Running as unit: rb-build-arm64_7-37883.service ==================================================================================== Sat Sep 28 07:55:32 UTC 2024 - running /srv/jenkins/bin/reproducible_build.sh (for job reproducible_builder_arm64_7) on jenkins, called using "codethink02-arm64 codethink03-arm64" as arguments. Sat Sep 28 07:55:32 UTC 2024 - actually running "reproducible_build.sh" (md5sum 79f74068471242981be9b3b00196cbfb) as "/tmp/jenkins-script-KWVyjNUG" $ git clone https://salsa.debian.org/qa/jenkins.debian.net.git ; more CONTRIBUTING Sat Sep 28 07:55:32 UTC 2024 - checking /var/lib/jenkins/offline_nodes if codethink02-arm64.debian.net is marked as down. Sat Sep 28 07:55:32 UTC 2024 - checking via ssh if codethink02-arm64.debian.net is up. removed '/tmp/read-only-fs-test-uI1ibF' Sat Sep 28 07:55:33 UTC 2024 - checking /var/lib/jenkins/offline_nodes if codethink03-arm64.debian.net is marked as down. Sat Sep 28 07:55:33 UTC 2024 - checking via ssh if codethink03-arm64.debian.net is up. removed '/tmp/read-only-fs-test-sV3Mtf' ok, let's check if meep is building anywhere yet… ok, meep is not building anywhere… UPDATE 1 ============================================================================= Initialising reproducibly build of meep in trixie on arm64 on jenkins now. 1st build will be done on codethink02-arm64.debian.net. 2nd build will be done on codethink03-arm64.debian.net. ============================================================================= Sat Sep 28 07:55:54 UTC 2024 I: starting to build meep/trixie/arm64 on jenkins on '2024-09-28 07:55' Sat Sep 28 07:55:54 UTC 2024 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/arm64_7/37883/console.log 1727510154 arm64 trixie meep Sat Sep 28 07:55:54 UTC 2024 I: Downloading source for trixie/meep=1.25.0-4 --2024-09-28 07:55:55-- http://deb.debian.org/debian/pool/main/m/meep/meep_1.25.0-4.dsc Connecting to 46.16.76.132:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 2471 (2.4K) [text/prs.lines.tag] Saving to: ‘meep_1.25.0-4.dsc’ 0K .. 100% 245M=0s 2024-09-28 07:55:55 (245 MB/s) - ‘meep_1.25.0-4.dsc’ saved [2471/2471] --2024-09-28 07:55:55-- http://deb.debian.org/debian/pool/main/m/meep/meep_1.25.0-4.dsc Connecting to 46.16.76.132:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 2471 (2.4K) [text/prs.lines.tag] Saving to: ‘meep_1.25.0-4.dsc’ 0K .. 100% 245M=0s 2024-09-28 07:55:55 (245 MB/s) - ‘meep_1.25.0-4.dsc’ saved [2471/2471] Sat Sep 28 07:55:55 UTC 2024 I: meep_1.25.0-4.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: meep Binary: meep, libmeep30, libmeep-dev, python3-meep Architecture: any Version: 1.25.0-4 Maintainer: Thorsten Alteholz Homepage: https://meep.readthedocs.io Standards-Version: 4.7.0 Vcs-Browser: https://salsa.debian.org/alteholz/meep Vcs-Git: https://salsa.debian.org/alteholz/meep.git Testsuite: autopkgtest-pkg-python Build-Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev Package-List: libmeep-dev deb libdevel optional arch=any libmeep30 deb libs optional arch=any meep deb science optional arch=any python3-meep deb python optional arch=any Checksums-Sha1: 33657036ec39fb9b0c853ac3f0d6953ba348cccd 37873868 meep_1.25.0.orig.tar.gz 300a9845cbe054277ce44a22834fb5c34f76f757 143720 meep_1.25.0-4.debian.tar.xz Checksums-Sha256: 3e5d6c6ef69a8cc7810bdd6d681ae494bfe7a4e91041abe5494f5c8a82d02e6f 37873868 meep_1.25.0.orig.tar.gz 0e354fac28f6b8686a22da2b08576113e6169f4c8d7364d079edd9812f782830 143720 meep_1.25.0-4.debian.tar.xz Files: b37b924379d3a16a2632f7b3f6bdf79b 37873868 meep_1.25.0.orig.tar.gz 2309f78b5aba851014a0341e6946cd31 143720 meep_1.25.0-4.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQKnBAEBCgCRFiEEYgH7/9u94Hgi6ruWlvysDTh7WEcFAmamLJFfFIAAAAAALgAo aXNzdWVyLWZwckBub3RhdGlvbnMub3BlbnBncC5maWZ0aGhvcnNlbWFuLm5ldDYy MDFGQkZGREJCREUwNzgyMkVBQkI5Njk2RkNBQzBEMzg3QjU4NDcTHGRlYmlhbkBh bHRlaG9sei5kZQAKCRCW/KwNOHtYR+UREAC++6IedYeCLwDgfCNM1heKxM18oVWf wJI5ujQ+Y1aLKD9/Bfs6MNMoIQUXLhmdoW4EQ9ZVV0NPnItQUVqjPOFmP1dUVUZR LzgFD1VyeUIh+5qZem2YeG2x0uTI+eyIe9mDDGHLW+T8cfb6PF4DvwuM+WQzc2Jn 1aASyI7pwEDkLMVYbfJGXVFgENHWmXqs5MdRTnt1nzzSFjwHTxANf13ulSDVh1OQ n0qkZ2lZQ/+8tpfbHYDDeGzX9I7KmHJs1qteEQPeWCO4rLDRW9LltA9BDENrvexc Al8IrX+IHwGI/6QZLBkFwTHX2JgTosQHwgLWwynjg8yEP/qP7D5z6OlrnxTowAAs X04YXi0PDpipSNxoe3YrskB9Y2gQfup3xF6yhqXy3BRB8GrmWvIlKhi7DKblfPBb j8La+Vl8rami9QiX7A2e5+Dr3iB0TNXubHjO2ktJaerulmnbxeZ6VH3iVpgZXzVk yfqSmmMkQq28ku3V3QXqz6CfISrLQpRcwYpBqn3KMfdKEN0s/52s/qFnlSKoRNy5 kFgaD8ivMjEJgptFWb/gOBOAiqlUhPuEG8n5NwOGWTch2mFmkqk1GwWwFcRtr9tF +tg5KlM1YuGoA38Ydm2Nt1lVVkXfLJTMllKDr/LKa8T8vrtrm4DYJtuuPTJJQUEW gav5ugq2NMvulw== =NZoP -----END PGP SIGNATURE----- Sat Sep 28 07:55:55 UTC 2024 I: Checking whether the package is not for us Sat Sep 28 07:55:55 UTC 2024 I: Starting 1st build on remote node codethink02-arm64.debian.net. Sat Sep 28 07:55:55 UTC 2024 I: Preparing to do remote build '1' on codethink02-arm64.debian.net. Sat Sep 28 07:55:55 UTC 2024 - checking /var/lib/jenkins/offline_nodes if codethink02-arm64.debian.net is marked as down. Sat Sep 28 07:55:55 UTC 2024 - checking via ssh if codethink02-arm64.debian.net is up. removed '/tmp/read-only-fs-test-GLyjL5' ==================================================================================== Sat Sep 28 07:55:56 UTC 2024 - running /srv/jenkins/bin/reproducible_build.sh (for job /srv/jenkins/bin/reproducible_build.sh) on codethink02-arm64, called using "1 meep trixie /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH 1.25.0-4" as arguments. Sat Sep 28 07:55:56 UTC 2024 - actually running "reproducible_build.sh" (md5sum 79f74068471242981be9b3b00196cbfb) as "/tmp/jenkins-script-NDvWzKjC" $ git clone https://salsa.debian.org/qa/jenkins.debian.net.git ; more CONTRIBUTING Sat Sep 28 07:55:56 UTC 2024 I: Downloading source for trixie/meep=1.25.0-4 Reading package lists... NOTICE: 'meep' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/alteholz/meep.git Please use: git clone https://salsa.debian.org/alteholz/meep.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 38.0 MB of source archives. Get:1 http://deb.debian.org/debian trixie/main meep 1.25.0-4 (dsc) [2471 B] Get:2 http://deb.debian.org/debian trixie/main meep 1.25.0-4 (tar) [37.9 MB] Get:3 http://deb.debian.org/debian trixie/main meep 1.25.0-4 (diff) [144 kB] Fetched 38.0 MB in 1s (49.8 MB/s) Download complete and in download only mode Reading package lists... NOTICE: 'meep' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/alteholz/meep.git Please use: git clone https://salsa.debian.org/alteholz/meep.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 38.0 MB of source archives. Get:1 http://deb.debian.org/debian trixie/main meep 1.25.0-4 (dsc) [2471 B] Get:2 http://deb.debian.org/debian trixie/main meep 1.25.0-4 (tar) [37.9 MB] Get:3 http://deb.debian.org/debian trixie/main meep 1.25.0-4 (diff) [144 kB] Fetched 38.0 MB in 1s (49.8 MB/s) Download complete and in download only mode ============================================================================= Building meep in trixie on arm64 on codethink02-arm64 now. Date: Sat Sep 28 08:55:57 BST 2024 Date UTC: Sat Sep 28 07:55:57 UTC 2024 ============================================================================= W: /root/.pbuilderrc does not exist I: Logging to b1/build.log I: pbuilder: network access will be disabled during build I: Current time: Fri Sep 27 19:55:58 -12 2024 I: pbuilder-time-stamp: 1727510158 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [meep_1.25.0-4.dsc] I: copying [./meep_1.25.0.orig.tar.gz] I: copying [./meep_1.25.0-4.debian.tar.xz] I: Extracting source gpgv: Signature made Sun Jul 28 11:33:37 2024 gpgv: using RSA key 6201FBFFDBBDE07822EABB9696FCAC0D387B5847 gpgv: issuer "debian@alteholz.de" gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./meep_1.25.0-4.dsc: no acceptable signature found dpkg-source: info: extracting meep in meep-1.25.0 dpkg-source: info: unpacking meep_1.25.0.orig.tar.gz dpkg-source: info: unpacking meep_1.25.0-4.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying python-distutils.patch dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/2107519/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='arm64' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' DISTRIBUTION='trixie' HOME='/root' HOST_ARCH='arm64' IFS=' ' INVOCATION_ID='de1cd10e2c4945d89e5243194fd0addd' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='2107519' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/pbuilderrc_FNIO --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b1 --logfile b1/build.log meep_1.25.0-4.dsc' SUDO_GID='109' SUDO_UID='104' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://192.168.101.4:3128' I: uname -a Linux codethink02-arm64 6.1.0-25-cloud-arm64 #1 SMP Debian 6.1.106-3 (2024-08-26) aarch64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin I: user script /srv/workspace/pbuilder/2107519/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: arm64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19900 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on quilt; however: Package quilt is not installed. pbuilder-satisfydepends-dummy depends on libctl-dev (>= 4.5.0-8); however: Package libctl-dev is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on libharminv-dev (>= 1.4.1); however: Package libharminv-dev is not installed. pbuilder-satisfydepends-dummy depends on zlib1g-dev; however: Package zlib1g-dev is not installed. pbuilder-satisfydepends-dummy depends on libfftw3-dev; however: Package libfftw3-dev is not installed. pbuilder-satisfydepends-dummy depends on libgsl-dev; however: Package libgsl-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on chrpath; however: Package chrpath is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libhdf5-dev; however: Package libhdf5-dev is not installed. pbuilder-satisfydepends-dummy depends on swig; however: Package swig is not installed. pbuilder-satisfydepends-dummy depends on mpb-dev (>= 1.11.1-2); however: Package mpb-dev is not installed. pbuilder-satisfydepends-dummy depends on mpb; however: Package mpb is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy; however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-h5py; however: Package python3-h5py is not installed. pbuilder-satisfydepends-dummy depends on python3-scipy; however: Package python3-scipy is not installed. pbuilder-satisfydepends-dummy depends on python3-matplotlib; however: Package python3-matplotlib is not installed. pbuilder-satisfydepends-dummy depends on python3-setuptools; however: Package python3-setuptools is not installed. pbuilder-satisfydepends-dummy depends on libgdsii-dev; however: Package libgdsii-dev is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} blt{a} bsdextrautils{a} chrpath{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} diffstat{a} dwz{a} ed{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lyx{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-aarch64-linux-gnu{a} gfortran-aarch64-linux-gnu{a} groff-base{a} guile-3.0{a} guile-3.0-dev{a} guile-3.0-libs{a} hdf5-helpers{a} ibverbs-providers{a} intltool-debian{a} libaec-dev{a} libaec0{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli-dev{a} libbrotli1{a} libcom-err2{a} libctl-dev{a} libctl7t64{a} libcurl4-openssl-dev{a} libcurl4t64{a} libdebhelper-perl{a} libdeflate0{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-single3{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libfribidi0{a} libgc-dev{a} libgc1{a} libgdsii-dev{a} libgdsii0{a} libgfortran-14-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgmp-dev{a} libgmpxx4ldbl{a} libgnutls-dane0t64{a} libgnutls-openssl27t64{a} libgnutls28-dev{a} libgraphite2-3{a} libgsl-dev{a} libgsl28{a} libgslcblas0{a} libgssapi-krb5-2{a} libharfbuzz0b{a} libharminv-dev{a} libharminv3{a} libhdf5-103-1t64{a} libhdf5-cpp-103-1t64{a} libhdf5-dev{a} libhdf5-fortran-102t64{a} libhdf5-hl-100t64{a} libhdf5-hl-cpp-100t64{a} libhdf5-hl-fortran-100t64{a} libhdf5-openmpi-103-1t64{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs1{a} libicu72{a} libidn2-dev{a} libimagequant0{a} libjbig0{a} libjpeg-dev{a} libjpeg62-turbo{a} libjpeg62-turbo-dev{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} liblbfgsb0{a} liblcms2-2{a} libldap-2.5-0{a} liblerc4{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} liblzf1{a} libmagic-mgc{a} libmagic1t64{a} libmunge2{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libnghttp2-dev{a} libnl-3-200{a} libnl-route-3-200{a} libnsl2{a} libnuma1{a} libopenjp2-7{a} libopenmpi3t64{a} libp11-kit-dev{a} libpciaccess0{a} libpipeline1{a} libpkgconf3{a} libpmix2t64{a} libpng16-16t64{a} libpsl-dev{a} libpsl5t64{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.12-dev{a} libpython3.12-minimal{a} libpython3.12-stdlib{a} libpython3.12t64{a} libqhull-r8.0{a} libraqm0{a} librdmacm1t64{a} libreadline-dev{a} libreadline8t64{a} librtmp-dev{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsharpyuv0{a} libssh2-1-dev{a} libssh2-1t64{a} libssl-dev{a} libsz2{a} libtasn1-6-dev{a} libtcl8.6{a} libtiff6{a} libtirpc-common{a} libtirpc3t64{a} libtk8.6{a} libtool{a} libuchardet0{a} libucx0{a} libunbound8{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxft2{a} libxml2{a} libxnvctrl0{a} libxrender1{a} libxslt1.1{a} libxss1{a} libz3-4{a} libzstd-dev{a} m4{a} man-db{a} media-types{a} mpb{a} mpb-dev{a} mpb-scm{a} netbase{a} nettle-dev{a} ocl-icd-libopencl1{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python-matplotlib-data{a} python3{a} python3-appdirs{a} python3-attr{a} python3-autocommand{a} python3-brotli{a} python3-contourpy{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-dev{a} python3-fonttools{a} python3-fs{a} python3-h5py{a} python3-h5py-serial{a} python3-inflect{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-kiwisolver{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-minimal{a} python3-more-itertools{a} python3-mpmath{a} python3-numpy{a} python3-packaging{a} python3-pil{a} python3-pil.imagetk{a} python3-pkg-resources{a} python3-pyparsing{a} python3-scipy{a} python3-setuptools{a} python3-six{a} python3-sympy{a} python3-tk{a} python3-typeguard{a} python3-typing-extensions{a} python3-tz{a} python3-ufolib2{a} python3-unicodedata2{a} python3-zipp{a} python3.12{a} python3.12-dev{a} python3.12-minimal{a} python3.12-tk{a} python3.13-tk{a} quilt{a} readline-common{a} sensible-utils{a} swig{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} x11-common{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl h5utils isympy-common javascript-common krb5-locales less libarchive-cpio-perl libctl-doc libglib2.0-data libgpm2 libldap-common libmail-sendmail-perl libsasl2-modules libtasn1-doc lynx publicsuffix python3-bs4 python3-cssselect python3-html5lib python3-olefile shared-mime-info wget xdg-user-dirs 0 packages upgraded, 263 newly installed, 0 to remove and 0 not upgraded. Need to get 197 MB of archives. After unpacking 899 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian trixie/main arm64 libpython3.12-minimal arm64 3.12.6-1 [806 kB] Get: 2 http://deb.debian.org/debian trixie/main arm64 libexpat1 arm64 2.6.3-1 [90.2 kB] Get: 3 http://deb.debian.org/debian trixie/main arm64 python3.12-minimal arm64 3.12.6-1 [1935 kB] Get: 4 http://deb.debian.org/debian trixie/main arm64 python3-minimal arm64 3.12.5-1+b1 [26.9 kB] Get: 5 http://deb.debian.org/debian trixie/main arm64 media-types all 10.1.0 [26.9 kB] Get: 6 http://deb.debian.org/debian trixie/main arm64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian trixie/main arm64 tzdata all 2024a-4 [255 kB] Get: 8 http://deb.debian.org/debian trixie/main arm64 libkrb5support0 arm64 1.21.3-3 [32.1 kB] Get: 9 http://deb.debian.org/debian trixie/main arm64 libcom-err2 arm64 1.47.1-1 [22.8 kB] Get: 10 http://deb.debian.org/debian trixie/main arm64 libk5crypto3 arm64 1.21.3-3 [80.8 kB] Get: 11 http://deb.debian.org/debian trixie/main arm64 libkeyutils1 arm64 1.6.3-3 [9112 B] Get: 12 http://deb.debian.org/debian trixie/main arm64 libkrb5-3 arm64 1.21.3-3 [310 kB] Get: 13 http://deb.debian.org/debian trixie/main arm64 libgssapi-krb5-2 arm64 1.21.3-3 [126 kB] Get: 14 http://deb.debian.org/debian trixie/main arm64 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get: 15 http://deb.debian.org/debian trixie/main arm64 libtirpc3t64 arm64 1.3.4+ds-1.3 [78.4 kB] Get: 16 http://deb.debian.org/debian trixie/main arm64 libnsl2 arm64 1.3.0-3+b2 [37.7 kB] Get: 17 http://deb.debian.org/debian trixie/main arm64 readline-common all 8.2-5 [69.3 kB] Get: 18 http://deb.debian.org/debian trixie/main arm64 libreadline8t64 arm64 8.2-5 [159 kB] Get: 19 http://deb.debian.org/debian trixie/main arm64 libpython3.12-stdlib arm64 3.12.6-1 [1898 kB] Get: 20 http://deb.debian.org/debian trixie/main arm64 python3.12 arm64 3.12.6-1 [669 kB] Get: 21 http://deb.debian.org/debian trixie/main arm64 libpython3-stdlib arm64 3.12.5-1+b1 [9872 B] Get: 22 http://deb.debian.org/debian trixie/main arm64 python3 arm64 3.12.5-1+b1 [27.9 kB] Get: 23 http://deb.debian.org/debian trixie/main arm64 sensible-utils all 0.0.24 [24.8 kB] Get: 24 http://deb.debian.org/debian trixie/main arm64 libmagic-mgc arm64 1:5.45-3 [314 kB] Get: 25 http://deb.debian.org/debian trixie/main arm64 libmagic1t64 arm64 1:5.45-3 [100 kB] Get: 26 http://deb.debian.org/debian trixie/main arm64 file arm64 1:5.45-3 [43.0 kB] Get: 27 http://deb.debian.org/debian trixie/main arm64 gettext-base arm64 0.22.5-2 [198 kB] Get: 28 http://deb.debian.org/debian trixie/main arm64 libuchardet0 arm64 0.0.8-1+b1 [69.0 kB] Get: 29 http://deb.debian.org/debian trixie/main arm64 groff-base arm64 1.23.0-5 [1129 kB] Get: 30 http://deb.debian.org/debian trixie/main arm64 bsdextrautils arm64 2.40.2-8 [96.6 kB] Get: 31 http://deb.debian.org/debian trixie/main arm64 libpipeline1 arm64 1.5.8-1 [40.2 kB] Get: 32 http://deb.debian.org/debian trixie/main arm64 man-db arm64 2.13.0-1 [1404 kB] Get: 33 http://deb.debian.org/debian trixie/main arm64 m4 arm64 1.4.19-4 [277 kB] Get: 34 http://deb.debian.org/debian trixie/main arm64 autoconf all 2.72-3 [493 kB] Get: 35 http://deb.debian.org/debian trixie/main arm64 autotools-dev all 20220109.1 [51.6 kB] Get: 36 http://deb.debian.org/debian trixie/main arm64 automake all 1:1.16.5-1.3 [823 kB] Get: 37 http://deb.debian.org/debian trixie/main arm64 autopoint all 0.22.5-2 [723 kB] Get: 38 http://deb.debian.org/debian trixie/main arm64 libtcl8.6 arm64 8.6.14+dfsg-1 [975 kB] Get: 39 http://deb.debian.org/debian trixie/main arm64 libbrotli1 arm64 1.1.0-2+b4 [292 kB] Get: 40 http://deb.debian.org/debian trixie/main arm64 libpng16-16t64 arm64 1.6.44-1 [272 kB] Get: 41 http://deb.debian.org/debian trixie/main arm64 libfreetype6 arm64 2.13.3+dfsg-1 [422 kB] Get: 42 http://deb.debian.org/debian trixie/main arm64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 43 http://deb.debian.org/debian trixie/main arm64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 44 http://deb.debian.org/debian trixie/main arm64 fontconfig-config arm64 2.15.0-1.1 [317 kB] Get: 45 http://deb.debian.org/debian trixie/main arm64 libfontconfig1 arm64 2.15.0-1.1 [385 kB] Get: 46 http://deb.debian.org/debian trixie/main arm64 libxau6 arm64 1:1.0.9-1+b1 [18.1 kB] Get: 47 http://deb.debian.org/debian trixie/main arm64 libxdmcp6 arm64 1:1.1.2-3+b1 [24.3 kB] Get: 48 http://deb.debian.org/debian trixie/main arm64 libxcb1 arm64 1.17.0-2 [143 kB] Get: 49 http://deb.debian.org/debian trixie/main arm64 libx11-data all 2:1.8.7-1 [328 kB] Get: 50 http://deb.debian.org/debian trixie/main arm64 libx11-6 arm64 2:1.8.7-1+b1 [775 kB] Get: 51 http://deb.debian.org/debian trixie/main arm64 libxrender1 arm64 1:0.9.10-1.1+b1 [27.0 kB] Get: 52 http://deb.debian.org/debian trixie/main arm64 libxft2 arm64 2.3.6-1+b1 [51.0 kB] Get: 53 http://deb.debian.org/debian trixie/main arm64 libxext6 arm64 2:1.3.4-1+b1 [51.7 kB] Get: 54 http://deb.debian.org/debian trixie/main arm64 x11-common all 1:7.7+23.1 [216 kB] Get: 55 http://deb.debian.org/debian trixie/main arm64 libxss1 arm64 1:1.2.3-1+b1 [17.0 kB] Get: 56 http://deb.debian.org/debian trixie/main arm64 libtk8.6 arm64 8.6.15-1 [738 kB] Get: 57 http://deb.debian.org/debian trixie/main arm64 tk8.6-blt2.5 arm64 2.5.3+dfsg-7 [533 kB] Get: 58 http://deb.debian.org/debian trixie/main arm64 blt arm64 2.5.3+dfsg-7 [6024 B] Get: 59 http://deb.debian.org/debian trixie/main arm64 chrpath arm64 0.16-2+b1 [16.0 kB] Get: 60 http://deb.debian.org/debian trixie/main arm64 libdebhelper-perl all 13.20 [89.7 kB] Get: 61 http://deb.debian.org/debian trixie/main arm64 libtool all 2.4.7-7 [517 kB] Get: 62 http://deb.debian.org/debian trixie/main arm64 dh-autoreconf all 20 [17.1 kB] Get: 63 http://deb.debian.org/debian trixie/main arm64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 64 http://deb.debian.org/debian trixie/main arm64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 65 http://deb.debian.org/debian trixie/main arm64 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 66 http://deb.debian.org/debian trixie/main arm64 libelf1t64 arm64 0.191-2 [188 kB] Get: 67 http://deb.debian.org/debian trixie/main arm64 dwz arm64 0.15-1+b1 [102 kB] Get: 68 http://deb.debian.org/debian trixie/main arm64 libicu72 arm64 72.1-5 [9224 kB] Get: 69 http://deb.debian.org/debian trixie/main arm64 libxml2 arm64 2.12.7+dfsg+really2.9.14-0.1 [630 kB] Get: 70 http://deb.debian.org/debian trixie/main arm64 gettext arm64 0.22.5-2 [1532 kB] Get: 71 http://deb.debian.org/debian trixie/main arm64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 72 http://deb.debian.org/debian trixie/main arm64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 73 http://deb.debian.org/debian trixie/main arm64 debhelper all 13.20 [915 kB] Get: 74 http://deb.debian.org/debian trixie/main arm64 diffstat arm64 1.66-1 [31.6 kB] Get: 75 http://deb.debian.org/debian trixie/main arm64 ed arm64 1.20.2-2 [59.4 kB] Get: 76 http://deb.debian.org/debian trixie/main arm64 fonts-lyx all 2.4.1-2 [189 kB] Get: 77 http://deb.debian.org/debian trixie/main arm64 libgfortran5 arm64 14.2.0-3 [362 kB] Get: 78 http://deb.debian.org/debian trixie/main arm64 libgfortran-14-dev arm64 14.2.0-3 [418 kB] Get: 79 http://deb.debian.org/debian trixie/main arm64 gfortran-14-aarch64-linux-gnu arm64 14.2.0-3 [9793 kB] Get: 80 http://deb.debian.org/debian trixie/main arm64 gfortran-14 arm64 14.2.0-3 [11.8 kB] Get: 81 http://deb.debian.org/debian trixie/main arm64 gfortran-aarch64-linux-gnu arm64 4:14.1.0-2 [1288 B] Get: 82 http://deb.debian.org/debian trixie/main arm64 gfortran arm64 4:14.1.0-2 [1436 B] Get: 83 http://deb.debian.org/debian trixie/main arm64 libgc1 arm64 1:8.2.8-1 [241 kB] Get: 84 http://deb.debian.org/debian trixie/main arm64 guile-3.0-libs arm64 3.0.10+really3.0.9-1 [6596 kB] Get: 85 http://deb.debian.org/debian trixie/main arm64 guile-3.0 arm64 3.0.10+really3.0.9-1 [21.1 kB] Get: 86 http://deb.debian.org/debian trixie/main arm64 libncurses6 arm64 6.5-2 [95.7 kB] Get: 87 http://deb.debian.org/debian trixie/main arm64 libncurses-dev arm64 6.5-2 [337 kB] Get: 88 http://deb.debian.org/debian trixie/main arm64 libreadline-dev arm64 8.2-5 [155 kB] Get: 89 http://deb.debian.org/debian trixie/main arm64 libltdl7 arm64 2.4.7-7+b1 [393 kB] Get: 90 http://deb.debian.org/debian trixie/main arm64 libltdl-dev arm64 2.4.7-7+b1 [165 kB] Get: 91 http://deb.debian.org/debian trixie/main arm64 libgmpxx4ldbl arm64 2:6.3.0+dfsg-2+b1 [329 kB] Get: 92 http://deb.debian.org/debian trixie/main arm64 libgmp-dev arm64 2:6.3.0+dfsg-2+b1 [619 kB] Get: 93 http://deb.debian.org/debian trixie/main arm64 libgc-dev arm64 1:8.2.8-1 [415 kB] Get: 94 http://deb.debian.org/debian trixie/main arm64 libpkgconf3 arm64 1.8.1-3 [35.3 kB] Get: 95 http://deb.debian.org/debian trixie/main arm64 pkgconf-bin arm64 1.8.1-3 [29.4 kB] Get: 96 http://deb.debian.org/debian trixie/main arm64 pkgconf arm64 1.8.1-3 [26.0 kB] Get: 97 http://deb.debian.org/debian trixie/main arm64 guile-3.0-dev arm64 3.0.10+really3.0.9-1 [150 kB] Get: 98 http://deb.debian.org/debian trixie/main arm64 hdf5-helpers arm64 1.10.10+repack-4 [23.5 kB] Get: 99 http://deb.debian.org/debian trixie/main arm64 libnl-3-200 arm64 3.7.0-0.3 [56.5 kB] Get: 100 http://deb.debian.org/debian trixie/main arm64 libnl-route-3-200 arm64 3.7.0-0.3 [165 kB] Get: 101 http://deb.debian.org/debian trixie/main arm64 libibverbs1 arm64 52.0-2 [58.2 kB] Get: 102 http://deb.debian.org/debian trixie/main arm64 ibverbs-providers arm64 52.0-2 [316 kB] Get: 103 http://deb.debian.org/debian trixie/main arm64 libaec0 arm64 1.1.3-1 [22.1 kB] Get: 104 http://deb.debian.org/debian trixie/main arm64 libsz2 arm64 1.1.3-1 [7664 B] Get: 105 http://deb.debian.org/debian trixie/main arm64 libaec-dev arm64 1.1.3-1 [19.7 kB] Get: 106 http://deb.debian.org/debian trixie/main arm64 libedit2 arm64 3.1-20240808-1 [89.2 kB] Get: 107 http://deb.debian.org/debian trixie/main arm64 libz3-4 arm64 4.8.12-3.1+b2 [6508 kB] Get: 108 http://deb.debian.org/debian trixie/main arm64 libllvm17t64 arm64 1:17.0.6-18 [21.3 MB] Get: 109 http://deb.debian.org/debian trixie/main arm64 libamd-comgr2 arm64 6.0+git20231212.4510c28+dfsg-3+b1 [12.1 MB] Get: 110 http://deb.debian.org/debian trixie/main arm64 libdrm-common all 2.4.123-1 [8084 B] Get: 111 http://deb.debian.org/debian trixie/main arm64 libdrm2 arm64 2.4.123-1 [38.0 kB] Get: 112 http://deb.debian.org/debian trixie/main arm64 libdrm-amdgpu1 arm64 2.4.123-1 [21.6 kB] Get: 113 http://deb.debian.org/debian trixie/main arm64 libnuma1 arm64 2.0.18-1 [21.4 kB] Get: 114 http://deb.debian.org/debian trixie/main arm64 libhsakmt1 arm64 5.7.0-1 [57.6 kB] Get: 115 http://deb.debian.org/debian trixie/main arm64 libhsa-runtime64-1 arm64 5.7.1-3 [278 kB] Get: 116 http://deb.debian.org/debian trixie/main arm64 libamdhip64-5 arm64 5.7.1-3 [8698 kB] Get: 117 http://deb.debian.org/debian trixie/main arm64 libblas3 arm64 3.12.0-3 [91.7 kB] Get: 118 http://deb.debian.org/debian trixie/main arm64 libblas-dev arm64 3.12.0-3 [98.2 kB] Get: 119 http://deb.debian.org/debian trixie/main arm64 libbrotli-dev arm64 1.1.0-2+b4 [308 kB] Get: 120 http://deb.debian.org/debian trixie/main arm64 libctl7t64 arm64 4.5.1-3 [104 kB] Get: 121 http://deb.debian.org/debian trixie/main arm64 libctl-dev arm64 4.5.1-3 [101 kB] Get: 122 http://deb.debian.org/debian trixie/main arm64 libsasl2-modules-db arm64 2.1.28+dfsg1-8 [20.0 kB] Get: 123 http://deb.debian.org/debian trixie/main arm64 libsasl2-2 arm64 2.1.28+dfsg1-8 [55.4 kB] Get: 124 http://deb.debian.org/debian trixie/main arm64 libldap-2.5-0 arm64 2.5.18+dfsg-3 [174 kB] Get: 125 http://deb.debian.org/debian trixie/main arm64 libnghttp2-14 arm64 1.63.0-1 [71.2 kB] Get: 126 http://deb.debian.org/debian trixie/main arm64 libpsl5t64 arm64 0.21.2-1.1 [56.8 kB] Get: 127 http://deb.debian.org/debian trixie/main arm64 librtmp1 arm64 2.4+20151223.gitfa8646d.1-2+b4 [56.7 kB] Get: 128 http://deb.debian.org/debian trixie/main arm64 libssh2-1t64 arm64 1.11.0-7 [208 kB] Get: 129 http://deb.debian.org/debian trixie/main arm64 libcurl4t64 arm64 8.10.1-1 [322 kB] Get: 130 http://deb.debian.org/debian trixie/main arm64 libidn2-dev arm64 2.3.7-2 [122 kB] Get: 131 http://deb.debian.org/debian trixie/main arm64 libnghttp2-dev arm64 1.63.0-1 [112 kB] Get: 132 http://deb.debian.org/debian trixie/main arm64 libpsl-dev arm64 0.21.2-1.1 [77.7 kB] Get: 133 http://deb.debian.org/debian trixie/main arm64 libevent-2.1-7t64 arm64 2.1.12-stable-10 [169 kB] Get: 134 http://deb.debian.org/debian trixie/main arm64 libunbound8 arm64 1.20.0-1+b1 [542 kB] Get: 135 http://deb.debian.org/debian trixie/main arm64 libgnutls-dane0t64 arm64 3.8.6-2 [436 kB] Get: 136 http://deb.debian.org/debian trixie/main arm64 libgnutls-openssl27t64 arm64 3.8.6-2 [436 kB] Get: 137 http://deb.debian.org/debian trixie/main arm64 libp11-kit-dev arm64 0.25.5-2 [208 kB] Get: 138 http://deb.debian.org/debian trixie/main arm64 libtasn1-6-dev arm64 4.19.0-3+b2 [96.2 kB] Get: 139 http://deb.debian.org/debian trixie/main arm64 nettle-dev arm64 3.10-1 [1323 kB] Get: 140 http://deb.debian.org/debian trixie/main arm64 libgnutls28-dev arm64 3.8.6-2 [1394 kB] Get: 141 http://deb.debian.org/debian trixie/main arm64 zlib1g-dev arm64 1:1.3.dfsg+really1.3.1-1 [916 kB] Get: 142 http://deb.debian.org/debian trixie/main arm64 librtmp-dev arm64 2.4+20151223.gitfa8646d.1-2+b4 [67.3 kB] Get: 143 http://deb.debian.org/debian trixie/main arm64 libssl-dev arm64 3.3.2-1 [3185 kB] Get: 144 http://deb.debian.org/debian trixie/main arm64 libssh2-1-dev arm64 1.11.0-7 [353 kB] Get: 145 http://deb.debian.org/debian trixie/main arm64 libzstd-dev arm64 1.5.6+dfsg-1 [330 kB] Get: 146 http://deb.debian.org/debian trixie/main arm64 libcurl4-openssl-dev arm64 8.10.1-1 [447 kB] Get: 147 http://deb.debian.org/debian trixie/main arm64 libdeflate0 arm64 1.21-1 [42.2 kB] Get: 148 http://deb.debian.org/debian trixie/main arm64 libevent-core-2.1-7t64 arm64 2.1.12-stable-10 [125 kB] Get: 149 http://deb.debian.org/debian trixie/main arm64 libevent-pthreads-2.1-7t64 arm64 2.1.12-stable-10 [54.1 kB] Get: 150 http://deb.debian.org/debian trixie/main arm64 libexpat1-dev arm64 2.6.3-1 [142 kB] Get: 151 http://deb.debian.org/debian trixie/main arm64 librdmacm1t64 arm64 52.0-2 [66.5 kB] Get: 152 http://deb.debian.org/debian trixie/main arm64 libfabric1 arm64 1.17.0-3+b1 [479 kB] Get: 153 http://deb.debian.org/debian trixie/main arm64 libfftw3-double3 arm64 3.3.10-1+b3 [329 kB] Get: 154 http://deb.debian.org/debian trixie/main arm64 libfftw3-long3 arm64 3.3.10-1+b3 [533 kB] Get: 155 http://deb.debian.org/debian trixie/main arm64 libfftw3-single3 arm64 3.3.10-1+b3 [497 kB] Get: 156 http://deb.debian.org/debian trixie/main arm64 libfftw3-bin arm64 3.3.10-1+b3 [43.3 kB] Get: 157 http://deb.debian.org/debian trixie/main arm64 libfftw3-dev arm64 3.3.10-1+b3 [1214 kB] Get: 158 http://deb.debian.org/debian trixie/main arm64 libfribidi0 arm64 1.0.15-1 [71.8 kB] Get: 159 http://deb.debian.org/debian trixie/main arm64 libgdsii0 arm64 0.2+ds.1-1+b1 [29.3 kB] Get: 160 http://deb.debian.org/debian trixie/main arm64 libgdsii-dev arm64 0.2+ds.1-1+b1 [34.3 kB] Get: 161 http://deb.debian.org/debian trixie/main arm64 libglib2.0-0t64 arm64 2.82.1-1 [1410 kB] Get: 162 http://deb.debian.org/debian trixie/main arm64 libgraphite2-3 arm64 1.3.14-2 [69.2 kB] Get: 163 http://deb.debian.org/debian trixie/main arm64 libgslcblas0 arm64 2.8+dfsg-3 [84.0 kB] Get: 164 http://deb.debian.org/debian trixie/main arm64 libgsl28 arm64 2.8+dfsg-3 [880 kB] Get: 165 http://deb.debian.org/debian trixie/main arm64 libgsl-dev arm64 2.8+dfsg-3 [1119 kB] Get: 166 http://deb.debian.org/debian trixie/main arm64 libharfbuzz0b arm64 9.0.0-1 [441 kB] Get: 167 http://deb.debian.org/debian trixie/main arm64 liblapack3 arm64 3.12.0-3 [1757 kB] Get: 168 http://deb.debian.org/debian trixie/main arm64 libharminv3 arm64 1.4.2-1 [23.9 kB] Get: 169 http://deb.debian.org/debian trixie/main arm64 libharminv-dev arm64 1.4.2-1 [14.7 kB] Get: 170 http://deb.debian.org/debian trixie/main arm64 libhdf5-103-1t64 arm64 1.10.10+repack-4 [1050 kB] Get: 171 http://deb.debian.org/debian trixie/main arm64 libhdf5-cpp-103-1t64 arm64 1.10.10+repack-4 [118 kB] Get: 172 http://deb.debian.org/debian trixie/main arm64 libhdf5-fortran-102t64 arm64 1.10.10+repack-4 [88.1 kB] Get: 173 http://deb.debian.org/debian trixie/main arm64 libhdf5-hl-100t64 arm64 1.10.10+repack-4 [60.9 kB] Get: 174 http://deb.debian.org/debian trixie/main arm64 libhdf5-hl-fortran-100t64 arm64 1.10.10+repack-4 [39.0 kB] Get: 175 http://deb.debian.org/debian trixie/main arm64 libhdf5-hl-cpp-100t64 arm64 1.10.10+repack-4 [21.4 kB] Get: 176 http://deb.debian.org/debian trixie/main arm64 libjpeg62-turbo arm64 1:2.1.5-3 [172 kB] Get: 177 http://deb.debian.org/debian trixie/main arm64 libjpeg62-turbo-dev arm64 1:2.1.5-3 [292 kB] Get: 178 http://deb.debian.org/debian trixie/main arm64 libjpeg-dev arm64 1:2.1.5-3 [71.9 kB] Get: 179 http://deb.debian.org/debian trixie/main arm64 libhdf5-dev arm64 1.10.10+repack-4 [2697 kB] Get: 180 http://deb.debian.org/debian trixie/main arm64 libhwloc15 arm64 2.11.0-2 [140 kB] Get: 181 http://deb.debian.org/debian trixie/main arm64 libmunge2 arm64 0.5.15-4 [19.2 kB] Get: 182 http://deb.debian.org/debian trixie/main arm64 libpciaccess0 arm64 0.17-3+b1 [51.1 kB] Get: 183 http://deb.debian.org/debian trixie/main arm64 libxnvctrl0 arm64 535.171.04-1 [13.8 kB] Get: 184 http://deb.debian.org/debian trixie/main arm64 ocl-icd-libopencl1 arm64 2.3.2-1+b1 [39.3 kB] Get: 185 http://deb.debian.org/debian trixie/main arm64 libhwloc-plugins arm64 2.11.0-2 [17.8 kB] Get: 186 http://deb.debian.org/debian trixie/main arm64 libpmix2t64 arm64 5.0.3-2 [581 kB] Get: 187 http://deb.debian.org/debian trixie/main arm64 libibumad3 arm64 52.0-2 [26.9 kB] Get: 188 http://deb.debian.org/debian trixie/main arm64 libibmad5 arm64 52.0-2 [41.3 kB] Get: 189 http://deb.debian.org/debian trixie/main arm64 libucx0 arm64 1.17.0+ds-3 [959 kB] Get: 190 http://deb.debian.org/debian trixie/main arm64 libopenmpi3t64 arm64 4.1.6-13.3 [2170 kB] Get: 191 http://deb.debian.org/debian trixie/main arm64 libhdf5-openmpi-103-1t64 arm64 1.10.10+repack-4 [1095 kB] Get: 192 http://deb.debian.org/debian trixie/main arm64 libimagequant0 arm64 2.18.0-1+b1 [34.6 kB] Get: 193 http://deb.debian.org/debian trixie/main arm64 libjbig0 arm64 2.1-6.1+b1 [30.4 kB] Get: 194 http://deb.debian.org/debian trixie/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 195 http://deb.debian.org/debian trixie/main arm64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 196 http://deb.debian.org/debian trixie/main arm64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 197 http://deb.debian.org/debian trixie/main arm64 libjs-sphinxdoc all 7.4.7-3 [158 kB] Get: 198 http://deb.debian.org/debian trixie/main arm64 liblapack-dev arm64 3.12.0-3 [3584 kB] Get: 199 http://deb.debian.org/debian trixie/main arm64 liblbfgsb0 arm64 3.0+dfsg.4-1+b1 [25.0 kB] Get: 200 http://deb.debian.org/debian trixie/main arm64 liblcms2-2 arm64 2.14-2+b1 [144 kB] Get: 201 http://deb.debian.org/debian trixie/main arm64 liblerc4 arm64 4.0.0+ds-4+b1 [142 kB] Get: 202 http://deb.debian.org/debian trixie/main arm64 liblzf1 arm64 3.6-4+b1 [10.3 kB] Get: 203 http://deb.debian.org/debian trixie/main arm64 libopenjp2-7 arm64 2.5.0-2+b3 [177 kB] Get: 204 http://deb.debian.org/debian trixie/main arm64 libpython3.12t64 arm64 3.12.6-1 [1981 kB] Get: 205 http://deb.debian.org/debian trixie/main arm64 libpython3.12-dev arm64 3.12.6-1 [4782 kB] Get: 206 http://deb.debian.org/debian trixie/main arm64 libpython3-dev arm64 3.12.5-1+b1 [10.1 kB] Get: 207 http://deb.debian.org/debian trixie/main arm64 libqhull-r8.0 arm64 2020.2-6+b1 [226 kB] Get: 208 http://deb.debian.org/debian trixie/main arm64 libraqm0 arm64 0.10.1-1+b1 [13.7 kB] Get: 209 http://deb.debian.org/debian trixie/main arm64 libsharpyuv0 arm64 1.4.0-0.1 [111 kB] Get: 210 http://deb.debian.org/debian trixie/main arm64 libwebp7 arm64 1.4.0-0.1 [267 kB] Get: 211 http://deb.debian.org/debian trixie/main arm64 libtiff6 arm64 4.5.1+git230720-5 [309 kB] Get: 212 http://deb.debian.org/debian trixie/main arm64 libwebpdemux2 arm64 1.4.0-0.1 [110 kB] Get: 213 http://deb.debian.org/debian trixie/main arm64 libwebpmux3 arm64 1.4.0-0.1 [122 kB] Get: 214 http://deb.debian.org/debian trixie/main arm64 libxslt1.1 arm64 1.1.35-1.1 [221 kB] Get: 215 http://deb.debian.org/debian trixie/main arm64 mpb-scm all 1.11.1-6 [12.0 kB] Get: 216 http://deb.debian.org/debian trixie/main arm64 mpb arm64 1.11.1-6 [191 kB] Get: 217 http://deb.debian.org/debian trixie/main arm64 mpb-dev arm64 1.11.1-6 [8152 B] Get: 218 http://deb.debian.org/debian trixie/main arm64 python-matplotlib-data all 3.8.3-3 [2731 kB] Get: 219 http://deb.debian.org/debian trixie/main arm64 python3-appdirs all 1.4.4-4 [12.5 kB] Get: 220 http://deb.debian.org/debian trixie/main arm64 python3-attr all 23.2.0-2 [65.5 kB] Get: 221 http://deb.debian.org/debian trixie/main arm64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 222 http://deb.debian.org/debian trixie/main arm64 python3-brotli arm64 1.1.0-2+b4 [301 kB] Get: 223 http://deb.debian.org/debian trixie/main arm64 python3-more-itertools all 10.4.0-1 [63.7 kB] Get: 224 http://deb.debian.org/debian trixie/main arm64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 225 http://deb.debian.org/debian trixie/main arm64 python3-typeguard all 4.3.0-1 [36.5 kB] Get: 226 http://deb.debian.org/debian trixie/main arm64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 227 http://deb.debian.org/debian trixie/main arm64 python3-jaraco.context all 6.0.0-1 [7984 B] Get: 228 http://deb.debian.org/debian trixie/main arm64 python3-jaraco.functools all 4.0.2-1 [11.7 kB] Get: 229 http://deb.debian.org/debian trixie/main arm64 python3-pkg-resources all 74.1.2-2 [213 kB] Get: 230 http://deb.debian.org/debian trixie/main arm64 python3-numpy arm64 1:1.26.4+ds-11 [3351 kB] Get: 231 http://deb.debian.org/debian trixie/main arm64 python3-contourpy arm64 1.3.0-1 [187 kB] Get: 232 http://deb.debian.org/debian trixie/main arm64 python3-cycler all 0.12.1-1 [9496 B] Get: 233 http://deb.debian.org/debian trixie/main arm64 python3-six all 1.16.0-7 [16.4 kB] Get: 234 http://deb.debian.org/debian trixie/main arm64 python3-dateutil all 2.9.0-2 [79.4 kB] Get: 235 http://deb.debian.org/debian trixie/main arm64 python3-decorator all 5.1.1-5 [15.1 kB] Get: 236 http://deb.debian.org/debian trixie/main arm64 python3.12-dev arm64 3.12.6-1 [506 kB] Get: 237 http://deb.debian.org/debian trixie/main arm64 python3-dev arm64 3.12.5-1+b1 [26.1 kB] Get: 238 http://deb.debian.org/debian trixie/main arm64 python3-scipy arm64 1.13.1-5 [15.4 MB] Get: 239 http://deb.debian.org/debian trixie/main arm64 python3-ufolib2 all 0.16.0+dfsg1-1 [32.9 kB] Get: 240 http://deb.debian.org/debian trixie/main arm64 python3-mpmath all 1.3.0-1 [419 kB] Get: 241 http://deb.debian.org/debian trixie/main arm64 python3-sympy all 1.13.2-1 [4147 kB] Get: 242 http://deb.debian.org/debian trixie/main arm64 python3-tz all 2024.1-2 [30.9 kB] Get: 243 http://deb.debian.org/debian trixie/main arm64 python3-fs all 2.4.16-4 [95.4 kB] Get: 244 http://deb.debian.org/debian trixie/main arm64 python3-lxml arm64 5.3.0-1 [1096 kB] Get: 245 http://deb.debian.org/debian trixie/main arm64 python3-lz4 arm64 4.0.2+dfsg-1+b4 [25.1 kB] Get: 246 http://deb.debian.org/debian trixie/main arm64 python3-unicodedata2 arm64 15.1.0+ds-1+b2 [297 kB] Get: 247 http://deb.debian.org/debian trixie/main arm64 unicode-data all 15.1.0-1 [8547 kB] Get: 248 http://deb.debian.org/debian trixie/main arm64 python3-fonttools arm64 4.46.0-1+b1 [1319 kB] Get: 249 http://deb.debian.org/debian trixie/main arm64 python3-h5py-serial arm64 3.11.0-5 [887 kB] Get: 250 http://deb.debian.org/debian trixie/main arm64 python3-h5py all 3.11.0-5 [14.7 kB] Get: 251 http://deb.debian.org/debian trixie/main arm64 python3-kiwisolver arm64 1.4.5-1+b1 [55.1 kB] Get: 252 http://deb.debian.org/debian trixie/main arm64 python3-pil arm64 10.4.0-1 [480 kB] Get: 253 http://deb.debian.org/debian trixie/main arm64 python3.12-tk arm64 3.12.6-1 [110 kB] Get: 254 http://deb.debian.org/debian trixie/main arm64 python3.13-tk arm64 3.13.0~rc2-1 [101 kB] Get: 255 http://deb.debian.org/debian trixie/main arm64 python3-tk arm64 3.12.6-1 [9428 B] Get: 256 http://deb.debian.org/debian trixie/main arm64 python3-pil.imagetk arm64 10.4.0-1 [79.4 kB] Get: 257 http://deb.debian.org/debian trixie/main arm64 python3-pyparsing all 3.1.2-1 [146 kB] Get: 258 http://deb.debian.org/debian trixie/main arm64 python3-packaging all 24.1-1 [45.8 kB] Get: 259 http://deb.debian.org/debian trixie/main arm64 python3-matplotlib arm64 3.8.3-3 [5509 kB] Get: 260 http://deb.debian.org/debian trixie/main arm64 python3-zipp all 3.20.2-1 [10.3 kB] Get: 261 http://deb.debian.org/debian trixie/main arm64 python3-setuptools all 74.1.2-2 [736 kB] Get: 262 http://deb.debian.org/debian trixie/main arm64 quilt all 0.68-1 [437 kB] Get: 263 http://deb.debian.org/debian trixie/main arm64 swig arm64 4.2.1-1 [1350 kB] Fetched 197 MB in 2s (126 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:arm64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19900 files and directories currently installed.) Preparing to unpack .../libpython3.12-minimal_3.12.6-1_arm64.deb ... Unpacking libpython3.12-minimal:arm64 (3.12.6-1) ... Selecting previously unselected package libexpat1:arm64. Preparing to unpack .../libexpat1_2.6.3-1_arm64.deb ... Unpacking libexpat1:arm64 (2.6.3-1) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.6-1_arm64.deb ... Unpacking python3.12-minimal (3.12.6-1) ... Setting up libpython3.12-minimal:arm64 (3.12.6-1) ... Setting up libexpat1:arm64 (2.6.3-1) ... Setting up python3.12-minimal (3.12.6-1) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20220 files and directories currently installed.) Preparing to unpack .../00-python3-minimal_3.12.5-1+b1_arm64.deb ... Unpacking python3-minimal (3.12.5-1+b1) ... Selecting previously unselected package media-types. Preparing to unpack .../01-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../02-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../03-tzdata_2024a-4_all.deb ... Unpacking tzdata (2024a-4) ... Selecting previously unselected package libkrb5support0:arm64. Preparing to unpack .../04-libkrb5support0_1.21.3-3_arm64.deb ... Unpacking libkrb5support0:arm64 (1.21.3-3) ... Selecting previously unselected package libcom-err2:arm64. Preparing to unpack .../05-libcom-err2_1.47.1-1_arm64.deb ... Unpacking libcom-err2:arm64 (1.47.1-1) ... Selecting previously unselected package libk5crypto3:arm64. Preparing to unpack .../06-libk5crypto3_1.21.3-3_arm64.deb ... Unpacking libk5crypto3:arm64 (1.21.3-3) ... Selecting previously unselected package libkeyutils1:arm64. Preparing to unpack .../07-libkeyutils1_1.6.3-3_arm64.deb ... Unpacking libkeyutils1:arm64 (1.6.3-3) ... Selecting previously unselected package libkrb5-3:arm64. Preparing to unpack .../08-libkrb5-3_1.21.3-3_arm64.deb ... Unpacking libkrb5-3:arm64 (1.21.3-3) ... Selecting previously unselected package libgssapi-krb5-2:arm64. Preparing to unpack .../09-libgssapi-krb5-2_1.21.3-3_arm64.deb ... Unpacking libgssapi-krb5-2:arm64 (1.21.3-3) ... Selecting previously unselected package libtirpc-common. Preparing to unpack .../10-libtirpc-common_1.3.4+ds-1.3_all.deb ... Unpacking libtirpc-common (1.3.4+ds-1.3) ... Selecting previously unselected package libtirpc3t64:arm64. Preparing to unpack .../11-libtirpc3t64_1.3.4+ds-1.3_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3 to /lib/aarch64-linux-gnu/libtirpc.so.3.usr-is-merged by libtirpc3t64' Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3.0.0 to /lib/aarch64-linux-gnu/libtirpc.so.3.0.0.usr-is-merged by libtirpc3t64' Unpacking libtirpc3t64:arm64 (1.3.4+ds-1.3) ... Selecting previously unselected package libnsl2:arm64. Preparing to unpack .../12-libnsl2_1.3.0-3+b2_arm64.deb ... Unpacking libnsl2:arm64 (1.3.0-3+b2) ... Selecting previously unselected package readline-common. Preparing to unpack .../13-readline-common_8.2-5_all.deb ... Unpacking readline-common (8.2-5) ... Selecting previously unselected package libreadline8t64:arm64. Preparing to unpack .../14-libreadline8t64_8.2-5_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8 to /lib/aarch64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8.2 to /lib/aarch64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8 to /lib/aarch64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8.2 to /lib/aarch64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:arm64 (8.2-5) ... Selecting previously unselected package libpython3.12-stdlib:arm64. Preparing to unpack .../15-libpython3.12-stdlib_3.12.6-1_arm64.deb ... Unpacking libpython3.12-stdlib:arm64 (3.12.6-1) ... Selecting previously unselected package python3.12. Preparing to unpack .../16-python3.12_3.12.6-1_arm64.deb ... Unpacking python3.12 (3.12.6-1) ... Selecting previously unselected package libpython3-stdlib:arm64. Preparing to unpack .../17-libpython3-stdlib_3.12.5-1+b1_arm64.deb ... Unpacking libpython3-stdlib:arm64 (3.12.5-1+b1) ... Setting up python3-minimal (3.12.5-1+b1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21294 files and directories currently installed.) Preparing to unpack .../000-python3_3.12.5-1+b1_arm64.deb ... Unpacking python3 (3.12.5-1+b1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../001-sensible-utils_0.0.24_all.deb ... Unpacking sensible-utils (0.0.24) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../002-libmagic-mgc_1%3a5.45-3_arm64.deb ... Unpacking libmagic-mgc (1:5.45-3) ... Selecting previously unselected package libmagic1t64:arm64. Preparing to unpack .../003-libmagic1t64_1%3a5.45-3_arm64.deb ... Unpacking libmagic1t64:arm64 (1:5.45-3) ... Selecting previously unselected package file. Preparing to unpack .../004-file_1%3a5.45-3_arm64.deb ... Unpacking file (1:5.45-3) ... Selecting previously unselected package gettext-base. Preparing to unpack .../005-gettext-base_0.22.5-2_arm64.deb ... Unpacking gettext-base (0.22.5-2) ... Selecting previously unselected package libuchardet0:arm64. Preparing to unpack .../006-libuchardet0_0.0.8-1+b1_arm64.deb ... Unpacking libuchardet0:arm64 (0.0.8-1+b1) ... Selecting previously unselected package groff-base. Preparing to unpack .../007-groff-base_1.23.0-5_arm64.deb ... Unpacking groff-base (1.23.0-5) ... Selecting previously unselected package bsdextrautils. Preparing to unpack .../008-bsdextrautils_2.40.2-8_arm64.deb ... Unpacking bsdextrautils (2.40.2-8) ... Selecting previously unselected package libpipeline1:arm64. Preparing to unpack .../009-libpipeline1_1.5.8-1_arm64.deb ... Unpacking libpipeline1:arm64 (1.5.8-1) ... Selecting previously unselected package man-db. Preparing to unpack .../010-man-db_2.13.0-1_arm64.deb ... Unpacking man-db (2.13.0-1) ... Selecting previously unselected package m4. Preparing to unpack .../011-m4_1.4.19-4_arm64.deb ... Unpacking m4 (1.4.19-4) ... Selecting previously unselected package autoconf. Preparing to unpack .../012-autoconf_2.72-3_all.deb ... Unpacking autoconf (2.72-3) ... Selecting previously unselected package autotools-dev. Preparing to unpack .../013-autotools-dev_20220109.1_all.deb ... Unpacking autotools-dev (20220109.1) ... Selecting previously unselected package automake. Preparing to unpack .../014-automake_1%3a1.16.5-1.3_all.deb ... Unpacking automake (1:1.16.5-1.3) ... Selecting previously unselected package autopoint. Preparing to unpack .../015-autopoint_0.22.5-2_all.deb ... Unpacking autopoint (0.22.5-2) ... Selecting previously unselected package libtcl8.6:arm64. Preparing to unpack .../016-libtcl8.6_8.6.14+dfsg-1_arm64.deb ... Unpacking libtcl8.6:arm64 (8.6.14+dfsg-1) ... Selecting previously unselected package libbrotli1:arm64. Preparing to unpack .../017-libbrotli1_1.1.0-2+b4_arm64.deb ... Unpacking libbrotli1:arm64 (1.1.0-2+b4) ... Selecting previously unselected package libpng16-16t64:arm64. Preparing to unpack .../018-libpng16-16t64_1.6.44-1_arm64.deb ... Unpacking libpng16-16t64:arm64 (1.6.44-1) ... Selecting previously unselected package libfreetype6:arm64. Preparing to unpack .../019-libfreetype6_2.13.3+dfsg-1_arm64.deb ... Unpacking libfreetype6:arm64 (2.13.3+dfsg-1) ... 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Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: Running cd /build/reproducible-path/meep-1.25.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.25.0-4_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.25.0-4 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Thorsten Alteholz dpkg-source --before-build . dpkg-buildpackage: info: host architecture arm64 debian/rules clean dh clean --with autoreconf debian/rules override_dh_clean make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' # we do not need this anymore rm -f tests/latest_output dh_clean make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' debian/rules binary dh binary --with autoreconf dh_update_autotools_config dh_autoreconf libtoolize: putting auxiliary files in '.'. libtoolize: copying file './ltmain.sh' libtoolize: putting macros in AC_CONFIG_MACRO_DIRS, 'm4'. libtoolize: copying file 'm4/libtool.m4' libtoolize: copying file 'm4/ltoptions.m4' libtoolize: copying file 'm4/ltsugar.m4' libtoolize: copying file 'm4/ltversion.m4' libtoolize: copying file 'm4/lt~obsolete.m4' configure.ac:74: warning: The macro 'AC_TRY_COMPILE' is obsolete. configure.ac:74: You should run autoupdate. ./lib/autoconf/general.m4:2845: AC_TRY_COMPILE is expanded from... m4/ax_mpi.m4:69: AX_MPI is expanded from... configure.ac:74: the top level configure.ac:64: installing './compile' configure.ac:109: installing './config.guess' configure.ac:109: installing './config.sub' configure.ac:12: installing './install-sh' configure.ac:12: installing './missing' libpympb/Makefile.am: installing './depcomp' python/Makefile.am:234: installing './py-compile' parallel-tests: installing './test-driver' debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' # the latest patch is only needed on architectures without SSE or other special stuff if [ "arm64" = "i386" ] || \ [ "arm64" = "hurd-i386" ] ; then \ echo "all patches needed, do nothing here"; \ else \ echo "we don't need the last patch"; \ quilt pop; \ fi we don't need the last patch Removing patch debian/patches/i386-fix.patch Restoring src/mympi.cpp Now at patch debian/patches/python-distutils.patch F77=gfortran dh_auto_configure -- --host=aarch64-linux-gnu --build=aarch64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode ./configure --build=aarch64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/aarch64-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking --host=aarch64-linux-gnu --build=aarch64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane... yes checking for a race-free mkdir -p... /usr/bin/mkdir -p checking for gawk... no checking for mawk... mawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking whether make supports nested variables... (cached) yes checking whether to enable maintainer-specific portions of Makefiles... yes checking for aarch64-linux-gnu-gcc... aarch64-linux-gnu-gcc checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether the compiler supports GNU C... yes checking whether aarch64-linux-gnu-gcc accepts -g... yes checking for aarch64-linux-gnu-gcc option to enable C11 features... none needed checking whether aarch64-linux-gnu-gcc understands -c and -o together... yes checking whether make supports the include directive... yes (GNU style) checking dependency style of aarch64-linux-gnu-gcc... none checking for aarch64-linux-gnu-g++... aarch64-linux-gnu-g++ checking whether the compiler supports GNU C++... yes checking whether aarch64-linux-gnu-g++ accepts -g... yes checking for aarch64-linux-gnu-g++ option to enable C++11 features... none needed checking dependency style of aarch64-linux-gnu-g++... none checking whether aarch64-linux-gnu-g++ supports C++11 features by default... yes checking build system type... aarch64-unknown-linux-gnu checking host system type... aarch64-unknown-linux-gnu checking for C++ compiler vendor... gnu checking how to print strings... printf checking for a sed that does not truncate output... /usr/bin/sed checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for fgrep... /usr/bin/grep -F checking for ld used by aarch64-linux-gnu-gcc... /usr/bin/ld checking if the linker (/usr/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/aarch64-linux-gnu-nm -B checking the name lister (/usr/bin/aarch64-linux-gnu-nm -B) interface... 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(cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking how to get verbose linking output from gfortran... -v checking for Fortran 77 libraries of gfortran... -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore checking if sgemm_ is being linked in already... no checking for sgemm_ in -lopenblas... no checking for ATL_xerbla in -latlas... no checking for sgemm_ in -lblas... yes checking for dgemm_ in -ldgemm... no checking for sgemm_ in -lmkl... no checking for sgemm_ in -framework vecLib... no checking for sgemm_ in -lcxml... no checking for sgemm_ in -ldxml... no checking for sgemm_ in -lscs... no checking for sgemm_ in -lcomplib.sgimath... no checking for sgemm_ in -lblas... 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(cached) yes checking for cheev_... no checking for cheev_ in -llapack... yes checking for pkg-config... /usr/bin/pkg-config checking for harminv >= 1.1... yes checking HARMINV_CFLAGS... checking HARMINV_LIBS... -lharminv checking for mpb.h... yes checking for maxwell_target_operator1 in -lmpb... yes checking for cos in -lm... yes checking for cblas_dgemm in -lgslcblas... yes checking for gsl_sf_bessel_Jn in -lgsl... yes checking for deflate in -lz... yes checking for H5Pcreate in -lhdf5... yes checking for H5Pcreate... yes checking for hdf5.h... yes checking for H5Pset_mpi... no checking for H5Pset_fapl_mpio... no checking for guile-config... guile-config checking if linking to guile works... yes checking for libguile.h... yes checking for guile/gh.h... no checking for scm_make_smob_type... yes checking for SCM_SMOB_PREDICATE... no checking for SCM_SMOB_DATA... no checking for SCM_NEWSMOB... no checking how to activate readline in Guile... ice-9 readline checking for libctl dir... /usr/share/libctl checking for gen-ctl-io... gen-ctl-io checking for ctl_get_vector3 in -lctl... yes checking for ctl.h... yes checking whether libctl version is at least 4.2.0... checking for egrep -e... (cached) /usr/bin/grep -E ok checking for libctl_quiet feature... yes checking for vector3_dot in -lctlgeom... yes checking for libGDSII.h... yes checking for libGDSIIExists in -lGDSII... yes checking for libGDSII::GetLayers... no checking for feenableexcept... yes checking whether feenableexcept declaration is usable... yes checking whether to catch and ignore SIGFPE signals... yes checking for sys/time.h... yes checking for immintrin.h... no checking for BSDgettimeofday... no checking for gettimeofday... yes checking for cblas_ddot... yes checking for cblas_daxpy... yes checking for jn... yes checking for C/C++ restrict keyword... no checking for swig... swig checking for python... no checking for python2... no checking for python3... /usr/bin/python3 checking for python version... 3.12 checking for python platform... linux checking for GNU default python prefix... ${prefix} checking for GNU default python exec_prefix... ${exec_prefix} checking for python script directory (pythondir)... ${PYTHON_PREFIX}/lib/python3.12/site-packages checking for python extension module directory (pyexecdir)... ${PYTHON_EXEC_PREFIX}/lib/python3.12/site-packages checking for Python include directory... /usr/include/python3.12 checking for Python.h... yes checking for Numpy include directory... /usr/lib/python3/dist-packages/numpy/core/include checking for numpy/arrayobject.h... yes checking that generated files are newer than configure... done configure: creating ./config.status config.status: creating scheme/Makefile config.status: creating scheme/meep.scm config.status: creating libpympb/Makefile config.status: creating python/Makefile config.status: creating Makefile config.status: creating meep-pkgconfig config.status: creating src/Makefile config.status: creating src/support/Makefile config.status: creating tests/Makefile config.status: creating src/meep/meep-config.h config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' dh_auto_build make -j12 make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' Making all in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make sphere_quad (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/') > step_generic_stride1.cpp make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[4]: warning: jobserver unavailable: using -j1. Add '+' to parent make rule. aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o sphere-quad.o sphere-quad.cpp /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h make all-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making all in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' /bin/bash ../../libtool --tag=CC --mode=compile aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c -o mt19937ar.lo mt19937ar.c libtool: compile: aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o libtool: compile: aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1 /bin/bash ../../libtool --tag=CC --mode=link aarch64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-ar cr .libs/libsupport.a .libs/mt19937ar.o libtool: link: aarch64-linux-gnu-ranlib .libs/libsupport.a libtool: link: ( cd ".libs" && rm -f "libsupport.la" && ln -s "../libsupport.la" "libsupport.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o array_slice.lo array_slice.cpp /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o anisotropic_averaging.lo anisotropic_averaging.cpp /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bands.lo bands.cpp /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o boundaries.lo boundaries.cpp /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bicgstab.lo bicgstab.cpp /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ 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-Wall -W -c -o mympi.lo mympi.cpp monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] 327 | component cc = comp_list[com_it]; | ^~ monitor.cpp:274:15: note: 'comp_list' declared here 274 | component comp_list[3]; | ^~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 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-Werror=format-security -mbranch-protection=standard -Wall -W -c -o random.lo random.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c near2far.cpp -fPIC -DPIC -o .libs/near2far.o mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)': mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] 408 | int in[5], out[5]; | ^~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c output_directory.cpp -fPIC -DPIC -o .libs/output_directory.o mympi.cpp: In function 'void meep::abort(const char*, ...)': mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 248 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, va_list)': mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 692 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat 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-mbranch-protection=standard -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1 step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 144 | CHUNK_OPENMP libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o stress.lo stress.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o .libs/step_db.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o structure.lo structure.cpp output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 115 | snprintf(outdirname, buflen, "%s-out", basename); | ^~~~ In file included from /usr/include/stdio.h:970, from output_directory.cpp:18: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); | ^~ ~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~ output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o structure_dump.lo structure_dump.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 In file included from sources.cpp:27: meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': meep_internals.hpp:82:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] 82 | std::vector > amp; // amplitudes | ^~~ meep_internals.hpp:78:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] 78 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling | ^~~~~~~~~~~~~~~~~~ sources.cpp:168:1: warning: when initialized here [-Wreorder] 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, | ^~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o susceptibility.lo susceptibility.cpp /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o time.lo time.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o update_eh.lo update_eh.cpp susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o mpb.lo mpb.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^ structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:970, from structure_dump.cpp:22: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o update_pols.lo update_pols.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~ structure_dump.cpp:748:31: note: directive argument in the range [0, 19] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ structure_dump.cpp:748:31: note: directive argument in the range [0, 4] In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o vec.lo vec.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic.lo step_generic.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 step_generic.cpp:91: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 91 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:97: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 97 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:104: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 104 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:109: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 109 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic.cpp:118: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 118 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:128: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 128 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:138: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 138 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:146: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 146 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:162: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 162 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:172: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 172 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:182: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 182 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:189: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 189 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:202: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 202 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:216: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 216 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:229: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 229 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:239: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 239 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:267: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 267 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:279: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 279 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:290: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 290 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:298: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 298 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:309: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 309 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:317: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 317 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:327: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 327 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic.cpp:330: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 330 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic.cpp:392: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 392 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:407: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 407 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:419: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 419 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:431: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 431 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:447: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 447 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 460 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:473: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 473 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:484: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 484 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 494 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:506: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 506 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:517: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 517 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:526: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 526 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:535: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 535 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:548: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 548 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:558: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 558 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:568: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 568 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:576: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 576 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:583: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 583 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meepgeom.lo meepgeom.cpp /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o step_generic_stride1.cpp:93: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 93 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:93: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:99: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 99 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:99: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:106: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 106 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:106: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:111: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 111 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic_stride1.cpp:111: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:120: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 120 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:120: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:130: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 130 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:130: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:140: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 140 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:140: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:148: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 148 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:148: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:164: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 164 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:164: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:174: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 174 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:174: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:184: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 184 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:184: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:191: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 191 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:191: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:204: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 204 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:204: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:218: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 218 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:218: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:231: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 231 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:231: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:241: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 241 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:241: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:269: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 269 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:269: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:281: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 281 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:281: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:292: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 292 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:292: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:300: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 300 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:300: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:311: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 311 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:311: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:319: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 319 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:319: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 329 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic_stride1.cpp:329: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:332: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 332 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic_stride1.cpp:332: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:394: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 394 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:394: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:409: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 409 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:409: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:421: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 421 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:421: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:433: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 433 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:433: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:449: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 449 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:449: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:462: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 462 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:462: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:475: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 475 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:475: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:486: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 486 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:486: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:508: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 508 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:508: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:519: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 519 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:519: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:528: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 528 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:528: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:537: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 537 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:537: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:550: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 550 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:550: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:560: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 560 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:560: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:570: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 570 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:570: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:578: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 578 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:578: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:585: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 585 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } step_generic_stride1.cpp:585: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { | ^~~~~~~~~~~~ meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] 2685 | std::complex row_1[3], row_2[3], dA_du[3]; | ^~~~~ meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector, std::vector, double*, double, meep::grid_volume&, meep::volume&, geom_epsilon*, double)': meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2838 | for (int i = 0; i < ng * nf; i++) { | ~~^~~~~~~~~ meepgeom.cpp:2854:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2854:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2855 | current_adjoint_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2861:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2861:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2862 | current_forward_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; | ~~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2832:88: warning: unused parameter 'where' [-Wunused-parameter] 2832 | double scalegrad, meep::grid_volume &gv, meep::volume &where, | ~~~~~~~~~~~~~~^~~~~ meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] 2617 | } | ^ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, double, meep::grid_volume&, double)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2825 | vector3_to_vec(p), geps, adjoint_c, forward_c, fwd, adj, freq, gv, tol); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.30 -o .libs/libmeep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.30" && ln -s "libmeep.so.30.0.0" "libmeep.so.30") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.30.0.0" "libmeep.so") libtool: link: (cd .libs/libmeep.lax/libsupport.a && aarch64-linux-gnu-ar x "/build/reproducible-path/meep-1.25.0/src/support/.libs/libsupport.a") libtool: link: aarch64-linux-gnu-ar cr .libs/libmeep.a array_slice.o anisotropic_averaging.o bands.o boundaries.o bicgstab.o casimir.o cw_fields.o dft.o dft_ldos.o energy_and_flux.o fields.o fields_dump.o fix_boundary_sources.o loop_in_chunks.o h5fields.o h5file.o initialize.o integrate.o integrate2.o material_data.o monitor.o mympi.o multilevel-atom.o near2far.o output_directory.o random.o sources.o step.o step_db.o stress.o structure.o structure_dump.o susceptibility.o time.o update_eh.o mpb.o update_pols.o vec.o step_generic.o meepgeom.o GDSIIgeom.o step_generic_stride1.o .libs/libmeep.lax/libsupport.a/mt19937ar.o libtool: link: aarch64-linux-gnu-ranlib .libs/libmeep.a libtool: link: rm -fr .libs/libmeep.lax libtool: link: ( cd ".libs" && rm -f "libmeep.la" && ln -s "../libmeep.la" "libmeep.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' Making all in tests make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[3]: Nothing to be done for 'all'. make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' Making all in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' gen-ctl-io --cxx --header -o ctl-io.h meep.scm /usr/share/libctl gen-ctl-io --cxx --swig -o ctl-io.i meep.scm /usr/share/libctl (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; perl -pe 's/^ *class +([A-Za-z_0-9:]*)( *| *:[^{]*){.*$/%rename(meep_\1) meep::\1;/' ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | grep "%rename" | sed '/meep_fields_chunk/d ; /meep_comms_manager/d ; /meep_comms_key_hash_fn/d ; /meep_timing_scope/d' | sort -u; echo; grep -hv typedef ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/(inline|const|extern|static) +//g' | perl -pe 's/^[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%rename(meep_\1) meep::\1;/' | grep "%rename" | sed '/choose_chunkdivision/d ; /meep_create_comms_manager/d' | sort -u; ) > meep_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; for f in ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp; do egrep "^enum" $f | perl -pe 's/enum +([A-Za-z_0-9:]+).*$/\1/g' | while read enum; do cat $f | tr -d '\n' | perl -pe 's/.*enum +'${enum}' *{([^}]*)}.*/\1/g' | perl -pe 's/= *[0-9]+//g' |tr -d ' \t' | tr ',' '\n' | perl -pe 's/^(.*)$/'"%rename(meep_${enum}_\1) meep::\1;/g"; echo; done; done;) > meep_enum_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; grep -h friend ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/^ *friend +[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%ignore \1;/' | grep "%ignore" | sort -u;) > meep_swig_bug_workaround.i (perl -pe 's/%rename\(([A-Za-z0-9_]*)\) *([A-Za-z0-9:_]*);$/(define \2 (\1))/' meep_enum_renames.i | perl -pe 's/[A-Za-z0-9:_]*:://g' | perl -pe 's/_/-/g' | perl -pe 's,//,;,'; echo "(define Centered Dielectric)") > meep-enums.scm ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.25.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.6/usr/share/libctl/base/include.scm.go swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.25.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.6/usr/share/libctl/base/include.scm.go cp -f /usr/share/libctl/base/main.c main.cpp cp -f /usr/share/libctl/utils/geom.c geom.cpp gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl patch -p0 meep_wrap.cxx < ./meep_wrap.patch patching file meep_wrap.cxx Hunk #1 succeeded at 813 (offset 62 lines). sed -i.bak '/(SCM_SMOB_PREDICATE(swig_tag, smob) || SCM_SMOB_PREDICATE(swig_collectable_tag, smob))/ s/swig_collectable_tag, smob)/swig_collectable_tag, smob) || SCM_SMOB_PREDICATE((swig_collectable_tag \& ~0xff00), (smob))/' meep_wrap.cxx; make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-meep.o `test -f 'meep.cpp' || echo './'`meep.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-structure.o `test -f 'structure.cpp' || echo './'`structure.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-meep_wrap.o `test -f 'meep_wrap.cxx' || echo './'`meep_wrap.cxx aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-main.o `test -f 'main.cpp' || echo './'`main.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-geom.o `test -f 'geom.cpp' || echo './'`geom.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-ctl-io.o `test -f 'ctl-io.cpp' || echo './'`ctl-io.cpp geom.cpp:22:9: warning: "_GNU_SOURCE" redefined 22 | #define _GNU_SOURCE | ^~~~~~~~~~~ : note: this is the location of the previous definition In file included from ctl-io.h:7, from main.cpp:37: main.cpp: In function 'void main_entry(void*, int, char**)': main.cpp:194:31: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 194 | gh_new_procedure("subplex", (SCM(*)(void))subplex_scm, 7, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:202:44: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 202 | gh_new_procedure("adaptive-integration", (SCM(*)(void))adaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:205:45: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 205 | gh_new_procedure("cadaptive-integration", (SCM(*)(void))cadaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from ctl-io.h:7, from ctl-io.cpp:7: ctl-io.cpp: In function 'void ctlio::export_external_functions()': ctl-io.cpp:2229:38: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2229 | gh_new_procedure("square-basis-aux", (SCM (*)()) square_basis_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2230:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2230 | gh_new_procedure("range-overlap-with-object-aux", (SCM (*)()) range_overlap_with_object_aux, 5, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2231:55: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2231 | gh_new_procedure("display-geometric-object-info-aux", (SCM (*)()) display_geometric_object_info_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2232:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2232 | gh_new_procedure("point-in-periodic-object?-aux", (SCM (*)()) point_in_periodic_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2233:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2233 | gh_new_procedure("normal-to-object-aux", (SCM (*)()) normal_to_object_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2234:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2234 | gh_new_procedure("point-in-object?-aux", (SCM (*)()) point_in_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)': geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] 2357 | vector3 axisp = vector3_scale(height, zhatp); | ^~~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 581 | mat2 = mat1; | ~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 595 | mat_front = mat1; | ~~~~~~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)': meep_wrap.cxx:36013:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36013 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36016:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36016 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_1(int, scm_unused_struct**)': meep_wrap.cxx:36078:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36078 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36081:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36081 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_2(int, scm_unused_struct**)': meep_wrap.cxx:36142:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36142 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36145 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:30:1: warning: multi-line comment [-Wcomment] 30 | // #define LOOP_XYZ(md) \ | ^ pympb.cpp: In member function 'void py_mpb::mode_solver::fix_field_phase()': pympb.cpp:56:16: warning: comparison between two arrays [-Warray-compare] 56 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:71:9: note: in definition of macro 'CHECK' 71 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2012:3: note: in expansion of macro 'mpi_allreduce' 2012 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ pympb.cpp:56:16: note: use unary '+' which decays operands to pointers or '&(sq_sum2)[0] != &(sq_sum)[0]' to compare the addresses 56 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:71:9: note: in definition of macro 'CHECK' 71 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2012:3: note: in expansion of macro 'mpi_allreduce' 2012 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.30" && ln -s "libpympb.so.30.0.0" "libpympb.so.30") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.30.0.0" "libpympb.so") libtool: link: aarch64-linux-gnu-ar cr .libs/libpympb.a libpympb_la-pympb.o libtool: link: aarch64-linux-gnu-ranlib .libs/libpympb.a libtool: link: ( cd ".libs" && rm -f "libpympb.la" && ln -s "../libpympb.la" "libpympb.la" ) make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' Making all in python make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/python' swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o meep-python.cxx ./meep.i swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o mpb-python.cxx ./mpb.i ../src/meep.hpp:1633: Warning 362: operator= ignored ../src/meep.hpp:1633: Warning 362: operator= ignored cp meep.py __init__.py echo "__version__ = '1.25.0'" >> __init__.py if [[ "4.2.1" = 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' __init__.py; \ sed -i.bak 's/ import _meep/from . import _meep/' __init__.py; \ fi if [[ "4.2.1" == 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' mpb.py; \ sed -i.bak 's/ import _mpb/from . import _mpb/' mpb.py; \ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o In file included from mpb-python.cxx:3362: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector, std::vector, std::vector, std::vector, std::vector, meep::grid_volume&, const meep::boundary_region&, const meep::symmetry&, int, double, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep::structure*, bool, const meep::binary_partition*)': meep-python.cxx:7494:62: warning: unused parameter 'alist' [-Wunused-parameter] 7494 | meep_geom::absorber_list alist, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx:7495:67: warning: unused parameter 'extra_materials' [-Wunused-parameter] 7495 | meep_geom::material_type_list extra_materials, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~ meep-python.cxx:7497:42: warning: unused parameter 'set_materials' [-Wunused-parameter] 7497 | bool set_materials, | ~~~~~^~~~~~~~~~~~~ meep-python.cxx: In function 'meep_geom::geom_epsilon* _set_materials(meep::structure*, vector3, meep::grid_volume&, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep_geom::geom_epsilon*, bool, const meep::binary_partition*)': meep-python.cxx:7541:29: warning: unused parameter 'cell_size' [-Wunused-parameter] 7541 | vector3 cell_size, | ~~~~~~~~^~~~~~~~~ meep-python.cxx:7542:40: warning: unused parameter 'gv' [-Wunused-parameter] 7542 | meep::grid_volume &gv, | ~~~~~~~~~~~~~~~~~~~^~ meep-python.cxx:7555:26: warning: unused parameter 'output_chunk_costs' [-Wunused-parameter] 7555 | bool output_chunk_costs, | ~~~~~^~~~~~~~~~~~~~~~~~ meep-python.cxx:7556:51: warning: unused parameter 'my_bp' [-Wunused-parameter] 7556 | const meep::binary_partition *my_bp) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:25531:87: warning: unused parameter 'varargs' [-Wunused-parameter] 25531 | SWIGINTERN PyObject *_wrap_abort__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort(PyObject*, PyObject*)': meep-python.cxx:25564:44: warning: unused parameter 'self' [-Wunused-parameter] 25564 | SWIGINTERN PyObject *_wrap_abort(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125657:95: warning: unused parameter 'varargs' [-Wunused-parameter] 125657 | SWIGINTERN PyObject *_wrap_master_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf(PyObject*, PyObject*)': meep-python.cxx:125690:52: warning: unused parameter 'self' [-Wunused-parameter] 125690 | SWIGINTERN PyObject *_wrap_master_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125704:102: warning: unused parameter 'varargs' [-Wunused-parameter] 125704 | SWIGINTERN PyObject *_wrap_master_printf_stderr__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr(PyObject*, PyObject*)': meep-python.cxx:125737:59: warning: unused parameter 'self' [-Wunused-parameter] 125737 | SWIGINTERN PyObject *_wrap_master_printf_stderr(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125751:94: warning: unused parameter 'varargs' [-Wunused-parameter] 125751 | SWIGINTERN PyObject *_wrap_debug_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf(PyObject*, PyObject*)': meep-python.cxx:125784:51: warning: unused parameter 'self' [-Wunused-parameter] 125784 | SWIGINTERN PyObject *_wrap_debug_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125798:96: warning: unused parameter 'varargs' [-Wunused-parameter] 125798 | SWIGINTERN PyObject *_wrap_master_fprintf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf(PyObject*, PyObject*)': meep-python.cxx:125840:53: warning: unused parameter 'self' [-Wunused-parameter] 125840 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 In file included from meep-python.cxx:4065: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 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-I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu 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/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.30" && ln -s "_meep.so.30.0.0" "_meep.so.30") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.30.0.0" "_meep.so") libtool: link: aarch64-linux-gnu-ar cr .libs/_meep.a _meep_la-meep-python.o libtool: link: aarch64-linux-gnu-ranlib .libs/_meep.a libtool: link: ( cd ".libs" && rm -f "_meep.la" && ln -s "../_meep.la" "_meep.la" ) mkdir -p meep/adjoint cp __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py .libs/_meep.so meep cp ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/wrapper.py ./adjoint/utils.py meep/adjoint mkdir -p meep/mpb cp .libs/_mpb.so meep/mpb cp ./mpb.py meep/mpb/__init__.py cp ./solver.py ./mpb_data.py meep/mpb make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.25.0' cp -f ./meep-pkgconfig meep.pc make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' echo arm64 arm64 if [ "arm64" = "armel" ] || \ [ "arm64" = "riscv64" ] || \ [ "arm64" = "hurd-i386" ] ; then \ echo "Do not make tests on this architecture" ;\ else \ echo "Do make tests on this architecture" ;\ make check; \ find; \ cat python/test-suite.log; \ fi Do make tests on this architecture make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' Making check in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make check-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making check in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Nothing to be done for 'check'. make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[5]: Nothing to be done for 'check-am'. make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' Making check in tests make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o aniso_disp.o aniso_disp.cpp /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o aniso_disp aniso_disp.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/aniso_disp aniso_disp.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas 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-mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make check-TESTS make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' PASS: aniso_disp PASS: bench PASS: bragg_transmission PASS: convergence_cyl_waveguide PASS: cylindrical PASS: dump_load PASS: flux PASS: harmonics PASS: integrate PASS: known_results PASS: near2far PASS: one_dimensional PASS: physical PASS: stress_tensor PASS: symmetry PASS: three_d PASS: two_dimensional PASS: 2D_convergence PASS: h5test PASS: pml PASS: cyl-ellipsoid-ll PASS: array-slice-ll PASS: ring-ll ============================================================================ Testsuite summary for meep 1.25.0 ============================================================================ # TOTAL: 23 # PASS: 23 # SKIP: 0 # XFAIL: 0 # FAIL: 0 # XPASS: 0 # ERROR: 0 ============================================================================ make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' Making check in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make[4]: Nothing to be done for 'check-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making check in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' make[3]: Nothing to be done for 'check'. make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' Making check in python make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make check-TESTS make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/python' PASS: tests/test_3rd_harm_1d.py PASS: tests/test_absorber_1d.py FAIL: tests/test_adjoint_solver.py FAIL: tests/test_adjoint_utils.py FAIL: tests/test_adjoint_cyl.py FAIL: tests/test_adjoint_jax.py PASS: tests/test_antenna_radiation.py PASS: tests/test_array_metadata.py PASS: tests/test_bend_flux.py FAIL: tests/test_binary_partition_utils.py FAIL: tests/test_binary_grating.py PASS: tests/test_cavity_arrayslice.py PASS: tests/test_cavity_farfield.py FAIL: tests/test_chunk_balancer.py PASS: tests/test_chunk_layout.py PASS: tests/test_chunks.py PASS: tests/test_conductivity.py PASS: tests/test_cyl_ellipsoid.py PASS: tests/test_dft_energy.py PASS: tests/test_dft_fields.py PASS: tests/test_diffracted_planewave.py PASS: tests/test_dispersive_eigenmode.py PASS: tests/test_divide_mpi_processes.py PASS: tests/test_dump_load.py PASS: tests/test_eigfreq.py PASS: tests/test_faraday_rotation.py PASS: tests/test_field_functions.py PASS: tests/test_force.py PASS: tests/test_fragment_stats.py PASS: tests/test_gaussianbeam.py PASS: tests/test_geom.py PASS: tests/test_get_point.py FAIL: tests/test_get_epsilon_grid.py PASS: tests/test_holey_wvg_bands.py PASS: tests/test_holey_wvg_cavity.py PASS: tests/test_integrated_source.py PASS: tests/test_kdom.py PASS: tests/test_ldos.py PASS: tests/test_material_dispersion.py FAIL: tests/test_material_grid.py PASS: tests/test_materials_library.py PASS: tests/test_medium_evaluations.py FAIL: tests/test_mpb.py PASS: tests/test_mode_coeffs.py PASS: tests/test_mode_decomposition.py FAIL: tests/test_multilevel_atom.py PASS: tests/test_n2f_periodic.py PASS: tests/test_oblique_source.py PASS: tests/test_physical.py PASS: tests/test_prism.py PASS: tests/test_pw_source.py FAIL: tests/test_refl_angular.py FAIL: tests/test_ring.py PASS: tests/test_ring_cyl.py PASS: tests/test_simulation.py FAIL: tests/test_special_kz.py PASS: tests/test_source.py PASS: tests/test_timing_measurements.py PASS: tests/test_user_defined_material.py PASS: tests/test_visualization.py PASS: tests/test_wvg_src.py ============================================================================ Testsuite summary for meep 1.25.0 ============================================================================ # TOTAL: 61 # PASS: 47 # SKIP: 0 # XFAIL: 0 # FAIL: 14 # XPASS: 0 # ERROR: 0 ============================================================================ See python/test-suite.log ============================================================================ make[6]: *** [Makefile:1119: test-suite.log] Error 1 make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[5]: *** [Makefile:1227: check-TESTS] Error 2 make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[4]: *** [Makefile:1292: check-am] Error 2 make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: *** [Makefile:1294: check] Error 2 make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[2]: *** [Makefile:518: check-recursive] Error 1 make[2]: Leaving directory '/build/reproducible-path/meep-1.25.0' . ./meep.pc ./libtool ./stamp-h1 ./config.h ./meep-pkgconfig ./Makefile ./config.status ./config.log ./test-driver ./depcomp ./py-compile ./Makefile.in ./missing ./install-sh ./config.sub ./config.guess ./compile ./config.h.in ./configure ./aclocal.m4 ./ltmain.sh ./autom4te.cache 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./.gitattributes ./.flake8 ./.clang-format ======================================== meep 1.25.0: python/test-suite.log ======================================== # TOTAL: 61 # PASS: 47 # SKIP: 0 # XFAIL: 0 # FAIL: 14 # XPASS: 0 # ERROR: 0 .. contents:: :depth: 2 FAIL: tests/test_adjoint_solver =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-7brkbjqm because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_solver.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.3945 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-xkgzji38 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_utils.py", line 13, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.3277 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ Matplotlib created a temporary cache directory at /tmp/matplotlib-xl5iququ because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_cyl.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.3227 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax ============================ Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_jax.py", line 3, in import jax ModuleNotFoundError: No module named 'jax' FAIL tests/test_adjoint_jax.py (exit status: 1) FAIL: tests/test_binary_partition_utils ======================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-nktswsmd because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0027 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating =============================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_binary_grating.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_binary_grating.py (exit status: 1) FAIL: tests/test_chunk_balancer =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-yfg3cakl because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0009 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-bt7ptunw because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.3239 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-2r21flha because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_material_grid.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.3850 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== Matplotlib created a temporary cache directory at /tmp/matplotlib-atrb3od7 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. /tmp/meepREy4kN/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.3, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001493692398071289 solve_kpoint (0,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8 Solving for bands 3 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 10.77194213866493 (192.122% change) linmin: converged after 7 iterations. iteration 2: trace = 3.0754972925257 (111.161% change) linmin: converged after 5 iterations. iteration 3: trace = 1.71668476265345 (56.7096% change) linmin: converged after 7 iterations. iteration 4: trace = 1.227420708969451 (33.2369% change) linmin: converged after 5 iterations. iteration 5: trace = 1.060832724595333 (14.5603% change) linmin: converged after 7 iterations. iteration 6: trace = 0.959975852113978 (9.98183% change) linmin: converged after 5 iterations. iteration 7: trace = 0.909240400209034 (5.42853% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8807679450969029 (3.18127% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8627797420484471 (2.0634% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8516588552680404 (1.29732% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8438574996288519 (0.920234% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8394516798595164 (0.523471% change) linmin: converged after 5 iterations. iteration 13: trace = 0.836629069249995 (0.336811% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8347678523808513 (0.222714% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8337466495477653 (0.122409% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8330292235347097 (0.0860855% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8325947181531635 (0.0521733% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8323092192026496 (0.0342961% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8321766146416989 (0.0159334% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8321119589360675 (0.00776977% change) linmin: converged after 7 iterations. iteration 21: trace = 0.8320745163302404 (0.00449981% change) linmin: converged after 4 iterations. iteration 22: trace = 0.832051317003098 (0.00278817% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320378597035315 (0.00161738% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8320296693273964 (0.00098438% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8320254490100094 (0.000507233% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8320231011390418 (0.000282188% change) linmin: converged after 5 iterations. iteration 27: trace = 0.8320218176827396 (0.000154257% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8320210651241119 (9.04494e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 0.8320205764596325 (5.87322e-05% change) linmin: converged after 19 iterations. iteration 30: trace = 0.8320203215435755 (3.06382e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 0.8320202068470011 (1.37853e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320201439100389 (7.56436e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320201056776415 (4.59513e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200829980432 (2.72585e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 0.8320200693466452 (1.64075e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8320200636019381 (6.90453e-07% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200604494776 (3.78892e-07% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8320200588885164 (1.87611e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 0.8320200580360128 (1.02462e-07% change) linmin: converged after 19 iterations. iteration 40: trace = 0.8320200576147273 (5.0634e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 0.8320200574061474 (2.50691e-08% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8320200572926048 (1.36466e-08% change) linmin: converged after 9 iterations. iteration 43: trace = 0.8320200572315926 (7.33302e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 0.832020057198161 (4.01812e-09% change) linmin: converged after 5 iterations. iteration 45: trace = 0.8320200571762048 (2.6389e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8320200571626069 (1.63432e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 0.8320200571545783 (9.6495e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 0.832020057150025 (5.47252e-10% change) linmin: converged after 4 iterations. iteration 49: trace = 0.8320200571472434 (3.34327e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 0.8320200571454062 (2.20812e-10% change) linmin: converged after 6 iterations. iteration 51: trace = 0.8320200571444556 (1.14249e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 0.8320200571439178 (6.46369e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 elapsed time for k point: 0.11549568176269531 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8411857073604645 (1.48851% change) linmin: converged after 8 iterations. iteration 2: trace = 0.8364158268943164 (0.568655% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8353099576195202 (0.132303% change) linmin: converged after 6 iterations. iteration 4: trace = 0.8342493413734591 (0.127053% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8327506867263736 (0.179803% change) linmin: converged after 5 iterations. iteration 6: trace = 0.8318022392492346 (0.113958% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8313248193318883 (0.0574123% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8309940498477346 (0.0397962% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8307771087497984 (0.0261096% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8306786823965296 (0.0118482% change) linmin: converged after 4 iterations. iteration 11: trace = 0.830620418876548 (0.00701421% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8305831498030515 (0.004487% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8305591613818109 (0.00288818% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8305450047313113 (0.00170449% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8305386872319382 (0.000760648% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8305355879462613 (0.000373166% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8305341210791168 (0.000176617% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8305331675841161 (0.000114805% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8305325811294096 (7.06119e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8305322746123353 (3.69061e-05% change) linmin: converged after 7 iterations. iteration 21: trace = 0.8305320916748304 (2.20265e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8305320019893665 (1.07986e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8305319557056104 (5.57278e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8305319292924483 (3.18027e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8305319161092475 (1.58732e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8305319042197319 (1.43155e-06% change) linmin: converged after 21 iterations. iteration 27: trace = 0.8305318965921982 (9.18391e-07% change) linmin: converged after 10 iterations. iteration 28: trace = 0.8305318905535406 (7.27083e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8305318875553995 (3.6099e-07% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8305318858786155 (2.01893e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8305318849630696 (1.10236e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8305318845533121 (4.93368e-08% change) linmin: converged after 12 iterations. iteration 33: trace = 0.830531884211193 (4.11928e-08% change) linmin: converged after 15 iterations. iteration 34: trace = 0.8305318840358398 (2.11134e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8305318839403582 (1.14964e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8305318839001288 (4.84381e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 0.830531883874691 (3.06283e-09% change) linmin: converged after 24 iterations. iteration 38: trace = 0.8305318838577096 (2.04464e-09% change) linmin: converged after 18 iterations. iteration 39: trace = 0.8305318838472706 (1.2569e-09% change) linmin: converged after 23 iterations. iteration 40: trace = 0.8305318838419788 (6.37154e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8305318838394073 (3.09621e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8305318838374599 (2.34481e-10% change) linmin: converged after 19 iterations. iteration 43: trace = 0.8305318838359887 (1.77134e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8305318838350271 (1.1579e-10% change) linmin: converged after 4 iterations. iteration 45: trace = 0.8305318838345979 (5.16792e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 elapsed time for k point: 0.14922094345092773 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.836315860096732 (1.66557% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8340975083083036 (0.265605% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8332458664916265 (0.102156% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8322497918498211 (0.119613% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8311832900375034 (0.128229% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8306432394277228 (0.0649948% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8303416617015291 (0.0363131% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8301707132794689 (0.0205898% change) linmin: converged after 4 iterations. iteration 9: trace = 0.830078155996353 (0.0111498% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8300183450119853 (0.00720572% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8299838209971111 (0.00415951% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8299580236592101 (0.00310822% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8299441420167275 (0.00167259% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8299355104420545 (0.00104002% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8299314094940895 (0.00049413% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8299288478334526 (0.00030866% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8299269859865059 (0.000224338% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8299257864059029 (0.000144541% change) linmin: converged after 5 iterations. iteration 19: trace = 0.8299250658247074 (8.68248e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8299246454651557 (5.06503e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8299243778997404 (3.22397e-05% change) linmin: converged after 7 iterations. iteration 22: trace = 0.8299242050799038 (2.08236e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8299241006170228 (1.2587e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8299240288709508 (8.6449e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8299239857346447 (5.19762e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8299239648673498 (2.51436e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8299239559095053 (1.07936e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8299239507817767 (6.17855e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.829923948679026 (2.53367e-07% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8299239474471369 (1.48434e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8299239467745021 (8.10478e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8299239462912059 (5.82338e-08% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8299239460822325 (2.51798e-08% change) linmin: converged after 24 iterations. iteration 34: trace = 0.829923945946898 (1.63069e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8299239458765898 (8.47164e-09% change) linmin: converged after 10 iterations. iteration 36: trace = 0.8299239458198523 (6.83647e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8299239457895662 (3.64926e-09% change) linmin: converged after 22 iterations. iteration 38: trace = 0.8299239457730856 (1.9858e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8299239457622447 (1.30625e-09% change) linmin: converged after 23 iterations. iteration 40: trace = 0.8299239457533909 (1.06682e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 0.8299239457488158 (5.5127e-10% change) linmin: converged after 16 iterations. iteration 42: trace = 0.8299239457466069 (2.66157e-10% change) linmin: converged after 2 iterations. iteration 43: trace = 0.829923945745775 (1.00237e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8299239457452547 (6.26865e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 elapsed time for k point: 0.14523601531982422 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. iteration 1: trace = 0.8384579710388014 (1.6581% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8362067464145161 (0.268857% change) linmin: converged after 4 iterations. iteration 3: trace = 0.834959121441012 (0.149312% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8329527435092523 (0.240586% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8312082200197433 (0.209658% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8301835396589363 (0.123352% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8295953310521766 (0.0708779% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8291618777609253 (0.0522624% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8288536352392206 (0.0371821% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8286314540975082 (0.0268094% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8284802607009891 (0.0182478% change) linmin: converged after 3 iterations. iteration 12: trace = 0.828394573579545 (0.0103432% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8283427444947822 (0.00625677% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8283194330460465 (0.00281427% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8283033017531329 (0.00194749% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8282937079890141 (0.00115825% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8282878480627425 (0.000707472% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8282850045906595 (0.000343296% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8282833184112278 (0.000203575% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8282822463842839 (0.000129428% change) linmin: converged after 5 iterations. iteration 21: trace = 0.828281645933129 (7.24936e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8282813061972929 (4.1017e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8282810615722307 (2.95341e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8282809635218542 (1.18378e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8282809080507751 (6.69713e-06% change) linmin: converged after 7 iterations. iteration 26: trace = 0.8282808797258102 (3.41973e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8282808634907819 (1.96009e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8282808551640518 (1.0053e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8282808490579532 (7.37201e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8282808456817429 (4.07617e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8282808435851823 (2.53122e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8282808424976488 (1.313e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8282808418243391 (8.129e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8282808413684856 (5.50361e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8282808411400967 (2.75738e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8282808410003623 (1.68704e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8282808409003344 (1.20766e-08% change) linmin: converged after 27 iterations. iteration 38: trace = 0.8282808408204201 (9.64821e-09% change) linmin: converged after 7 iterations. iteration 39: trace = 0.8282808407815183 (4.69669e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8282808407436563 (4.57116e-09% change) linmin: converged after 25 iterations. iteration 41: trace = 0.8282808407148372 (3.47938e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8282808406920066 (2.75639e-09% change) linmin: converged after 2 iterations. iteration 43: trace = 0.8282808406803972 (1.40162e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8282808406737886 (7.9787e-10% change) linmin: converged after 10 iterations. iteration 45: trace = 0.8282808406704848 (3.98875e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8282808406687536 (2.09008e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 0.8282808406678077 (1.14202e-10% change) linmin: converged after 7 iterations. iteration 48: trace = 0.828280840667425 (4.62034e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 elapsed time for k point: 0.15791869163513184 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8297766891059705 (1.76584% change) linmin: converged after 4 iterations. iteration 2: trace = 0.827126168465749 (0.319937% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8255817084558966 (0.186901% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8228149488845111 (0.335691% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8213029828484377 (0.183924% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8204117591652833 (0.108572% change) linmin: converged after 4 iterations. iteration 7: trace = 0.820078298876689 (0.0406537% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8198547383796821 (0.0272646% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8197334194501104 (0.0147987% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8196549411872421 (0.00957409% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8196169098404152 (0.00464003% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8195957363298469 (0.00258338% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8195850475611317 (0.00130416% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8195801359377121 (0.000599284% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8195775858623278 (0.000311145% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8195759931744636 (0.000194331% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8195753474397359 (7.87889e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8195750259742762 (3.92234e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8195748466735 (2.18773e-05% change) linmin: converged after 9 iterations. iteration 20: trace = 0.8195747606874673 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8195747077048916 (6.46464e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8195746734680514 (4.17739e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8195746498620211 (2.88028e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8195746392254357 (1.29782e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.819574632834841 (7.79745e-07% change) linmin: converged after 13 iterations. iteration 26: trace = 0.8195746295494708 (4.00863e-07% change) linmin: converged after 13 iterations. iteration 27: trace = 0.819574628150171 (1.70735e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8195746272400561 (1.11047e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8195746268100966 (5.24613e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8195746265188533 (3.55359e-08% change) linmin: converged after 27 iterations. iteration 31: trace = 0.8195746264084736 (1.34679e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8195746263156771 (1.13225e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8195746262714612 (5.39499e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8195746262510966 (2.48478e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8195746262406717 (1.27199e-09% change) linmin: converged after 15 iterations. iteration 36: trace = 0.8195746262340665 (8.05925e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 0.8195746262311596 (3.54684e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8195746262301503 (1.2315e-10% change) linmin: converged after 11 iterations. iteration 39: trace = 0.8195746262296728 (5.82628e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 elapsed time for k point: 0.12912249565124512 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8202060387200576 (1.70382% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8182750241160189 (0.235708% change) linmin: converged after 4 iterations. iteration 3: trace = 0.817535559432626 (0.0904096% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8164009027530945 (0.138886% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8158262222327872 (0.0704167% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8155045628218415 (0.0394352% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8153935931190388 (0.0136084% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8153330404418098 (0.00742647% change) linmin: converged after 7 iterations. iteration 9: trace = 0.8153020394554229 (0.00380232% change) linmin: converged after 4 iterations. iteration 10: trace = 0.815283053454816 (0.00232873% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8152730327975205 (0.00122911% change) linmin: converged after 4 iterations. iteration 12: trace = 0.815266489638716 (0.000802576% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8152634044378041 (0.000378429% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8152616169738826 (0.00021925% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8152605303295448 (0.000133288% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8152599189119256 (7.49966e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8152596059346907 (3.83899e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8152594642120827 (1.73837e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8152593920835759 (8.84731e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8152593577039601 (4.21702e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8152593354987897 (2.72369e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 0.8152593247016575 (1.32438e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8152593173087741 (9.06814e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8152593138254385 (4.27267e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8152593120047846 (2.23322e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8152593112736239 (8.96844e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8152593110092122 (3.24328e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8152593108493351 (1.96106e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8152593107911446 (7.13768e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8152593107576598 (4.10725e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8152593107456172 (1.47715e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 0.8152593107377903 (9.60044e-10% change) linmin: converged after 10 iterations. iteration 33: trace = 0.8152593107338376 (4.84843e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8152593107317028 (2.61861e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8152593107306813 (1.253e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8152593107299846 (8.54532e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 elapsed time for k point: 0.11885356903076172 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8213704099867726 (1.52178% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8169092598691136 (0.544614% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8151043146603212 (0.221192% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8124543005631838 (0.325643% change) linmin: converged after 4 iterations. iteration 5: trace = 0.811240168559422 (0.149552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8106456426067773 (0.0733129% change) linmin: converged after 4 iterations. iteration 7: trace = 0.810403371041347 (0.0298907% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8102812528478489 (0.01507% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8102098418733521 (0.0088135% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8101705321405788 (0.00485191% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8101434675866164 (0.00334066% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8101271596843558 (0.00201298% change) linmin: converged after 4 iterations. iteration 13: trace = 0.810119052953955 (0.00100068% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8101141957189366 (0.000599572% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8101112551273706 (0.000362985% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101100249752458 (0.00015185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8101093505151843 (8.32554e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 0.8101090557261185 (3.63888e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101089101963076 (1.79642e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8101088685543416 (5.14029e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8101088443461921 (2.98826e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101088339233451 (1.2866e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8101088287653663 (6.36702e-07% change) linmin: converged after 17 iterations. iteration 24: trace = 0.8101088257061436 (3.77631e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 0.8101088238653266 (2.27231e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.810108822665528 (1.48103e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8101088219921038 (8.31276e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.810108821643532 (4.30278e-08% change) linmin: converged after 29 iterations. iteration 29: trace = 0.8101088214253349 (2.69343e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8101088213419808 (1.02892e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8101088213102635 (3.91519e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 0.8101088212925482 (2.18678e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8101088212829829 (1.18075e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8101088212792966 (4.55034e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8101088212770255 (2.80342e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.810108821275652 (1.69554e-10% change) linmin: converged after 10 iterations. iteration 37: trace = 0.8101088212748289 (1.01606e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8101088212743903 (5.41332e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 elapsed time for k point: 0.1258258819580078 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.809273371128195 (1.38558% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8062984969773834 (0.368275% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8053330558378826 (0.119809% change) linmin: converged after 5 iterations. iteration 4: trace = 0.80405922806096 (0.158299% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8034666835426599 (0.0737213% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8031100766844055 (0.0443934% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8029749352577331 (0.0168287% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028924749265977 (0.0102699% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8028467143041492 (0.00569963% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8028180397698028 (0.00357167% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8027995733460006 (0.00230023% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8027906687323354 (0.0011092% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8027867967539712 (0.000482316% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8027849000552016 (0.000236265% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8027839219051782 (0.000121845% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027834732207151 (5.58911e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8027832650213437 (2.59347e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8027831684655311 (1.20276e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027831163738792 (6.48888e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8027830991936692 (2.14008e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8027830866479162 (1.56278e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027830797597423 (8.58037e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8027830760515255 (4.6192e-07% change) linmin: converged after 9 iterations. iteration 24: trace = 0.8027830736191423 (3.02994e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8027830724307873 (1.48029e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8027830717575404 (8.38641e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8027830715079984 (3.10846e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8027830713939041 (1.42123e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8027830713270425 (8.32873e-09% change) linmin: converged after 14 iterations. iteration 30: trace = 0.8027830712989859 (3.49493e-09% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8027830712879676 (1.37251e-09% change) linmin: converged after 16 iterations. iteration 32: trace = 0.8027830712796187 (1.03999e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8027830712735203 (7.5965e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027830712713143 (2.74796e-10% change) linmin: converged after 6 iterations. iteration 35: trace = 0.8027830712698051 (1.88001e-10% change) linmin: converged after 15 iterations. iteration 36: trace = 0.802783071268766 (1.29432e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8027830712683004 (5.80017e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 elapsed time for k point: 0.12223982810974121 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8068179225889665 (1.29517% change) linmin: converged after 3 iterations. iteration 2: trace = 0.804832588193017 (0.246373% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8042872136604009 (0.0677854% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8036249724599602 (0.0823728% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8032567356252627 (0.0458325% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8029920196650826 (0.0329608% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8028887415049023 (0.0128625% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028182815775591 (0.00877619% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8027780187785131 (0.00501531% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8027521710407273 (0.00321984% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8027359476526511 (0.00202099% change) linmin: converged after 4 iterations. iteration 12: trace = 0.802727982914457 (0.000992204% change) linmin: converged after 3 iterations. iteration 13: trace = 0.802723880114383 (0.000511108% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8027211420985967 (0.000341091% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8027191516384169 (0.000247964% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027176224959517 (0.000190496% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8027166889701804 (0.000116296% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8027162103596907 (5.96239e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027159091591477 (3.75227e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8027158068781748 (1.27419e-05% change) linmin: converged after 10 iterations. iteration 21: trace = 0.8027157420448225 (8.07675e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 0.802715709343627 (4.07382e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8027156963901343 (1.61371e-06% change) linmin: converged after 25 iterations. iteration 24: trace = 0.8027156897719367 (8.24476e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8027156870140796 (3.43566e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8027156854301956 (1.97316e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027156847538376 (8.42587e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8027156842766868 (5.94421e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8027156840251561 (3.1335e-08% change) linmin: converged after 31 iterations. iteration 30: trace = 0.8027156839051044 (1.49557e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8027156838537041 (6.4033e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8027156838186872 (4.3623e-09% change) linmin: converged after 13 iterations. iteration 33: trace = 0.8027156837999538 (2.33375e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027156837942571 (7.09688e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8027156837904597 (4.7307e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8027156837880036 (3.05966e-10% change) linmin: converged after 7 iterations. iteration 37: trace = 0.8027156837870213 (1.22375e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8027156837865843 (5.44382e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 elapsed time for k point: 0.1258692741394043 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8155294376424663 (1.37094% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8138776522734583 (0.202747% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8133742935541981 (0.0618661% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8126556331426072 (0.0883945% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8121871670633984 (0.0576629% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8117923023583824 (0.0486293% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8116108115438246 (0.0223593% change) linmin: converged after 6 iterations. iteration 8: trace = 0.8114739977375731 (0.0168585% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8113791011440841 (0.011695% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8113085750803738 (0.0086925% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8112504355246271 (0.0071664% change) linmin: converged after 4 iterations. iteration 12: trace = 0.811211066717463 (0.00485297% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8111826254010386 (0.00350609% change) linmin: converged after 5 iterations. iteration 14: trace = 0.8111593523668564 (0.00286907% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8111444357100662 (0.00183895% change) linmin: converged after 4 iterations. iteration 16: trace = 0.811135444413941 (0.00110848% change) linmin: converged after 5 iterations. iteration 17: trace = 0.8111316026057794 (0.000473634% change) linmin: converged after 3 iterations. iteration 18: trace = 0.811130187145684 (0.000174505% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8111293526274589 (0.000102883% change) linmin: converged after 5 iterations. iteration 20: trace = 0.8111290114631691 (4.20604e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8111287652725712 (3.03516e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8111286057812008 (1.96629e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8111285234429321 (1.01511e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8111284687546958 (6.74224e-06% change) linmin: converged after 12 iterations. iteration 25: trace = 0.8111284433478234 (3.13229e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8111284222032065 (2.60681e-06% change) linmin: converged after 7 iterations. iteration 27: trace = 0.8111284113560745 (1.33729e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8111284028317195 (1.05093e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8111283987915656 (4.98091e-07% change) linmin: converged after 9 iterations. iteration 30: trace = 0.8111283967889734 (2.4689e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8111283955216915 (1.56237e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8111283948185323 (8.6689e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8111283945321676 (3.53045e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8111283944066422 (1.54754e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8111283943165297 (1.11095e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8111283942752676 (5.087e-09% change) linmin: converged after 19 iterations. iteration 37: trace = 0.8111283942632421 (1.48256e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8111283942557568 (9.22831e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8111283942508334 (6.06981e-10% change) linmin: converged after 9 iterations. iteration 40: trace = 0.8111283942481876 (3.26184e-10% change) linmin: converged after 16 iterations. iteration 41: trace = 0.81112839424681 (1.69833e-10% change) linmin: converged after 6 iterations. iteration 42: trace = 0.811128394246043 (9.45662e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 elapsed time for k point: 0.1389455795288086 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8290563269388784 (1.5156% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8273550264785751 (0.20542% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8266224782205577 (0.0885802% change) large trace change predicted (0.193434%) linmin: converged after 4 iterations. iteration 4: trace = 0.8250101629050859 (0.195239% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8239463222377366 (0.129032% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8228610425306505 (0.131804% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8221978507147034 (0.0806283% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8216235802290914 (0.0698702% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8211054695681614 (0.0630793% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8206083191293649 (0.0605648% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8201236287664798 (0.0590822% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8197787982981481 (0.042055% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8195406353236169 (0.0290563% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8193469211861539 (0.0236397% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8192379771359951 (0.0132973% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8191817953726388 (0.00685804% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8191490570081135 (0.00399655% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8191307360021227 (0.00223662% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8191110855888374 (0.00239896% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8190994002107381 (0.0014266% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8190864754428578 (0.00157794% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8190800027292462 (0.000790239% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8190771103947635 (0.000353121% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8190748139325353 (0.000280372% change) linmin: converged after 5 iterations. iteration 25: trace = 0.8190737905148722 (0.000124948% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8190729885719623 (9.79086e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 0.8190726416048181 (4.2361e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8190724446469992 (2.40464e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8190723634326225 (9.91541e-06% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8190723223059518 (5.02113e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 0.819072293636266 (3.50026e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8190722799506965 (1.67086e-06% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8190722717209697 (1.00476e-06% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8190722641678607 (9.22154e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8190722569175918 (8.85181e-07% change) linmin: converged after 20 iterations. iteration 36: trace = 0.819072252398658 (5.51714e-07% change) linmin: converged after 18 iterations. iteration 37: trace = 0.8190722470126064 (6.5758e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8190722404773362 (7.97887e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8190722358112694 (5.69677e-07% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8190722327134291 (3.78213e-07% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8190722304560935 (2.75597e-07% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8190722291582522 (1.58453e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 0.8190722281638675 (1.21404e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8190722275599085 (7.3737e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 0.8190722273229317 (2.89323e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8190722271693935 (1.87454e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 0.8190722271071573 (7.59838e-09% change) linmin: converged after 10 iterations. iteration 48: trace = 0.8190722270707893 (4.44015e-09% change) linmin: converged after 14 iterations. iteration 49: trace = 0.8190722270585126 (1.49886e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 0.8190722270528337 (6.93333e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 0.8190722270495949 (3.95416e-10% change) linmin: converged after 2 iterations. iteration 52: trace = 0.8190722270481852 (1.72117e-10% change) linmin: converged after 2 iterations. iteration 53: trace = 0.8190722270474002 (9.58313e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 elapsed time for k point: 0.17524957656860352 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8318723245698361 (3.13082% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8276838458231727 (0.504771% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8250719751639439 (0.316062% change) large trace change predicted (0.829962%) linmin: converged after 5 iterations. iteration 4: trace = 0.8181500821756009 (0.842478% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8146308841822318 (0.431068% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8121449348964213 (0.305629% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8110067055704764 (0.140249% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8102662668394681 (0.0913404% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8097637147394906 (0.0620423% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8094608758573285 (0.0374054% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8092619572238918 (0.0245772% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8091489869963024 (0.0139606% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8090914838523688 (0.00710687% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8090524495611096 (0.00482458% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8090299048314704 (0.0027866% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8090196961708989 (0.00126185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8090149532580024 (0.000586256% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8090133783585416 (0.000194669% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8090122091828419 (0.000144519% change) linmin: converged after 3 iterations. iteration 20: trace = 0.809011746549078 (5.7185e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 0.8090114311733304 (3.89828e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8090112622133518 (2.08847e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8090112032213227 (7.29187e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8090111645767121 (4.77677e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8090111496273182 (1.84786e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8090111376871478 (1.4759e-06% change) linmin: converged after 10 iterations. iteration 27: trace = 0.8090111299481263 (9.56603e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8090111234591612 (8.02086e-07% change) linmin: converged after 17 iterations. iteration 29: trace = 0.8090111190077983 (5.50223e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8090111160067402 (3.70954e-07% change) linmin: converged after 11 iterations. iteration 31: trace = 0.8090111140715618 (2.39203e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.809011112840562 (1.52161e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8090111123538603 (6.01601e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8090111120761603 (3.43259e-08% change) linmin: converged after 25 iterations. iteration 35: trace = 0.809011111827572 (3.07274e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8090111117288276 (1.22056e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8090111116923977 (4.50301e-09% change) linmin: converged after 5 iterations. iteration 38: trace = 0.8090111116668663 (3.15587e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8090111116513794 (1.91431e-09% change) linmin: converged after 6 iterations. iteration 40: trace = 0.8090111116440928 (9.00682e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8090111116401751 (4.84251e-10% change) linmin: converged after 8 iterations. iteration 42: trace = 0.8090111116384469 (2.13629e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8090111116376205 (1.02142e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8090111116370096 (7.55188e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 elapsed time for k point: 0.14687013626098633 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8171851170997577 (2.82615% change) linmin: converged after 4 iterations. iteration 2: trace = 0.813918027365284 (0.400599% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8130234308008992 (0.109973% change) linmin: converged after 4 iterations. iteration 4: trace = 0.811581624060812 (0.177496% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8108367043900603 (0.0918283% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8104212308344327 (0.0512532% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8102651075147203 (0.0192663% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8101854245831392 (0.00983466% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8101424830515994 (0.00530035% change) linmin: converged after 3 iterations. iteration 10: trace = 0.810120944553498 (0.00265864% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8101107143717293 (0.0012628% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8101053670865769 (0.000660071% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8101033097483941 (0.00025396% change) linmin: converged after 2 iterations. iteration 14: trace = 0.8101024191779366 (0.000109933% change) linmin: converged after 2 iterations. iteration 15: trace = 0.8101019341435778 (5.98732e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8101016896360236 (3.01823e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8101015590582973 (1.61187e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8101015104593604 (5.99912e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101014866005619 (2.94516e-06% change) linmin: converged after 8 iterations. iteration 20: trace = 0.8101014766732865 (1.22544e-06% change) linmin: converged after 24 iterations. iteration 21: trace = 0.8101014719162717 (5.87212e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101014694525338 (3.04127e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8101014680412485 (1.74211e-07% change) linmin: converged after 8 iterations. iteration 24: trace = 0.8101014671897425 (1.05111e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8101014666458735 (6.71359e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 0.810101466366896 (3.44374e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8101014662654042 (1.25283e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8101014662094285 (6.90972e-09% change) linmin: converged after 5 iterations. iteration 29: trace = 0.8101014661850829 (3.00524e-09% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8101014661721252 (1.59952e-09% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8101014661683199 (4.6973e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8101014661663739 (2.40217e-10% change) linmin: converged after 6 iterations. iteration 33: trace = 0.8101014661650519 (1.63196e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8101014661646312 (5.19273e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 elapsed time for k point: 0.11390280723571777 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8384802898748622 (2.88371% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8342584911066918 (0.504777% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8324378232300615 (0.218476% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8292138799100831 (0.388041% change) linmin: converged after 4 iterations. iteration 5: trace = 0.827322253232385 (0.228383% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8262867608253194 (0.12524% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8257462495266317 (0.0654359% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8254198265357116 (0.0395385% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8251898663616859 (0.0278637% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8250606384828725 (0.0156616% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8249885908464112 (0.00873279% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8249476216823384 (0.00496615% change) linmin: converged after 4 iterations. iteration 13: trace = 0.824928537065068 (0.00231346% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8249170794087202 (0.00138894% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8249097450566565 (0.000889106% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8249057647163063 (0.000482519% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8249036821750686 (0.000252458% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8249026994258288 (0.000119135% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8249021282724944 (6.92389e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8249018605074976 (3.24602e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8249016803447531 (2.18405e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8249015845869494 (1.16084e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8249015344706885 (6.07542e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8249015089280831 (3.09644e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8249014948902105 (1.70176e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8249014886144899 (7.60784e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.82490148538737 (3.91213e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8249014836509996 (2.10494e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8249014827636327 (1.07572e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.824901482377576 (4.68003e-08% change) linmin: converged after 26 iterations. iteration 31: trace = 0.8249014822007916 (2.1431e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8249014820905052 (1.33697e-08% change) linmin: converged after 6 iterations. iteration 33: trace = 0.8249014820217433 (8.33577e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8249014819930203 (3.48199e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8249014819693666 (2.86745e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.824901481953957 (1.86806e-09% change) linmin: converged after 22 iterations. iteration 37: trace = 0.8249014819460342 (9.60451e-10% change) linmin: converged after 16 iterations. iteration 38: trace = 0.8249014819420621 (4.81517e-10% change) linmin: converged after 13 iterations. iteration 39: trace = 0.8249014819395273 (3.07293e-10% change) linmin: converged after 18 iterations. iteration 40: trace = 0.8249014819380525 (1.78787e-10% change) linmin: converged after 16 iterations. iteration 41: trace = 0.8249014819373073 (9.03358e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 elapsed time for k point: 0.17943549156188965 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8480483504579561 (3.58198% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8430089126034128 (0.59601% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8384490944510825 (0.542365% change) linmin: converged after 6 iterations. iteration 4: trace = 0.833504242190635 (0.591506% change) linmin: converged after 6 iterations. iteration 5: trace = 0.8312006937664944 (0.276752% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8303345713220793 (0.104256% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8298720782409875 (0.0557151% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8296438183420806 (0.0275092% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8295035920716755 (0.0169034% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8294292605779823 (0.00896136% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8293938184228468 (0.00427317% change) linmin: converged after 3 iterations. iteration 12: trace = 0.829375645803089 (0.0021911% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8293681148786946 (0.000908027% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8293644321962761 (0.000444036% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8293622462035651 (0.000263575% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8293611088425483 (0.000137137% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8293605063723064 (7.26427e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8293602062722002 (3.61845e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8293600606222393 (1.75617e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8293599788560098 (9.85895e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8293599294100369 (5.96194e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8293598981795791 (3.76561e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 0.829359881782837 (1.97704e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8293598714059198 (1.2512e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8293598655872598 (7.01584e-07% change) linmin: converged after 12 iterations. iteration 26: trace = 0.8293598628133533 (3.34464e-07% change) linmin: converged after 21 iterations. iteration 27: trace = 0.8293598612781719 (1.85104e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8293598604061101 (1.05149e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8293598600266698 (4.5751e-08% change) linmin: converged after 22 iterations. iteration 30: trace = 0.8293598598808711 (1.75797e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.829359859814782 (7.96869e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8293598597813747 (4.02808e-09% change) linmin: converged after 11 iterations. iteration 33: trace = 0.8293598597669902 (1.73441e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8293598597619849 (6.03517e-10% change) linmin: converged after 16 iterations. iteration 35: trace = 0.8293598597589518 (3.65719e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 0.829359859757155 (2.16647e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8293598597560852 (1.28992e-10% change) linmin: converged after 20 iterations. iteration 38: trace = 0.8293598597555056 (6.98776e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 elapsed time for k point: 0.13454079627990723 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8480940244309446 (1.69227% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8419235022329321 (0.730232% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8394087479197274 (0.299138% change) linmin: converged after 4 iterations. iteration 4: trace = 0.836466267239855 (0.351158% change) linmin: converged after 4 iterations. iteration 5: trace = 0.834672354538319 (0.214693% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8334606568479985 (0.145276% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8328462065781603 (0.07375% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8325101793123081 (0.040355% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8322457691396173 (0.0317656% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8321412516982053 (0.0125593% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8320852115237597 (0.00673468% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8320477512855995 (0.00450207% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8320325851853662 (0.00182276% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8320268694258969 (0.000686966% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8320236470047006 (0.000387298% change) linmin: converged after 4 iterations. iteration 16: trace = 0.832022038583722 (0.000193315% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8320210664606004 (0.000116839% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8320206058344797 (5.53623e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8320203906623702 (2.58614e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8320202605730955 (1.56353e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8320201840423708 (9.19818e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.83202013794228 (5.54074e-06% change) linmin: converged after 7 iterations. iteration 23: trace = 0.8320200998172953 (4.58222e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8320200739733764 (3.10617e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8320200654921726 (1.01935e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8320200619872656 (4.21253e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8320200597339977 (2.70819e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.832020058365486 (1.64481e-07% change) linmin: converged after 19 iterations. iteration 29: trace = 0.8320200576761879 (8.28463e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8320200574763272 (2.40211e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8320200573161726 (1.92489e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320200572338544 (9.89377e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.832020057197676 (4.34826e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8320200571735461 (2.90016e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8320200571592896 (1.71348e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8320200571525682 (8.07841e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200571484559 (4.94251e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8320200571461505 (2.77095e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 0.8320200571449834 (1.40269e-10% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200571443123 (8.06627e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 ..elapsed time for k point: 0.08919405937194824 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024688 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.23061915826414672 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.21696776954474586 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855384 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.3008564830839497 at Vector3<0.5, 0.0, 0.0> to 0.3651152537651722 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.30714983400393553 at Vector3<0.5, 0.5, 0.0> to 0.38531636177147244 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259549 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.34953853766123844 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230428 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011085 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.477306572259159 at Vector3<0.5, 0.5, 0.0> total elapsed time for run: 2.1706135272979736 done /tmp/meepREy4kN/test_anisotropic_2d_gap-0: 2.17s /tmp/meepREy4kN/test_attribute_accessors-0 ======================== /tmp/meepREy4kN/test_attribute_accessors-0: 0.00s /tmp/meepREy4kN/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 1e+20, height 0.25, axis (1, 0, 0) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.0001926422119140625 solve_kpoint (0.5,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 1 to 8... near maximum in trace linmin: converged after 20 iterations. iteration 1: trace = 27.80144625027669 (180.5% change) linmin: converged after 8 iterations. iteration 2: trace = 19.82418800010011 (33.4999% change) linmin: converged after 7 iterations. iteration 3: trace = 18.80241114661619 (5.29053% change) linmin: converged after 5 iterations. iteration 4: trace = 18.64391851982911 (0.846506% change) linmin: converged after 8 iterations. switching to approximate line minimization (decrease time by 50.4425%) iteration 5: trace = 18.63017324216899 (0.0737524% change) switching back to exact line minimization iteration 6: trace = 18.62916003756401 (0.00543866% change) linmin: converged after 4 iterations. iteration 7: trace = 18.62909545219934 (0.00034669% change) linmin: converged after 4 iterations. iteration 8: trace = 18.62908848536587 (3.73976e-05% change) linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 53.0769%) iteration 9: trace = 18.62908777888122 (3.79237e-06% change) iteration 10: trace = 18.62908770028848 (4.21882e-07% change) iteration 11: trace = 18.62908769516048 (2.75269e-08% change) iteration 12: trace = 18.62908769491559 (1.31455e-09% change) iteration 13: trace = 18.62908769491733 (9.32561e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 elapsed time for k point: 0.00171661376953125 total elapsed time for run: 0.001983165740966797 done Fixing h-field (band 8) phase by 0.909537 + -0.415623i; max ampl. = 1.96664 .Outputting fields to /tmp/meepREy4kN/test_bragg-0-h.k01.b08.y.tm.h5... /tmp/meepREy4kN/test_bragg-0: 0.01s /tmp/meepREy4kN/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 11 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.05, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.15000000000000002, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.25, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.35000000000000003, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.45, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.003194093704223633 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 19 iterations. iteration 1: trace = 17.30275056401984 (175.314% change) linmin: converged after 8 iterations. iteration 2: trace = 11.9760373863671 (36.3862% change) linmin: converged after 6 iterations. iteration 3: trace = 11.17691626013078 (6.90297% change) linmin: converged after 5 iterations. iteration 4: trace = 11.08896486917231 (0.79001% change) linmin: converged after 6 iterations. iteration 5: trace = 11.08297661618686 (0.0540165% change) linmin: converged after 8 iterations. iteration 6: trace = 11.08249596622674 (0.00433692% change) linmin: converged after 5 iterations. iteration 7: trace = 11.08219937792676 (0.00267622% change) large trace change predicted (0.0167811%) linmin: converged after 6 iterations. iteration 8: trace = 11.08038974001353 (0.0163306% change) large trace change predicted (0.0812502%) linmin: converged after 8 iterations. iteration 9: trace = 11.07305304217878 (0.0662353% change) linmin: converged after 5 iterations. iteration 10: trace = 11.07180721242442 (0.0112516% change) linmin: converged after 7 iterations. iteration 11: trace = 11.07168890779527 (0.00106853% change) linmin: converged after 6 iterations. iteration 12: trace = 11.07167968197878 (8.3328e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 11.07167908240041 (5.41542e-06% change) linmin: converged after 10 iterations. switching to approximate line minimization (decrease time by 53.6082%) iteration 14: trace = 11.07167889420393 (1.6998e-06% change) iteration 15: trace = 11.0716779976237 (8.09796e-06% change) iteration 16: trace = 11.07167518719081 (2.5384e-05% change) iteration 17: trace = 11.07167456093305 (5.6564e-06% change) iteration 18: trace = 11.07167451845902 (3.83628e-07% change) iteration 19: trace = 11.0716745146709 (3.42145e-08% change) iteration 20: trace = 11.07167451443016 (2.17438e-09% change) iteration 21: trace = 11.0716745143937 (3.29274e-10% change) iteration 22: trace = 11.07167451429858 (8.59181e-10% change) iteration 23: trace = 11.07167451395079 (3.14127e-09% change) iteration 24: trace = 11.07167451360991 (3.07881e-09% change) iteration 25: trace = 11.07167451351465 (8.60384e-10% change) iteration 26: trace = 11.07167451350871 (5.36837e-11% change) Finished solving for bands 2 to 8 after 26 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991 elapsed time for k point: 0.002496004104614258 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 11.04205589335819 (0.320414% change) linmin: converged after 11 iterations. switching to approximate line minimization (decrease time by 54.8872%) iteration 2: trace = 11.02779351867074 (0.129248% change) iteration 3: trace = 11.02770475042544 (0.000804953% change) switching back to exact line minimization large trace change predicted (0.0932951%) linmin: converged after 10 iterations. iteration 4: trace = 11.01806746706182 (0.0874298% change) linmin: converged after 6 iterations. iteration 5: trace = 11.01664404674312 (0.0129198% change) linmin: converged after 7 iterations. iteration 6: trace = 11.01540354927172 (0.0112608% change) linmin: converged after 8 iterations. iteration 7: trace = 11.01433928375019 (0.00966208% change) linmin: converged after 7 iterations. iteration 8: trace = 11.01352665863151 (0.00737816% change) linmin: converged after 6 iterations. iteration 9: trace = 11.01297368604901 (0.00502098% change) linmin: converged after 6 iterations. iteration 10: trace = 11.01260367498397 (0.00335983% change) linmin: converged after 7 iterations. iteration 11: trace = 11.01234600828291 (0.00233977% change) linmin: converged after 7 iterations. iteration 12: trace = 11.01215736521394 (0.00171303% change) linmin: converged after 5 iterations. iteration 13: trace = 11.01201270994144 (0.0013136% change) linmin: converged after 5 iterations. iteration 14: trace = 11.01189720798149 (0.00104888% change) linmin: converged after 6 iterations. iteration 15: trace = 11.01180164458289 (0.000867823% change) linmin: converged after 6 iterations. iteration 16: trace = 11.01172002227122 (0.000741229% change) linmin: converged after 5 iterations. iteration 17: trace = 11.01164825313236 (0.000651754% change) linmin: converged after 5 iterations. iteration 18: trace = 11.01158341982805 (0.000588772% change) linmin: converged after 5 iterations. iteration 19: trace = 11.01152333759738 (0.000545629% change) linmin: converged after 5 iterations. iteration 20: trace = 11.01146628263761 (0.00051814% change) linmin: converged after 5 iterations. iteration 21: trace = 11.01141081766347 (0.000503703% change) linmin: converged after 5 iterations. iteration 22: trace = 11.01135567480688 (0.00050078% change) linmin: converged after 5 iterations. iteration 23: trace = 11.01129967373822 (0.000508577% change) linmin: converged after 5 iterations. iteration 24: trace = 11.01124166425714 (0.000526819% change) linmin: converged after 7 iterations. iteration 25: trace = 11.01118048582044 (0.000555601% change) linmin: converged after 5 iterations. iteration 26: trace = 11.01111494136685 (0.000595255% change) linmin: converged after 5 iterations. iteration 27: trace = 11.01104378715495 (0.000646206% change) linmin: converged after 5 iterations. iteration 28: trace = 11.01096573549305 (0.000708851% change) linmin: converged after 5 iterations. iteration 29: trace = 11.01087947554889 (0.000783403% change) linmin: converged after 6 iterations. iteration 30: trace = 11.01078370865238 (0.000869752% change) linmin: converged after 6 iterations. iteration 31: trace = 11.01067719511959 (0.000967361% change) linmin: converged after 7 iterations. iteration 32: trace = 11.0105588184778 (0.00107511% change) linmin: converged after 6 iterations. iteration 33: trace = 11.01042763386273 (0.00119145% change) linmin: converged after 5 iterations. iteration 34: trace = 11.0102829332154 (0.00131422% change) linmin: converged after 7 iterations. iteration 35: trace = 11.01012428690288 (0.0014409% change) linmin: converged after 7 iterations. iteration 36: trace = 11.00995166081934 (0.0015679% change) linmin: converged after 6 iterations. iteration 37: trace = 11.00976540309208 (0.00169174% change) linmin: converged after 7 iterations. iteration 38: trace = 11.0095663406236 (0.00180807% change) linmin: converged after 5 iterations. iteration 39: trace = 11.00935597949786 (0.00191073% change) linmin: converged after 6 iterations. iteration 40: trace = 11.00913645340698 (0.00199402% change) linmin: converged after 5 iterations. iteration 41: trace = 11.00891053152842 (0.00205215% change) linmin: converged after 8 iterations. iteration 42: trace = 11.00868145429236 (0.00208086% change) linmin: converged after 6 iterations. iteration 43: trace = 11.00845263388484 (0.00207857% change) linmin: converged after 5 iterations. iteration 44: trace = 11.00822723038049 (0.00204757% change) linmin: converged after 8 iterations. iteration 45: trace = 11.00800786328904 (0.00199278% change) linmin: converged after 6 iterations. iteration 46: trace = 11.00779643783161 (0.00192067% change) linmin: converged after 5 iterations. iteration 47: trace = 11.00759390248773 (0.00183994% change) linmin: converged after 6 iterations. iteration 48: trace = 11.00740071738865 (0.00175503% change) linmin: converged after 5 iterations. iteration 49: trace = 11.00721679634582 (0.0016709% change) linmin: converged after 7 iterations. iteration 50: trace = 11.00704174241288 (0.00159037% change) linmin: converged after 6 iterations. iteration 51: trace = 11.00687501456139 (0.00151475% change) linmin: converged after 5 iterations. iteration 52: trace = 11.00671594221069 (0.00144522% change) linmin: converged after 5 iterations. iteration 53: trace = 11.0065639269633 (0.00138112% change) linmin: converged after 6 iterations. iteration 54: trace = 11.00641839206615 (0.00132226% change) linmin: converged after 6 iterations. iteration 55: trace = 11.00627882365528 (0.00126807% change) linmin: converged after 6 iterations. iteration 56: trace = 11.00614477805909 (0.00121791% change) linmin: converged after 5 iterations. iteration 57: trace = 11.00601589002765 (0.00117106% change) linmin: converged after 6 iterations. iteration 58: trace = 11.00589182996989 (0.00112721% change) linmin: converged after 5 iterations. iteration 59: trace = 11.00577235804738 (0.00108553% change) linmin: converged after 6 iterations. iteration 60: trace = 11.00565724990092 (0.00104589% change) linmin: converged after 5 iterations. iteration 61: trace = 11.0055463444867 (0.00100772% change) linmin: converged after 5 iterations. iteration 62: trace = 11.00543948448586 (0.00097097% change) linmin: converged after 5 iterations. iteration 63: trace = 11.00533654887428 (0.00093532% change) linmin: converged after 6 iterations. iteration 64: trace = 11.00523742354759 (0.000900706% change) linmin: converged after 5 iterations. iteration 65: trace = 11.00514200366712 (0.000867044% change) linmin: converged after 5 iterations. iteration 66: trace = 11.00505018069374 (0.000834368% change) linmin: converged after 5 iterations. iteration 67: trace = 11.00496184504172 (0.000802686% change) linmin: converged after 7 iterations. iteration 68: trace = 11.00487689134744 (0.000771961% change) linmin: converged after 5 iterations. iteration 69: trace = 11.00479520018456 (0.000742321% change) resetting CG direction... large trace change predicted (0.115539%) linmin: converged after 7 iterations. iteration 70: trace = 10.99202103429551 (0.116146% change) linmin: converged after 6 iterations. iteration 71: trace = 10.99062236117629 (0.0127252% change) linmin: converged after 8 iterations. iteration 72: trace = 10.98948431511006 (0.0103552% change) linmin: converged after 6 iterations. iteration 73: trace = 10.98818648561436 (0.0118104% change) linmin: converged after 5 iterations. iteration 74: trace = 10.98802559188107 (0.00146425% change) linmin: converged after 4 iterations. iteration 75: trace = 10.98801515639975 (9.49714e-05% change) linmin: converged after 5 iterations. iteration 76: trace = 10.98801412705257 (9.36791e-06% change) linmin: converged after 5 iterations. iteration 77: trace = 10.9880140963765 (2.79178e-07% change) linmin: converged after 4 iterations. iteration 78: trace = 10.98801409322136 (2.87144e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 10.98801409310473 (1.06138e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 10.98801409303983 (5.90652e-10% change) linmin: converged after 4 iterations. iteration 81: trace = 10.98801409311148 (6.5202e-10% change) linmin: converged after 3 iterations. iteration 82: trace = 10.98801409299052 (1.1008e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 10.98801409304876 (5.29996e-10% change) linmin: converged after 4 iterations. iteration 84: trace = 10.98801409304146 (6.64274e-11% change) Finished solving for bands 1 to 8 after 84 iterations. tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778 elapsed time for k point: 0.010358810424804688 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 10.90376046824373 (0.00793522% change) linmin: converged after 4 iterations. iteration 2: trace = 10.90359830907354 (0.0014872% change) linmin: converged after 3 iterations. iteration 3: trace = 10.90350960463483 (0.000813537% change) linmin: converged after 7 iterations. iteration 4: trace = 10.90345230354924 (0.00052553% change) linmin: converged after 4 iterations. iteration 5: trace = 10.90344655289567 (5.27416e-05% change) linmin: converged after 5 iterations. iteration 6: trace = 10.90344608445378 (4.29627e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.90344604871542 (3.27771e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.9034460473527 (1.24981e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 10.9034460473056 (4.31926e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 10.90344604730442 (1.08829e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 elapsed time for k point: 0.0012481212615966797 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.82874318743302 (0.00713648% change) linmin: converged after 3 iterations. iteration 2: trace = 10.82865179048751 (0.000844025% change) linmin: converged after 4 iterations. iteration 3: trace = 10.8286391456429 (0.000116772% change) linmin: converged after 5 iterations. iteration 4: trace = 10.82863201430636 (6.58563e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.82863047384795 (1.42258e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 10.82863033630219 (1.2702e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11044e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.82863032376797 (4.70661e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.8286303237533 (1.35499e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 10.82863032375297 (3.01838e-12% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 elapsed time for k point: 0.001234292984008789 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.76383414066022 (0.00702665% change) linmin: converged after 4 iterations. iteration 2: trace = 10.76375283235569 (0.000755387% change) linmin: converged after 4 iterations. iteration 3: trace = 10.76374658323256 (5.80571e-05% change) linmin: converged after 5 iterations. iteration 4: trace = 10.76374528581931 (1.20535e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.76374486740369 (3.88727e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 10.76374482182858 (4.23413e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.76374481723281 (4.26968e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.76374481699878 (2.17426e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.76374481699274 (5.60942e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 5, 0.2, 0, 0, 0.2, 0.0934195, 0.40505, 0.612091, 0.907101, 1.10696, 1.40468, 1.6041, 1.90311 elapsed time for k point: 0.0011258125305175781 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.70890918978214 (0.00701169% change) linmin: converged after 4 iterations. iteration 2: trace = 10.70883098425239 (0.000730287% change) linmin: converged after 5 iterations. iteration 3: trace = 10.70882611989432 (4.54238e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.70882574797966 (3.47297e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.70882564389908 (9.71914e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.70882562792913 (1.54008e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.70882562781417 (1.07346e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.70882562781128 (2.70049e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 elapsed time for k point: 0.0010974407196044922 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.66396644581557 (0.00701938% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6638895643872 (0.000720948% change) linmin: converged after 6 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.66388497807411 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762052 (3.59533e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 10.66388494718304 (4.10246e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 10.66388494713199 (4.78709e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.66388494713049 (1.40424e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533 elapsed time for k point: 0.0011038780212402344 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.62900860023464 (0.00703179% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6289323953069 (0.000716955% change) linmin: converged after 5 iterations. iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.62892805633392 (1.18399e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71056e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.62892804604186 (9.72507e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.62892804597542 (6.2508e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.62892804596423 (1.05255e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.62892804596352 (6.73513e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 elapsed time for k point: 0.0011067390441894531 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) linmin: converged after 4 iterations. iteration 2: trace = 10.60396176516587 (0.000715115% change) linmin: converged after 5 iterations. iteration 3: trace = 10.6039576473093 (3.88332e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.60395754101094 (1.00244e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.60395753615697 (4.57751e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.60395753572879 (4.03789e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.60395753570917 (1.85074e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.6039575357088 (3.45088e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 elapsed time for k point: 0.0009756088256835938 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58905458874505 (0.00704958% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58897895638373 (0.000714253% change) linmin: converged after 6 iterations. iteration 3: trace = 10.58897488550179 (3.84445e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58897478737543 (9.26684e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58897478401991 (3.16888e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58897478378886 (2.18198e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58897478377235 (1.55962e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.58897478377204 (2.91894e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885 elapsed time for k point: 0.0009868144989013672 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58406017889885 (0.00705116% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58398461985988 (0.000713897% change) linmin: converged after 4 iterations. iteration 3: trace = 10.58398056403726 (3.83204e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58398046806651 (9.06755e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58398046509703 (2.80564e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58398046493152 (1.56375e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58398046491724 (1.34939e-10% change) linmin: converged after 1 iterations. iteration 8: trace = 10.58398046491708 (1.51051e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 .elapsed time for k point: 0.000980377197265625 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0> Band 2 range: 0.30640302623084414 at Vector3<0.5, 0.0, 0.0> to 0.46877485258675194 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5466257501316379 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541639 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7842615905093814 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437461 at Vector3<0.0, 0.0, 0.0> Band 5 range: 1.0240548648146843 at Vector3<0.0, 0.0, 0.0> to 1.244098004202587 at Vector3<0.5, 0.0, 0.0> Band 6 range: 1.2666566861855073 at Vector3<0.5, 0.0, 0.0> to 1.4970379696966398 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.5115800994652084 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910488 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.7581683208483643 at Vector3<0.5, 0.0, 0.0> to 1.9999072006824996 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.19477466366820304) to band 2 (0.30640302623084414), 44.54642128428603% Gap from band 2 (0.46877485258675194) to band 3 (0.5466257501316379), 15.334026262436064% Gap from band 3 (0.7316504426541639) to band 4 (0.7842615905093814), 6.941187444158442% Gap from band 4 (0.9893486155437461) to band 5 (1.0240548648146843), 3.447520540171089% Gap from band 5 (1.244098004202587) to band 6 (1.2666566861855073), 1.7969642410133866% Gap from band 6 (1.4970379696966398) to band 7 (1.5115800994652084), 0.9666982936534588% Gap from band 7 (1.7488359039910488) to band 8 (1.7581683208483643), 0.532215889060857% total elapsed time for run: 0.026332616806030273 done /tmp/meepREy4kN/test_bragg_sine-0: 0.03s /tmp/meepREy4kN/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013759136199951172 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13987517356872559 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.38936829566955566 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08549952507019043 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07878398895263672 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09137463569641113 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14194917678833008 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1075735092163086 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09147453308105469 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07884502410888672 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07537364959716797 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07522726058959961 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05997800827026367 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06982231140136719 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09552383422851562 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1119992733001709 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24841690063476562 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9436283111572266 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 ./tmp/meepREy4kN/test_compute_field_energy-0: 1.95s /tmp/meepREy4kN/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013675689697265625 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13994526863098145 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.38962674140930176 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08596229553222656 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07942986488342285 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09197187423706055 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14279747009277344 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10819196701049805 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09180068969726562 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07904696464538574 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07551264762878418 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07552361488342285 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05986976623535156 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.069793701171875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09536457061767578 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11194705963134766 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.24610400199890137 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.945453405380249 done /tmp/meepREy4kN/test_compute_group_velocity-0: 1.95s /tmp/meepREy4kN/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013387203216552734 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1388390064239502 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3877885341644287 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.0856177806854248 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.0786747932434082 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09120583534240723 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1421186923980713 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10784125328063965 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09154748916625977 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0791773796081543 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07544088363647461 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07529950141906738 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05964827537536621 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.069122314453125 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09441494941711426 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11073946952819824 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24553847312927246 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9355273246765137 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099 ./tmp/meepREy4kN/test_compute_integrals-0: 1.94s /tmp/meepREy4kN/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 16 x 16 x 16. Solving for 5 bands at a time. Creating Maxwell data... Mesh size is 5. Lattice vectors: (0, 0.5, 0.5) (0.5, 0, 0.5) (0.5, 0.5, 0) Cell volume = 0.25 Reciprocal lattice vectors (/ 2 pi): (-1, 1, 1) (1, -1, 1) (1, 1, -1) Geometric objects: sphere, center = (0.125,0.125,0.125) radius 0.25 sphere, center = (-0.125,-0.125,-0.125) radius 0.25 Geometric object tree has depth 4 and 35 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 31 k-points Vector3<0.0, 0.5, 0.5> Vector3<0.0, 0.525, 0.475> Vector3<0.0, 0.55, 0.45> Vector3<0.0, 0.575, 0.425> Vector3<0.0, 0.6, 0.4> Vector3<0.0, 0.625, 0.375> Vector3<0.0, 0.6, 0.3> Vector3<0.0, 0.575, 0.225> Vector3<0.0, 0.55, 0.15000000000000002> Vector3<0.0, 0.525, 0.07500000000000001> Vector3<0.0, 0.5, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.3, 0.0> Vector3<0.0, 0.19999999999999996, 0.0> Vector3<0.0, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.1> Vector3<0.0, 0.2, 0.2> Vector3<0.0, 0.30000000000000004, 0.30000000000000004> Vector3<0.0, 0.4, 0.4> Vector3<0.0, 0.5, 0.5> Vector3<0.05, 0.55, 0.5> Vector3<0.1, 0.6, 0.5> Vector3<0.15000000000000002, 0.65, 0.5> Vector3<0.2, 0.7, 0.5> Vector3<0.25, 0.75, 0.5> Vector3<0.275, 0.75, 0.475> Vector3<0.3, 0.75, 0.45> Vector3<0.325, 0.75, 0.425> Vector3<0.35, 0.75, 0.4> Vector3<0.375, 0.75, 0.375> elapsed time for initialization: 0.020632505416870117 solve_kpoint (0,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5 Solving for bands 1 to 5... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 7.793809388876734 (194.671% change) linmin: converged after 8 iterations. iteration 2: trace = 1.602644292878233 (131.777% change) linmin: converged after 5 iterations. iteration 3: trace = 1.230444137489674 (26.2752% change) linmin: converged after 7 iterations. iteration 4: trace = 1.145863323821901 (7.11868% change) linmin: converged after 7 iterations. iteration 5: trace = 1.108732460474563 (3.29379% change) linmin: converged after 5 iterations. iteration 6: trace = 1.095242895867568 (1.22411% change) linmin: converged after 5 iterations. iteration 7: trace = 1.086567900224123 (0.795211% change) linmin: converged after 5 iterations. iteration 8: trace = 1.082571254980187 (0.368501% change) linmin: converged after 5 iterations. iteration 9: trace = 1.079681031773776 (0.267335% change) linmin: converged after 5 iterations. iteration 10: trace = 1.07784196185811 (0.17048% change) linmin: converged after 5 iterations. iteration 11: trace = 1.07658971866119 (0.116248% change) linmin: converged after 5 iterations. iteration 12: trace = 1.075741300120796 (0.0788372% change) linmin: converged after 5 iterations. iteration 13: trace = 1.075332005396717 (0.0380549% change) linmin: converged after 4 iterations. iteration 14: trace = 1.075088183570877 (0.0226767% change) linmin: converged after 4 iterations. iteration 15: trace = 1.074991682595675 (0.0089765% change) linmin: converged after 4 iterations. iteration 16: trace = 1.074947859516338 (0.00407668% change) linmin: converged after 4 iterations. iteration 17: trace = 1.074928276104173 (0.00182182% change) linmin: converged after 8 iterations. iteration 18: trace = 1.074920023198566 (0.000767766% change) linmin: converged after 5 iterations. iteration 19: trace = 1.074915815055662 (0.000391485% change) linmin: converged after 5 iterations. iteration 20: trace = 1.074913897245545 (0.000178415% change) linmin: converged after 5 iterations. iteration 21: trace = 1.074912797130558 (0.000102345% change) linmin: converged after 5 iterations. iteration 22: trace = 1.074912135440156 (6.15576e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.074911682476406 (4.21396e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.074911185373714 (4.62459e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.074910350283009 (7.76893e-05% change) large trace change predicted (0.000205026%) linmin: converged after 5 iterations. iteration 26: trace = 1.074908146483132 (0.000205022% change) large trace change predicted (0.000513652%) linmin: converged after 5 iterations. iteration 27: trace = 1.07490262826197 (0.000513368% change) linmin: converged after 5 iterations. iteration 28: trace = 1.074894274699342 (0.000777149% change) linmin: converged after 5 iterations. iteration 29: trace = 1.074885559310737 (0.000810817% change) linmin: converged after 6 iterations. iteration 30: trace = 1.074878751252922 (0.000633377% change) linmin: converged after 7 iterations. iteration 31: trace = 1.074871979340896 (0.000630018% change) linmin: converged after 6 iterations. iteration 32: trace = 1.074864290595143 (0.00071532% change) linmin: converged after 4 iterations. iteration 33: trace = 1.074857335705497 (0.00064705% change) linmin: converged after 4 iterations. iteration 34: trace = 1.074852611926326 (0.000439481% change) linmin: converged after 4 iterations. iteration 35: trace = 1.074850531090792 (0.000193593% change) linmin: converged after 4 iterations. iteration 36: trace = 1.074849707707753 (7.66045e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074849401321547 (2.8505e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 1.074849273654745 (1.18776e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 1.074849202666278 (6.6045e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.074849166432867 (3.37102e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.074849150238921 (1.50662e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 1.074849143715029 (6.06959e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 1.074849140933313 (2.58801e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 1.074849139366316 (1.45788e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.074849138485003 (8.19942e-08% change) linmin: converged after 4 iterations. iteration 46: trace = 1.074849138034085 (4.19517e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.074849137805405 (2.12755e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 1.074849137683515 (1.13402e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 1.074849137606227 (7.19065e-09% change) linmin: converged after 2 iterations. iteration 50: trace = 1.074849137561233 (4.18604e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.074849137540571 (1.92229e-09% change) linmin: converged after 3 iterations. iteration 52: trace = 1.074849137533237 (6.82361e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 1.074849137531041 (2.04289e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 1.074849137530269 (7.18493e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.38392066955566406 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.075858895003848 (0.603183% change) linmin: converged after 5 iterations. iteration 2: trace = 1.073482649228938 (0.221114% change) linmin: converged after 4 iterations. iteration 3: trace = 1.072517250925701 (0.0899719% change) linmin: converged after 4 iterations. iteration 4: trace = 1.07226731835112 (0.0233061% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072198684379732 (0.00640103% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072184614555412 (0.00131225% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072176813446787 (0.000727593% change) linmin: converged after 6 iterations. iteration 8: trace = 1.072174588825062 (0.000207487% change) linmin: converged after 5 iterations. iteration 9: trace = 1.072173275829781 (0.000122461% change) linmin: converged after 5 iterations. iteration 10: trace = 1.072172792730832 (4.50579e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072172507137298 (2.66369e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.072172093455102 (3.85836e-05% change) linmin: converged after 13 iterations. iteration 13: trace = 1.072171277805736 (7.60745e-05% change) large trace change predicted (0.000180553%) linmin: converged after 5 iterations. iteration 14: trace = 1.072169342022187 (0.000180548% change) linmin: converged after 16 iterations. iteration 15: trace = 1.072167408079079 (0.000180377% change) linmin: converged after 6 iterations. iteration 16: trace = 1.072166456174473 (8.87832e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.072165970166683 (4.53295e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072165682214035 (2.68571e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.072165408274992 (2.55501e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 1.072165207652325 (1.87119e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 1.07216510367804 (9.6976e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 1.072165061729352 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.072165050577685 (1.04011e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.072165047945189 (2.45531e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.072165047308095 (5.94212e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.072165047160103 (1.38031e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.072165047103967 (5.2358e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.07216504707559 (2.64669e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.072165047058603 (1.58435e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 1.072165047048055 (9.83784e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 1.072165047042511 (5.17065e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 1.072165047039758 (2.56782e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 1.07216504703864 (1.04254e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 1.072165047038117 (4.88547e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 elapsed time for k point: 0.24228334426879883 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.068440466045205 (0.573523% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066480807479963 (0.183581% change) linmin: converged after 4 iterations. iteration 3: trace = 1.065774667547763 (0.0662341% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065585967274126 (0.017707% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065530753732716 (0.00518165% change) linmin: converged after 4 iterations. iteration 6: trace = 1.065516120758966 (0.00137331% change) linmin: converged after 5 iterations. iteration 7: trace = 1.065506870654358 (0.000868137% change) linmin: converged after 3 iterations. iteration 8: trace = 1.065504384713838 (0.000233311% change) linmin: converged after 18 iterations. iteration 9: trace = 1.065503073473254 (0.000123063% change) linmin: converged after 2 iterations. iteration 10: trace = 1.065502572123757 (4.70529e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 1.065502157725804 (3.88923e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.06550155124787 (5.69195e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.065500878596151 (6.31301e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.065500247906648 (5.91919e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.065499909234968 (3.17852e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.065499690826473 (2.04982e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.065499506928749 (1.72593e-05% change) linmin: converged after 20 iterations. iteration 18: trace = 1.065499383728922 (1.15626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.065499315698634 (6.38483e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.065499294220984 (2.01574e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.065499288548681 (5.32361e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.065499287022425 (1.43243e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.065499286677926 (3.23321e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.065499286595517 (7.73437e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.065499286570307 (2.36595e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.065499286559613 (1.00371e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 1.065499286551562 (7.5564e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.065499286546965 (4.31377e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.0654992865453 (1.56254e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.06549928654484 (4.31794e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 elapsed time for k point: 0.21468138694763184 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.059540504499355 (0.530657% change) linmin: converged after 4 iterations. iteration 2: trace = 1.05798354916432 (0.147054% change) linmin: converged after 4 iterations. iteration 3: trace = 1.057502090064032 (0.0455176% change) linmin: converged after 4 iterations. iteration 4: trace = 1.057358559154869 (0.0135736% change) linmin: converged after 4 iterations. iteration 5: trace = 1.057314691601922 (0.00414887% change) linmin: converged after 4 iterations. iteration 6: trace = 1.057300876214259 (0.00130666% change) linmin: converged after 5 iterations. iteration 7: trace = 1.057292723699835 (0.000771072% change) linmin: converged after 4 iterations. iteration 8: trace = 1.057291059110143 (0.000157439% change) linmin: converged after 3 iterations. iteration 9: trace = 1.057290409951241 (6.13983e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.057290221445181 (1.78292e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.057290112028999 (1.03487e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.057289958936161 (1.44797e-05% change) linmin: converged after 16 iterations. iteration 13: trace = 1.057289789269395 (1.60473e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057289654908358 (1.27081e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.05728960466552 (4.75204e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.057289590705038 (1.3204e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.057289585702304 (4.73166e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057289583780866 (1.81732e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.057289582678028 (1.04308e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.057289582066726 (5.78179e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.05728958183277 (2.21279e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.057289581749869 (7.8409e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 1.057289581718886 (2.93044e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.057289581697566 (2.01644e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057289581676837 (1.96064e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057289581662593 (1.34719e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057289581656746 (5.52964e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.057289581655314 (1.355e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.057289581654965 (3.30141e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 elapsed time for k point: 0.20788311958312988 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051100648814141 (0.506611% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049691285821747 (0.134174% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049314899107921 (0.0358633% change) linmin: converged after 4 iterations. iteration 4: trace = 1.049185433172377 (0.0123389% change) linmin: converged after 4 iterations. iteration 5: trace = 1.049147911038267 (0.00357637% change) linmin: converged after 4 iterations. iteration 6: trace = 1.049135854260348 (0.0011492% change) linmin: converged after 5 iterations. iteration 7: trace = 1.049129471311554 (0.000608402% change) linmin: converged after 3 iterations. iteration 8: trace = 1.049128247387994 (0.000116661% change) linmin: converged after 2 iterations. iteration 9: trace = 1.04912779156954 (4.34474e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.049127676630066 (1.09557e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.049127634485117 (4.01714e-06% change) linmin: converged after 26 iterations. iteration 12: trace = 1.04912759548366 (3.71751e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 1.049127554116296 (3.94303e-06% change) linmin: converged after 22 iterations. iteration 14: trace = 1.049127517065815 (3.53155e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.049127502744468 (1.36507e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.049127499460315 (3.13037e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.049127498551341 (8.66409e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 1.049127498234713 (3.01801e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 1.049127497940215 (2.80708e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 1.049127497468462 (4.49663e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.049127497017252 (4.30081e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 1.049127496798793 (2.0823e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.049127496735693 (6.01448e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 1.049127496715387 (1.93557e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.049127496707381 (7.63051e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 1.049127496704079 (3.14782e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 1.049127496702446 (1.55666e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.049127496701628 (7.79284e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 elapsed time for k point: 0.20057082176208496 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043459216722463 (0.506828% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041988342828767 (0.141061% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041637917013636 (0.0336361% change) linmin: converged after 4 iterations. iteration 4: trace = 1.04150010817998 (0.0132309% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041466538801386 (0.00322323% change) linmin: converged after 4 iterations. iteration 6: trace = 1.041456832909056 (0.000931949% change) linmin: converged after 5 iterations. iteration 7: trace = 1.04145212968613 (0.000451601% change) linmin: converged after 4 iterations. iteration 8: trace = 1.041451113409441 (9.75827e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.041450688275374 (4.08213e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.041450583335705 (1.00763e-05% change) linmin: converged after 15 iterations. iteration 11: trace = 1.04145055102366 (3.1026e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 1.041450527028424 (2.30402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 1.041450494527918 (3.1207e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 1.04145043539497 (5.67794e-06% change) linmin: converged after 7 iterations. iteration 15: trace = 1.041450384495773 (4.88734e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.041450353324324 (2.99308e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.041450318415118 (3.35198e-06% change) linmin: converged after 23 iterations. iteration 18: trace = 1.041450255970096 (5.99597e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.041450142733959 (1.08729e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 1.041450060666096 (7.88015e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.041450032793385 (2.67634e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.041450025149674 (7.33949e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.041450023239037 (1.83459e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04145002251745 (6.92867e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.041450022090024 (4.10414e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.04145002159701 (4.73392e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.041450020726602 (8.35766e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.041450019065773 (1.59473e-07% change) large trace change predicted (4.189e-07%) linmin: converged after 2 iterations. iteration 29: trace = 1.04145001470314 (4.189e-07% change) large trace change predicted (1.19651e-06%) linmin: converged after 16 iterations. iteration 30: trace = 1.041450002242192 (1.1965e-06% change) large trace change predicted (3.27802e-06%) linmin: converged after 3 iterations. iteration 31: trace = 1.04144996810502 (3.27785e-06% change) large trace change predicted (7.60992e-06%) linmin: converged after 3 iterations. iteration 32: trace = 1.041449888872006 (7.60795e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 1.041449762143182 (1.21685e-05% change) linmin: converged after 8 iterations. iteration 34: trace = 1.041449617733145 (1.38663e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 1.041449518800372 (9.49953e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 1.041449483215252 (3.41688e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 1.041449473025162 (9.78453e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 1.041449470385734 (2.53438e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 1.041449469588867 (7.65151e-08% change) linmin: converged after 20 iterations. iteration 40: trace = 1.041449469287295 (2.8957e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 1.041449469189142 (9.42459e-09% change) linmin: converged after 10 iterations. iteration 42: trace = 1.041449469160062 (2.79229e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 1.04144946915253 (7.23263e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 1.04144946915032 (2.12205e-10% change) linmin: converged after 2 iterations. iteration 45: trace = 1.041449469149446 (8.38971e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 elapsed time for k point: 0.3193798065185547 Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b01.h5... D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b02.h5... D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b03.h5... D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.039665448918141 (2.28714% change) linmin: converged after 5 iterations. iteration 2: trace = 1.03126174447369 (0.811589% change) linmin: converged after 5 iterations. iteration 3: trace = 1.027058258259599 (0.408439% change) linmin: converged after 5 iterations. iteration 4: trace = 1.020314522193447 (0.65877% change) linmin: converged after 4 iterations. iteration 5: trace = 1.016895452943936 (0.335662% change) linmin: converged after 4 iterations. iteration 6: trace = 1.013850701572565 (0.299865% change) linmin: converged after 4 iterations. iteration 7: trace = 1.012826541833987 (0.101068% change) linmin: converged after 3 iterations. iteration 8: trace = 1.012456630988233 (0.0365293% change) linmin: converged after 3 iterations. iteration 9: trace = 1.012302653572539 (0.0152095% change) linmin: converged after 3 iterations. iteration 10: trace = 1.012263470101499 (0.0038708% change) linmin: converged after 4 iterations. iteration 11: trace = 1.012248751191856 (0.00145407% change) linmin: converged after 4 iterations. iteration 12: trace = 1.012243323298405 (0.000536223% change) linmin: converged after 6 iterations. iteration 13: trace = 1.012239242815871 (0.000403114% change) linmin: converged after 4 iterations. iteration 14: trace = 1.012234289032094 (0.00048939% change) linmin: converged after 5 iterations. iteration 15: trace = 1.012226176757293 (0.000801426% change) linmin: converged after 5 iterations. iteration 16: trace = 1.012212339553813 (0.00136702% change) linmin: converged after 7 iterations. iteration 17: trace = 1.012198494702927 (0.00136779% change) linmin: converged after 6 iterations. iteration 18: trace = 1.012188204927564 (0.00101658% change) linmin: converged after 5 iterations. iteration 19: trace = 1.012182979177564 (0.000516284% change) linmin: converged after 5 iterations. iteration 20: trace = 1.012180431891034 (0.000251663% change) linmin: converged after 4 iterations. iteration 21: trace = 1.012179050266534 (0.0001365% change) linmin: converged after 5 iterations. iteration 22: trace = 1.012178436832588 (6.06053e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.012178138308118 (2.94933e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 1.012178008609885 (1.28138e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 1.012177948013927 (5.98669e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 1.012177914414934 (3.31947e-06% change) linmin: converged after 3 iterations. iteration 27: trace = 1.012177899398552 (1.48357e-06% change) linmin: converged after 6 iterations. iteration 28: trace = 1.012177891703032 (7.60293e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.012177888011668 (3.64695e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 1.012177886482547 (1.51072e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.012177885943443 (5.32618e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.012177885797334 (1.44352e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 1.012177885757129 (3.97212e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.012177885742624 (1.43305e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 1.01217788573651 (6.04e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 1.012177885733493 (2.98062e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 1.012177885731931 (1.54285e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 1.01217788573071 (1.20677e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.012177885728822 (1.86489e-10% change) large trace change predicted (3.79806e-10%) linmin: converged after 3 iterations. iteration 40: trace = 1.012177885724983 (3.7934e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.012177885719431 (5.48542e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 1.012177885715906 (3.48233e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 1.012177885714417 (1.47068e-10% change) linmin: converged after 6 iterations. iteration 44: trace = 1.012177885713607 (8.00492e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 elapsed time for k point: 0.31374406814575195 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9915573055188105 (2.26017% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9866607516796273 (0.495047% change) linmin: converged after 4 iterations. iteration 3: trace = 0.985915134572086 (0.0755983% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9856473004079666 (0.0271697% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9855722861007572 (0.00761095% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9855592500247952 (0.0013227% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9855531508569249 (0.000618855% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9855520633527013 (0.000110345% change) linmin: converged after 6 iterations. iteration 9: trace = 0.9855516310521106 (4.38638e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9855514450622063 (1.88717e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.9855513230133151 (1.23838e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9855511986808408 (1.26155e-05% change) linmin: converged after 14 iterations. iteration 13: trace = 0.9855510508800431 (1.49968e-05% change) large trace change predicted (3.62683e-05%) linmin: converged after 4 iterations. iteration 14: trace = 0.9855506934425549 (3.62678e-05% change) large trace change predicted (0.000117862%) linmin: converged after 3 iterations. iteration 15: trace = 0.9855495321097341 (0.000117836% change) large trace change predicted (0.00166434%) linmin: converged after 7 iterations. iteration 16: trace = 0.9855348565844813 (0.00148908% change) near maximum in trace linmin: converged after 10 iterations. iteration 17: trace = 0.9854855136907122 (0.00500684% change) linmin: converged after 6 iterations. iteration 18: trace = 0.9854692412137787 (0.00165123% change) linmin: converged after 4 iterations. iteration 19: trace = 0.9854542312192751 (0.00152314% change) linmin: converged after 5 iterations. iteration 20: trace = 0.9854392662898253 (0.00151859% change) linmin: converged after 4 iterations. iteration 21: trace = 0.9854239738374098 (0.00155185% change) linmin: converged after 5 iterations. iteration 22: trace = 0.9854083703854308 (0.00158344% change) linmin: converged after 7 iterations. iteration 23: trace = 0.9853925763868612 (0.0016028% change) linmin: converged after 6 iterations. iteration 24: trace = 0.9853765755222155 (0.00162382% change) linmin: converged after 4 iterations. iteration 25: trace = 0.9853601724904575 (0.00166466% change) linmin: converged after 6 iterations. iteration 26: trace = 0.9853431529185689 (0.00172726% change) linmin: converged after 6 iterations. iteration 27: trace = 0.9853255062152675 (0.00179094% change) linmin: converged after 4 iterations. iteration 28: trace = 0.9853075669332334 (0.00182066% change) linmin: converged after 4 iterations. iteration 29: trace = 0.9852899530731823 (0.00178767% change) linmin: converged after 4 iterations. iteration 30: trace = 0.9852733064681282 (0.00168953% change) linmin: converged after 4 iterations. iteration 31: trace = 0.9852580378801779 (0.00154969% change) linmin: converged after 4 iterations. iteration 32: trace = 0.9852442584665031 (0.00139857% change) linmin: converged after 4 iterations. iteration 33: trace = 0.9852318665432616 (0.00125776% change) linmin: converged after 4 iterations. iteration 34: trace = 0.9852206658413795 (0.00113687% change) linmin: converged after 4 iterations. iteration 35: trace = 0.9852104475657839 (0.00103716% change) linmin: converged after 4 iterations. iteration 36: trace = 0.985201030587406 (0.000955839% change) linmin: converged after 4 iterations. iteration 37: trace = 0.9851922745104321 (0.000888764% change) linmin: converged after 6 iterations. iteration 38: trace = 0.985184078898952 (0.000831883% change) linmin: converged after 4 iterations. iteration 39: trace = 0.9851763765317376 (0.000781823% change) linmin: converged after 5 iterations. iteration 40: trace = 0.9851691247369359 (0.000736094% change) linmin: converged after 4 iterations. iteration 41: trace = 0.9851622968634405 (0.000693069% change) linmin: converged after 5 iterations. iteration 42: trace = 0.9851558749686684 (0.000651864% change) linmin: converged after 4 iterations. iteration 43: trace = 0.9851498442474425 (0.000612161% change) linmin: converged after 5 iterations. iteration 44: trace = 0.9851441893299313 (0.000574018% change) linmin: converged after 7 iterations. iteration 45: trace = 0.9851388922795947 (0.000537694% change) linmin: converged after 5 iterations. iteration 46: trace = 0.9851339319745713 (0.000503515% change) linmin: converged after 6 iterations. iteration 47: trace = 0.9851292842174566 (0.00047179% change) linmin: converged after 6 iterations. iteration 48: trace = 0.9851249227544374 (0.000442731% change) linmin: converged after 5 iterations. iteration 49: trace = 0.9851208201354336 (0.000416458% change) linmin: converged after 6 iterations. iteration 50: trace = 0.985116948670044 (0.000392995% change) linmin: converged after 6 iterations. iteration 51: trace = 0.9851132814158994 (0.000372267% change) linmin: converged after 4 iterations. iteration 52: trace = 0.985109792752574 (0.000354139% change) linmin: converged after 6 iterations. iteration 53: trace = 0.9851064589339564 (0.000338422% change) linmin: converged after 4 iterations. iteration 54: trace = 0.985103258433947 (0.000324889% change) linmin: converged after 5 iterations. iteration 55: trace = 0.9851001721178921 (0.000313299% change) linmin: converged after 6 iterations. iteration 56: trace = 0.9850971833422346 (0.000303399% change) linmin: converged after 6 iterations. iteration 57: trace = 0.9850942779612889 (0.000294934% change) linmin: converged after 5 iterations. iteration 58: trace = 0.9850914442739287 (0.000287657% change) linmin: converged after 6 iterations. iteration 59: trace = 0.9850886728973864 (0.000281332% change) linmin: converged after 8 iterations. iteration 60: trace = 0.9850859566438679 (0.000275737% change) linmin: converged after 3 iterations. iteration 61: trace = 0.985083290302922 (0.000270671% change) linmin: converged after 5 iterations. iteration 62: trace = 0.9850806704322035 (0.000265955% change) linmin: converged after 6 iterations. iteration 63: trace = 0.9850780951153988 (0.000261432% change) linmin: converged after 5 iterations. iteration 64: trace = 0.9850755636853383 (0.000256978% change) linmin: converged after 7 iterations. iteration 65: trace = 0.9850730764535367 (0.000252492% change) linmin: converged after 6 iterations. iteration 66: trace = 0.9850706344229587 (0.000247904% change) linmin: converged after 5 iterations. iteration 67: trace = 0.9850682390428733 (0.000243169% change) linmin: converged after 5 iterations. iteration 68: trace = 0.9850658919478763 (0.000238268% change) linmin: converged after 6 iterations. iteration 69: trace = 0.9850635947572814 (0.000233202% change) resetting CG direction... large trace change predicted (0.0412898%) linmin: converged after 4 iterations. iteration 70: trace = 0.9846563226321232 (0.0413533% change) linmin: converged after 4 iterations. iteration 71: trace = 0.9844601744110943 (0.0199225% change) linmin: converged after 4 iterations. iteration 72: trace = 0.9843700908035093 (0.00915098% change) linmin: converged after 5 iterations. iteration 73: trace = 0.9843454544632328 (0.00250278% change) linmin: converged after 5 iterations. iteration 74: trace = 0.9843309741800621 (0.00147107% change) linmin: converged after 3 iterations. iteration 75: trace = 0.9843269360335394 (0.000410244% change) linmin: converged after 3 iterations. iteration 76: trace = 0.984325925508553 (0.000102662% change) linmin: converged after 3 iterations. iteration 77: trace = 0.9843252602722731 (6.7583e-05% change) linmin: converged after 9 iterations. iteration 78: trace = 0.9843249585532741 (3.06524e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 0.984324827002671 (1.33646e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 0.9843247642174826 (6.3785e-06% change) linmin: converged after 21 iterations. iteration 81: trace = 0.9843247334142549 (3.12938e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 0.9843247239633147 (9.60145e-07% change) linmin: converged after 4 iterations. iteration 83: trace = 0.9843247200132017 (4.01302e-07% change) linmin: converged after 4 iterations. iteration 84: trace = 0.9843247177623149 (2.28673e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 0.9843247140412077 (3.78037e-07% change) large trace change predicted (8.17026e-07%) linmin: converged after 4 iterations. iteration 86: trace = 0.9843247059989855 (8.17029e-07% change) large trace change predicted (1.83753e-06%) linmin: converged after 4 iterations. iteration 87: trace = 0.9843246879119369 (1.83751e-06% change) linmin: converged after 3 iterations. iteration 88: trace = 0.9843246566951747 (3.17139e-06% change) linmin: converged after 15 iterations. iteration 89: trace = 0.9843246205606317 (3.671e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 0.9843246064917273 (1.4293e-06% change) linmin: converged after 5 iterations. iteration 91: trace = 0.9843246017421499 (4.82521e-07% change) linmin: converged after 3 iterations. iteration 92: trace = 0.9843246002813074 (1.48411e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 0.9843245999240422 (3.62955e-08% change) linmin: converged after 3 iterations. iteration 94: trace = 0.9843245998040482 (1.21905e-08% change) linmin: converged after 4 iterations. iteration 95: trace = 0.9843245997561223 (4.86891e-09% change) linmin: converged after 3 iterations. iteration 96: trace = 0.9843245997430943 (1.32355e-09% change) linmin: converged after 4 iterations. iteration 97: trace = 0.9843245997404594 (2.67685e-10% change) linmin: converged after 5 iterations. iteration 98: trace = 0.9843245997396673 (8.04646e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 elapsed time for k point: 0.6914100646972656 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9646769163082063 (2.39738% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9596027655498416 (0.527382% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9585165712859467 (0.113256% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9579432893176263 (0.0598272% change) linmin: converged after 4 iterations. iteration 5: trace = 0.957753478271237 (0.0198164% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9577044743110649 (0.00511668% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9576786087113478 (0.00270083% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9576698781006379 (0.000911647% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9576629132448566 (0.000727274% change) linmin: converged after 6 iterations. iteration 10: trace = 0.9576596029412843 (0.000345665% change) linmin: converged after 4 iterations. iteration 11: trace = 0.9576578418244525 (0.000183898% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9576568119851189 (0.000107537% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9576563729712588 (4.58425e-05% change) linmin: converged after 19 iterations. iteration 14: trace = 0.9576561629432221 (2.19315e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9576560823100085 (8.41985e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9576560023094209 (8.35379e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 0.9576558845381139 (1.22979e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.9576557606446515 (1.29372e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.9576556898706394 (7.39034e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9576556668427911 (2.40461e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9576556603473727 (6.78262e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.957655658603465 (1.82102e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9576556582296492 (3.90345e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.9576556581384016 (9.52822e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9576556581169053 (2.24467e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.9576556581121123 (5.00499e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.9576556581107218 (1.45192e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.9576556581103823 (3.54518e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 elapsed time for k point: 0.20156121253967285 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9479336872150527 (2.3896% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9430867597778365 (0.512626% change) linmin: converged after 4 iterations. iteration 3: trace = 0.941981873965237 (0.117225% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9413709083882282 (0.0648806% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9411784896544571 (0.0204424% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9411437673764198 (0.0036893% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9411282197691544 (0.001652% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9411228844482352 (0.000566909% change) linmin: converged after 7 iterations. iteration 9: trace = 0.941117722411677 (0.000548499% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9411142194231239 (0.000372216% change) linmin: converged after 6 iterations. iteration 11: trace = 0.9411125302492718 (0.000179487% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9411116700164435 (9.1406e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9411114151351252 (2.7083e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.941111312557934 (1.08996e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9411112840457978 (3.02962e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9411112731925684 (1.15324e-06% change) linmin: converged after 26 iterations. iteration 17: trace = 0.9411112675855979 (5.95782e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 0.9411112644312605 (3.35172e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9411112620729626 (2.50587e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9411112600571808 (2.14192e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9411112586302771 (1.51619e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9411112579896637 (6.80699e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.941111257817919 (1.82491e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9411112577748142 (4.58021e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.9411112577644222 (1.10423e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.941111257762292 (2.26348e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 0.9411112577617193 (6.08486e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 elapsed time for k point: 0.19347071647644043 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9431496225335785 (2.3985% change) linmin: converged after 5 iterations. iteration 2: trace = 0.9380796204968544 (0.539009% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9367721035397323 (0.13948% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9359917825716043 (0.0833336% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9357711657243539 (0.0235732% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9357390464145803 (0.00343245% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9357282065214862 (0.00115844% change) linmin: converged after 4 iterations. iteration 8: trace = 0.935726090656777 (0.00022612% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9357251462394749 (0.000100929% change) linmin: converged after 2 iterations. iteration 10: trace = 0.9357245153926679 (6.7418e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 0.935724118685711 (4.23957e-05% change) linmin: converged after 17 iterations. iteration 12: trace = 0.9357237683382605 (3.74413e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9357236170895014 (1.61638e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9357235495974339 (7.21282e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9357235309444131 (1.99343e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9357235256266005 (5.6831e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9357235236195143 (2.14496e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9357235229374928 (7.28871e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9357235227208449 (2.3153e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9357235226594707 (6.55901e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9357235226426122 (1.80166e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9357235226371357 (5.8527e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9357235226350287 (2.25171e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9357235226340201 (1.0778e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 0.9357235226332373 (8.36591e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 elapsed time for k point: 0.1791853904724121 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9531656172626821 (2.95521% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9465651869298922 (0.694881% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9460975825933921 (0.0494123% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9458503027170811 (0.0261402% change) linmin: converged after 3 iterations. iteration 5: trace = 0.9458090123516516 (0.00436552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9457956329513351 (0.00141461% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9457917144910897 (0.000414304% change) linmin: converged after 3 iterations. iteration 8: trace = 0.9457908288630771 (9.36388e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 0.9457904833985004 (3.65265e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 0.9457903738934191 (1.15782e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 0.9457903287956915 (4.76826e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 0.9457903098667371 (2.00139e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.945790300833286 (9.55122e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9457902938373184 (7.39695e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9457902889826169 (5.13296e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9457902856358911 (3.53855e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9457902842649593 (1.44951e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9457902838788874 (4.082e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9457902837821091 (1.02325e-08% change) linmin: converged after 6 iterations. iteration 20: trace = 0.9457902837614061 (2.18896e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.9457902837571451 (4.50515e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 0.9457902837561455 (1.05694e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.945790283755921 (2.37354e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 elapsed time for k point: 0.16534924507141113 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9838330564819231 (2.82864% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9767698261618407 (0.720516% change) linmin: converged after 3 iterations. iteration 3: trace = 0.975990834248063 (0.0797837% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9754521141782281 (0.0552125% change) linmin: converged after 4 iterations. iteration 5: trace = 0.975343923966862 (0.0110919% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9752879087036856 (0.00574329% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9752720379978688 (0.0016273% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9752675452795285 (0.000460664% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9752661173620061 (0.000146413% change) linmin: converged after 3 iterations. iteration 10: trace = 0.9752657982804043 (3.27174e-05% change) linmin: converged after 8 iterations. iteration 11: trace = 0.9752656737712461 (1.27667e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.975265598656986 (7.70193e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 0.9752655199382996 (8.07151e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 0.975265458605133 (6.28887e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9752654363667408 (2.28024e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 0.9752654288851366 (7.67135e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9752654270617361 (1.86965e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9752654266193436 (4.53612e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9752654264923916 (1.30172e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9752654264573508 (3.59294e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.9752654264468741 (1.07424e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9752654264434993 (3.46033e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9752654264424245 (1.10207e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9752654264419814 (4.54328e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 elapsed time for k point: 0.17235398292541504 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.031310457525339 (2.74381% change) linmin: converged after 4 iterations. iteration 2: trace = 1.023001395901209 (0.808939% change) linmin: converged after 4 iterations. iteration 3: trace = 1.020944596104372 (0.201258% change) linmin: converged after 5 iterations. iteration 4: trace = 1.019196682336968 (0.171352% change) linmin: converged after 4 iterations. iteration 5: trace = 1.018718077778314 (0.04697% change) linmin: converged after 3 iterations. iteration 6: trace = 1.018308274746612 (0.0402354% change) linmin: converged after 4 iterations. iteration 7: trace = 1.018176585208324 (0.012933% change) linmin: converged after 4 iterations. iteration 8: trace = 1.018122381585613 (0.00532374% change) linmin: converged after 3 iterations. iteration 9: trace = 1.018108141501955 (0.00139867% change) linmin: converged after 3 iterations. iteration 10: trace = 1.01810468837719 (0.000339171% change) linmin: converged after 4 iterations. iteration 11: trace = 1.018103724639192 (9.46601e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 1.018103471304881 (2.4883e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.018103337799628 (1.31131e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.018103254441739 (8.18757e-06% change) linmin: converged after 17 iterations. iteration 15: trace = 1.018103204661031 (4.88955e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 1.018103175566654 (2.8577e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.018103161363209 (1.39509e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 1.018103152357129 (8.84594e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.018103147246914 (5.01935e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.018103144530303 (2.66831e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 1.018103143433503 (1.0773e-07% change) linmin: converged after 16 iterations. iteration 22: trace = 1.018103143020116 (4.06036e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.018103142868816 (1.4861e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 1.018103142826693 (4.13738e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.018103142813693 (1.27687e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 1.018103142809127 (4.48537e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.018103142807081 (2.00889e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.018103142806048 (1.01546e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.018103142805607 (4.32485e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 elapsed time for k point: 0.2075943946838379 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. iteration 1: trace = 1.077079219748294 (2.88237% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066262027914489 (1.00938% change) linmin: converged after 7 iterations. iteration 3: trace = 1.059824264961903 (0.605598% change) linmin: converged after 5 iterations. iteration 4: trace = 1.056454446691333 (0.318466% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055117395208793 (0.12664% change) linmin: converged after 7 iterations. iteration 6: trace = 1.053973327355148 (0.108489% change) linmin: converged after 4 iterations. iteration 7: trace = 1.053442526128483 (0.0503746% change) linmin: converged after 4 iterations. iteration 8: trace = 1.053206381305628 (0.022419% change) linmin: converged after 3 iterations. iteration 9: trace = 1.053116219805339 (0.00856103% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053071769622508 (0.00422091% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053056103815011 (0.00148764% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053047222787794 (0.000843361% change) linmin: converged after 5 iterations. iteration 13: trace = 1.053042139513933 (0.000482722% change) linmin: converged after 5 iterations. iteration 14: trace = 1.053037941123147 (0.000398692% change) linmin: converged after 5 iterations. iteration 15: trace = 1.053035343143514 (0.000246713% change) linmin: converged after 5 iterations. iteration 16: trace = 1.053034079935653 (0.000119959% change) linmin: converged after 5 iterations. iteration 17: trace = 1.053033595937136 (4.59623e-05% change) linmin: converged after 7 iterations. iteration 18: trace = 1.053033362151741 (2.22011e-05% change) linmin: converged after 9 iterations. iteration 19: trace = 1.053033220622987 (1.34401e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 1.053033136180599 (8.01897e-06% change) linmin: converged after 10 iterations. iteration 21: trace = 1.053033092856761 (4.1142e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053033069955637 (2.17478e-06% change) linmin: converged after 20 iterations. iteration 23: trace = 1.053033056567452 (1.27139e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.053033050086778 (6.15429e-07% change) linmin: converged after 7 iterations. iteration 25: trace = 1.053033046929906 (2.99788e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 1.053033045492603 (1.36492e-07% change) linmin: converged after 30 iterations. iteration 27: trace = 1.053033044713362 (7.39996e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.05303304419562 (4.91668e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 1.05303304381155 (3.64727e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 1.05303304357991 (2.19975e-08% change) linmin: converged after 12 iterations. iteration 31: trace = 1.053033043469699 (1.0466e-08% change) linmin: converged after 7 iterations. iteration 32: trace = 1.053033043429301 (3.8363e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 1.0530330434156 (1.3011e-09% change) linmin: converged after 13 iterations. iteration 34: trace = 1.053033043410165 (5.16106e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.053033043407258 (2.7606e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 1.053033043404644 (2.4829e-10% change) linmin: converged after 9 iterations. iteration 37: trace = 1.053033043402348 (2.1801e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.053033043401221 (1.07055e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 1.053033043400877 (3.26625e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 elapsed time for k point: 0.2774796485900879 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.125418509190836 (26.786% change) linmin: converged after 6 iterations. iteration 2: trace = 1.086199374680966 (3.54665% change) linmin: converged after 4 iterations. iteration 3: trace = 1.077433840602779 (0.810261% change) linmin: converged after 5 iterations. iteration 4: trace = 1.070916422402577 (0.606737% change) linmin: converged after 5 iterations. iteration 5: trace = 1.067955177230516 (0.276898% change) linmin: converged after 4 iterations. iteration 6: trace = 1.066404296467224 (0.145325% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065591405105607 (0.0762564% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065169288340976 (0.0396212% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064947504768299 (0.0208236% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064821092340354 (0.011871% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064775779630051 (0.00425552% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064759862322812 (0.00149491% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064754343598675 (0.000518308% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064752586160355 (0.000165056% change) linmin: converged after 6 iterations. iteration 15: trace = 1.06475193418626 (6.12325e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.064751716375277 (2.04565e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064751641473009 (7.03472e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.064751608763356 (3.07205e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.06475159444411 (1.34484e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064751588378962 (5.6963e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064751585065904 (3.11158e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.064751582775834 (2.1508e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.064751581427304 (1.26652e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.064751580863343 (5.29664e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.064751580697916 (1.55367e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064751580656116 (3.92583e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.064751580642665 (1.2633e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.06475158063819 (4.20211e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.064751580636453 (1.63184e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 1.064751580635709 (6.98613e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 elapsed time for k point: 0.11260199546813965 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 9 iterations. iteration 1: trace = 1.083139123993515 (4.15252% change) linmin: converged after 8 iterations. iteration 2: trace = 1.067759464050544 (1.43007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.058743055847533 (0.848004% change) linmin: converged after 4 iterations. iteration 4: trace = 1.055821359692891 (0.27634% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055194292753252 (0.059409% change) linmin: converged after 4 iterations. iteration 6: trace = 1.054515707102696 (0.0643298% change) linmin: converged after 4 iterations. iteration 7: trace = 1.054199358517807 (0.0300039% change) linmin: converged after 4 iterations. iteration 8: trace = 1.054015026128709 (0.0174871% change) linmin: converged after 4 iterations. iteration 9: trace = 1.053945642710522 (0.00658299% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053916462348828 (0.00276872% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053905508373106 (0.00103936% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053902318616982 (0.000302661% change) linmin: converged after 3 iterations. iteration 13: trace = 1.053901410289628 (8.61871e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.053901190385522 (2.08657e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.053901094722907 (9.077e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.053901042329603 (4.97137e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.053901016387587 (2.46152e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.053901002297739 (1.33692e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.053900994619984 (7.28508e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.053900989320632 (5.02832e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053900987123137 (2.08511e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053900986524413 (5.68102e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.053900986366484 (1.49852e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 1.053900986325053 (3.93117e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.053900986310451 (1.38559e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 1.053900986303701 (6.40492e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.053900986300592 (2.94985e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.05390098629891 (1.59575e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 1.0539009862981 (7.6817e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 elapsed time for k point: 0.20766282081604004 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065595398928579 (3.90048% change) linmin: converged after 6 iterations. iteration 2: trace = 1.05545012730131 (0.956629% change) linmin: converged after 4 iterations. iteration 3: trace = 1.052399474005146 (0.289456% change) linmin: converged after 4 iterations. iteration 4: trace = 1.05104742363618 (0.128556% change) linmin: converged after 4 iterations. iteration 5: trace = 1.050891451863719 (0.0148408% change) linmin: converged after 4 iterations. iteration 6: trace = 1.050820039910738 (0.0067956% change) linmin: converged after 4 iterations. iteration 7: trace = 1.050776389407954 (0.00415403% change) linmin: converged after 22 iterations. iteration 8: trace = 1.050735518700124 (0.00388965% change) linmin: converged after 9 iterations. iteration 9: trace = 1.050712406629498 (0.00219963% change) linmin: converged after 5 iterations. iteration 10: trace = 1.050703645182211 (0.000833861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.05070052794763 (0.000296681% change) linmin: converged after 5 iterations. iteration 12: trace = 1.050699532774888 (9.47152e-05% change) linmin: converged after 7 iterations. iteration 13: trace = 1.050699177150718 (3.38464e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.050699067583428 (1.0428e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.050699026853781 (3.87643e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.050699005022337 (2.0778e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.05069898996691 (1.4329e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.050698977063516 (1.22808e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.050698967444914 (9.15448e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.05069896036237 (6.74079e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.050698956757341 (3.43108e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.050698955164584 (1.5159e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.050698954594422 (5.42651e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.050698954368867 (2.14671e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 1.050698954208976 (1.52176e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.050698954069499 (1.32747e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.050698953980485 (8.4719e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.05069895394582 (3.29923e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.050698953935617 (9.71084e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.050698953931685 (3.74182e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.050698953929971 (1.63126e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 1.050698953929234 (7.01406e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 elapsed time for k point: 0.22975993156433105 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.088279540873554 (4.02105% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078010312383157 (0.948094% change) linmin: converged after 3 iterations. iteration 3: trace = 1.076219990626864 (0.166215% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075124540387689 (0.101839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.07488881031914 (0.0219282% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074611210358773 (0.0258293% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074337620664562 (0.0254627% change) linmin: converged after 4 iterations. iteration 8: trace = 1.07413313855772 (0.0190351% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074051063054056 (0.00764138% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074029420989965 (0.00201501% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074020142121589 (0.000863934% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074016815860834 (0.000309702% change) linmin: converged after 5 iterations. iteration 13: trace = 1.074015086574427 (0.000161011% change) linmin: converged after 6 iterations. iteration 14: trace = 1.074014221795601 (8.05183e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.074013421483326 (7.4516e-05% change) large trace change predicted (0.000149807%) linmin: converged after 5 iterations. iteration 16: trace = 1.074011812469476 (0.000149813% change) large trace change predicted (0.000490882%) linmin: converged after 10 iterations. iteration 17: trace = 1.074006542454389 (0.000490686% change) large trace change predicted (0.00906198%) linmin: converged after 6 iterations. iteration 18: trace = 1.073941701043524 (0.00603752% change) large trace change predicted (0.0314784%) linmin: converged after 12 iterations. iteration 19: trace = 1.073871054644488 (0.00657845% change) linmin: converged after 7 iterations. iteration 20: trace = 1.073836865045437 (0.00318382% change) linmin: converged after 4 iterations. iteration 21: trace = 1.073810051812881 (0.00249699% change) linmin: converged after 4 iterations. iteration 22: trace = 1.073786930252984 (0.00215325% change) linmin: converged after 5 iterations. iteration 23: trace = 1.073765951855709 (0.0019537% change) linmin: converged after 4 iterations. iteration 24: trace = 1.073746099954997 (0.00184883% change) linmin: converged after 4 iterations. iteration 25: trace = 1.07372654968384 (0.00182077% change) linmin: converged after 4 iterations. iteration 26: trace = 1.07370665270057 (0.00185309% change) linmin: converged after 4 iterations. iteration 27: trace = 1.073686048065295 (0.00191904% change) linmin: converged after 5 iterations. iteration 28: trace = 1.073664807517757 (0.0019783% change) linmin: converged after 5 iterations. iteration 29: trace = 1.073643487597951 (0.00198573% change) linmin: converged after 4 iterations. iteration 30: trace = 1.073622933050627 (0.00191449% change) linmin: converged after 4 iterations. iteration 31: trace = 1.073603845346755 (0.00177789% change) linmin: converged after 6 iterations. iteration 32: trace = 1.073586422595537 (0.00162284% change) linmin: converged after 5 iterations. iteration 33: trace = 1.073570337616839 (0.00149826% change) linmin: converged after 6 iterations. iteration 34: trace = 1.073554964235346 (0.001432% change) linmin: converged after 4 iterations. iteration 35: trace = 1.07353962913353 (0.00142845% change) linmin: converged after 4 iterations. iteration 36: trace = 1.07352380058229 (0.00147444% change) linmin: converged after 4 iterations. iteration 37: trace = 1.07350721916049 (0.00154459% change) linmin: converged after 4 iterations. iteration 38: trace = 1.073489950025206 (0.00160868% change) linmin: converged after 4 iterations. iteration 39: trace = 1.073472300742344 (0.00164412% change) linmin: converged after 4 iterations. iteration 40: trace = 1.073454608133454 (0.00164818% change) linmin: converged after 4 iterations. iteration 41: trace = 1.073437013942841 (0.00163904% change) linmin: converged after 4 iterations. iteration 42: trace = 1.073419364058392 (0.00164425% change) linmin: converged after 4 iterations. iteration 43: trace = 1.073401253309573 (0.00168722% change) linmin: converged after 4 iterations. iteration 44: trace = 1.073382150317043 (0.00177969% change) linmin: converged after 4 iterations. iteration 45: trace = 1.07336154432539 (0.00191974% change) linmin: converged after 4 iterations. iteration 46: trace = 1.073339086928109 (0.00209227% change) linmin: converged after 4 iterations. iteration 47: trace = 1.073314699937172 (0.00227209% change) linmin: converged after 4 iterations. iteration 48: trace = 1.073288605942993 (0.00243119% change) linmin: converged after 4 iterations. iteration 49: trace = 1.073261255811686 (0.00254829% change) linmin: converged after 4 iterations. iteration 50: trace = 1.073233183714413 (0.00261562% change) linmin: converged after 4 iterations. iteration 51: trace = 1.073204865455954 (0.00263863% change) linmin: converged after 4 iterations. iteration 52: trace = 1.073176643673077 (0.00262971% change) linmin: converged after 4 iterations. iteration 53: trace = 1.073148730865096 (0.00260099% change) linmin: converged after 4 iterations. iteration 54: trace = 1.073121259315561 (0.00255993% change) linmin: converged after 4 iterations. iteration 55: trace = 1.07309433867515 (0.00250866% change) linmin: converged after 5 iterations. iteration 56: trace = 1.073068095131715 (0.00244563% change) linmin: converged after 6 iterations. iteration 57: trace = 1.073042683039002 (0.0023682% change) linmin: converged after 4 iterations. iteration 58: trace = 1.07301827264155 (0.0022749% change) linmin: converged after 4 iterations. iteration 59: trace = 1.072995024705294 (0.00216662% change) linmin: converged after 4 iterations. iteration 60: trace = 1.072973064582972 (0.00204664% change) linmin: converged after 4 iterations. iteration 61: trace = 1.072952465308809 (0.00191985% change) linmin: converged after 4 iterations. iteration 62: trace = 1.072933243744828 (0.00179148% change) linmin: converged after 4 iterations. iteration 63: trace = 1.072915368319464 (0.00166605% change) linmin: converged after 4 iterations. iteration 64: trace = 1.072898773564854 (0.00154671% change) linmin: converged after 4 iterations. iteration 65: trace = 1.072883375990663 (0.00143515% change) linmin: converged after 6 iterations. iteration 66: trace = 1.0728690870667 (0.00133183% change) linmin: converged after 4 iterations. iteration 67: trace = 1.072855821086758 (0.0012365% change) linmin: converged after 5 iterations. iteration 68: trace = 1.072843497615136 (0.00114867% change) linmin: converged after 4 iterations. iteration 69: trace = 1.072832039669942 (0.001068% change) resetting CG direction... large trace change predicted (0.0590982%) linmin: converged after 3 iterations. iteration 70: trace = 1.072198123213173 (0.0591056% change) linmin: converged after 3 iterations. iteration 71: trace = 1.071347118239733 (0.0794016% change) linmin: converged after 5 iterations. iteration 72: trace = 1.070541463028519 (0.0752285% change) linmin: converged after 5 iterations. iteration 73: trace = 1.069893830565265 (0.0605141% change) linmin: converged after 4 iterations. iteration 74: trace = 1.069675879075328 (0.0203734% change) linmin: converged after 4 iterations. iteration 75: trace = 1.069604565077048 (0.0066671% change) linmin: converged after 4 iterations. iteration 76: trace = 1.069582041223729 (0.00210583% change) linmin: converged after 4 iterations. iteration 77: trace = 1.069571765034444 (0.000960771% change) linmin: converged after 3 iterations. iteration 78: trace = 1.069569886835617 (0.000175603% change) linmin: converged after 24 iterations. iteration 79: trace = 1.06956893456843 (8.90328e-05% change) linmin: converged after 4 iterations. iteration 80: trace = 1.069568397381592 (5.02246e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 1.069567984275286 (3.86237e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 1.069567784172026 (1.87088e-05% change) linmin: converged after 10 iterations. iteration 83: trace = 1.069567559606956 (2.09959e-05% change) linmin: converged after 4 iterations. iteration 84: trace = 1.06956739532616 (1.53596e-05% change) linmin: converged after 3 iterations. iteration 85: trace = 1.069567279689921 (1.08115e-05% change) linmin: converged after 7 iterations. iteration 86: trace = 1.069567202427575 (7.2237e-06% change) linmin: converged after 13 iterations. iteration 87: trace = 1.069567123735572 (7.35737e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 1.069566990372406 (1.24689e-05% change) linmin: converged after 4 iterations. iteration 89: trace = 1.069566806435123 (1.71974e-05% change) linmin: converged after 18 iterations. iteration 90: trace = 1.069566611505561 (1.82251e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 1.069566258368391 (3.30169e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 1.069565649811474 (5.68976e-05% change) large trace change predicted (0.000165074%) linmin: converged after 4 iterations. iteration 93: trace = 1.069563887345637 (0.000164783% change) large trace change predicted (0.000584339%) linmin: converged after 6 iterations. iteration 94: trace = 1.069557815178935 (0.000567725% change) large trace change predicted (0.00612923%) linmin: converged after 7 iterations. iteration 95: trace = 1.069531840301829 (0.00242859% change) linmin: converged after 7 iterations. iteration 96: trace = 1.06951158152307 (0.00189419% change) linmin: converged after 7 iterations. iteration 97: trace = 1.06949650195719 (0.00140996% change) linmin: converged after 7 iterations. iteration 98: trace = 1.069483719262493 (0.00119521% change) linmin: converged after 6 iterations. iteration 99: trace = 1.069471280069923 (0.00116311% change) linmin: converged after 5 iterations. iteration 100: trace = 1.069459236278697 (0.00112615% change) linmin: converged after 6 iterations. iteration 101: trace = 1.069448853527677 (0.000970846% change) linmin: converged after 9 iterations. iteration 102: trace = 1.069440425309504 (0.000788093% change) linmin: converged after 6 iterations. iteration 103: trace = 1.069433418690631 (0.000655169% change) linmin: converged after 7 iterations. iteration 104: trace = 1.069427354305229 (0.000567067% change) linmin: converged after 7 iterations. iteration 105: trace = 1.069421994829825 (0.000501155% change) linmin: converged after 7 iterations. iteration 106: trace = 1.06941724042802 (0.000444578% change) linmin: converged after 5 iterations. iteration 107: trace = 1.069413025117769 (0.00039417% change) linmin: converged after 5 iterations. iteration 108: trace = 1.069409275547888 (0.00035062% change) linmin: converged after 8 iterations. iteration 109: trace = 1.069405911972547 (0.000314527% change) linmin: converged after 6 iterations. iteration 110: trace = 1.069402860891335 (0.000285307% change) linmin: converged after 5 iterations. iteration 111: trace = 1.069400062375236 (0.00026169% change) linmin: converged after 7 iterations. iteration 112: trace = 1.069397472713876 (0.00024216% change) linmin: converged after 6 iterations. iteration 113: trace = 1.069395060383547 (0.000225579% change) linmin: converged after 9 iterations. iteration 114: trace = 1.069392801032389 (0.000211274% change) linmin: converged after 8 iterations. iteration 115: trace = 1.069390673738402 (0.000198926% change) linmin: converged after 6 iterations. iteration 116: trace = 1.069388657714768 (0.000188521% change) linmin: converged after 6 iterations. iteration 117: trace = 1.069386731644227 (0.00018011% change) linmin: converged after 5 iterations. iteration 118: trace = 1.069384873730894 (0.000173736% change) linmin: converged after 5 iterations. iteration 119: trace = 1.069383062883039 (0.000169336% change) linmin: converged after 10 iterations. iteration 120: trace = 1.069381280066676 (0.000166715% change) linmin: converged after 7 iterations. iteration 121: trace = 1.069379509487148 (0.000165571% change) linmin: converged after 8 iterations. iteration 122: trace = 1.069377739525456 (0.000165513% change) linmin: converged after 6 iterations. iteration 123: trace = 1.069375963507896 (0.00016608% change) linmin: converged after 10 iterations. iteration 124: trace = 1.069374179731154 (0.000166806% change) linmin: converged after 5 iterations. iteration 125: trace = 1.069372391031961 (0.000167266% change) linmin: converged after 7 iterations. iteration 126: trace = 1.069370603907787 (0.000167119% change) linmin: converged after 10 iterations. iteration 127: trace = 1.069368827217261 (0.000166144% change) linmin: converged after 5 iterations. iteration 128: trace = 1.069367070674866 (0.00016426% change) linmin: converged after 6 iterations. iteration 129: trace = 1.069365343459912 (0.000161518% change) linmin: converged after 6 iterations. iteration 130: trace = 1.069363653232463 (0.000158059% change) linmin: converged after 6 iterations. iteration 131: trace = 1.06936200548704 (0.000154087% change) linmin: converged after 7 iterations. iteration 132: trace = 1.069360403300531 (0.000149827% change) linmin: converged after 14 iterations. iteration 133: trace = 1.069358847548523 (0.000145484% change) linmin: converged after 6 iterations. iteration 134: trace = 1.069357337356084 (0.000141224% change) linmin: converged after 7 iterations. iteration 135: trace = 1.069355870473734 (0.000137174% change) linmin: converged after 6 iterations. iteration 136: trace = 1.069354443947797 (0.000133401% change) linmin: converged after 8 iterations. iteration 137: trace = 1.069353054482242 (0.000129935% change) linmin: converged after 5 iterations. iteration 138: trace = 1.069351698944842 (0.000126762% change) linmin: converged after 8 iterations. iteration 139: trace = 1.069350374574078 (0.000123848% change) resetting CG direction... large trace change predicted (0.014546%) linmin: converged after 4 iterations. iteration 140: trace = 1.069194674078868 (0.0145613% change) linmin: converged after 3 iterations. iteration 141: trace = 1.069117229618983 (0.00724351% change) linmin: converged after 3 iterations. iteration 142: trace = 1.069075435411627 (0.0039093% change) linmin: converged after 4 iterations. iteration 143: trace = 1.069028118000609 (0.00442611% change) linmin: converged after 5 iterations. iteration 144: trace = 1.068963764327453 (0.00602001% change) linmin: converged after 5 iterations. iteration 145: trace = 1.068914031982284 (0.0046525% change) linmin: converged after 7 iterations. iteration 146: trace = 1.06885669529657 (0.00536416% change) linmin: converged after 6 iterations. iteration 147: trace = 1.068800655539407 (0.0052431% change) linmin: converged after 3 iterations. iteration 148: trace = 1.068757373421296 (0.00404968% change) linmin: converged after 5 iterations. iteration 149: trace = 1.06871741940429 (0.00373843% change) linmin: converged after 9 iterations. iteration 150: trace = 1.068678935993993 (0.00360096% change) linmin: converged after 6 iterations. iteration 151: trace = 1.068654694120156 (0.00226842% change) linmin: converged after 5 iterations. iteration 152: trace = 1.068642743934376 (0.00111825% change) linmin: converged after 5 iterations. iteration 153: trace = 1.068637179155169 (0.000520735% change) linmin: converged after 8 iterations. iteration 154: trace = 1.068633795993423 (0.000316587% change) linmin: converged after 8 iterations. iteration 155: trace = 1.068631062838858 (0.000255762% change) linmin: converged after 5 iterations. iteration 156: trace = 1.06862861063566 (0.000229472% change) linmin: converged after 7 iterations. iteration 157: trace = 1.068627264826065 (0.000125938% change) linmin: converged after 5 iterations. iteration 158: trace = 1.068626757620196 (4.74633e-05% change) linmin: converged after 4 iterations. iteration 159: trace = 1.068626630711401 (1.18759e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 1.068626598200819 (3.04228e-06% change) linmin: converged after 8 iterations. iteration 161: trace = 1.068626583537483 (1.37217e-06% change) linmin: converged after 4 iterations. iteration 162: trace = 1.068626572382386 (1.04387e-06% change) linmin: converged after 3 iterations. iteration 163: trace = 1.068626562840985 (8.92866e-07% change) linmin: converged after 7 iterations. iteration 164: trace = 1.068626555549581 (6.82315e-07% change) linmin: converged after 15 iterations. iteration 165: trace = 1.068626551021941 (4.23688e-07% change) linmin: converged after 4 iterations. iteration 166: trace = 1.06862654726605 (3.51469e-07% change) linmin: converged after 4 iterations. iteration 167: trace = 1.068626545007675 (2.11334e-07% change) linmin: converged after 9 iterations. iteration 168: trace = 1.068626543631622 (1.28768e-07% change) linmin: converged after 5 iterations. iteration 169: trace = 1.068626542457055 (1.09914e-07% change) linmin: converged after 4 iterations. iteration 170: trace = 1.068626540775745 (1.57334e-07% change) large trace change predicted (3.15175e-07%) linmin: converged after 7 iterations. iteration 171: trace = 1.068626537407016 (3.15239e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 1.068626533723195 (3.44725e-07% change) linmin: converged after 21 iterations. iteration 173: trace = 1.068626531663351 (1.92756e-07% change) linmin: converged after 12 iterations. iteration 174: trace = 1.068626530817167 (7.91843e-08% change) linmin: converged after 12 iterations. iteration 175: trace = 1.068626530497293 (2.99332e-08% change) linmin: converged after 7 iterations. iteration 176: trace = 1.068626530333551 (1.53227e-08% change) linmin: converged after 4 iterations. iteration 177: trace = 1.068626530258664 (7.00774e-09% change) linmin: converged after 6 iterations. iteration 178: trace = 1.068626530162968 (8.95508e-09% change) large trace change predicted (2.12929e-08%) linmin: converged after 4 iterations. iteration 179: trace = 1.068626529935186 (2.13153e-08% change) linmin: converged after 8 iterations. iteration 180: trace = 1.06862652955323 (3.57428e-08% change) linmin: converged after 5 iterations. iteration 181: trace = 1.068626528973315 (5.42673e-08% change) linmin: converged after 4 iterations. iteration 182: trace = 1.068626528427385 (5.10871e-08% change) linmin: converged after 5 iterations. iteration 183: trace = 1.06862652772693 (6.55472e-08% change) linmin: converged after 5 iterations. iteration 184: trace = 1.06862652690388 (7.70194e-08% change) linmin: converged after 3 iterations. iteration 185: trace = 1.068626526189199 (6.68785e-08% change) linmin: converged after 4 iterations. iteration 186: trace = 1.068626525702382 (4.55554e-08% change) linmin: converged after 9 iterations. iteration 187: trace = 1.068626525445897 (2.40013e-08% change) linmin: converged after 3 iterations. iteration 188: trace = 1.068626525378705 (6.28772e-09% change) linmin: converged after 4 iterations. iteration 189: trace = 1.068626525351078 (2.58526e-09% change) linmin: converged after 3 iterations. iteration 190: trace = 1.06862652533912 (1.11901e-09% change) linmin: converged after 3 iterations. iteration 191: trace = 1.068626525324242 (1.39231e-09% change) linmin: converged after 3 iterations. iteration 192: trace = 1.068626525309263 (1.4017e-09% change) linmin: converged after 4 iterations. iteration 193: trace = 1.068626525303099 (5.7679e-10% change) linmin: converged after 4 iterations. iteration 194: trace = 1.068626525300159 (2.7517e-10% change) linmin: converged after 5 iterations. iteration 195: trace = 1.068626525298999 (1.08505e-10% change) linmin: converged after 3 iterations. iteration 196: trace = 1.068626525298606 (3.68195e-11% change) Finished solving for bands 1 to 5 after 196 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 elapsed time for k point: 1.376673698425293 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.09676373046218 (4.83164% change) linmin: converged after 4 iterations. iteration 2: trace = 1.082691277589466 (1.29137% change) linmin: converged after 3 iterations. iteration 3: trace = 1.079957260528795 (0.25284% change) linmin: converged after 5 iterations. iteration 4: trace = 1.07764773731734 (0.214082% change) linmin: converged after 4 iterations. iteration 5: trace = 1.076735253705281 (0.0847095% change) linmin: converged after 5 iterations. iteration 6: trace = 1.075213699012749 (0.141412% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074492218765974 (0.0671236% change) linmin: converged after 3 iterations. iteration 8: trace = 1.074213739467549 (0.0259207% change) linmin: converged after 3 iterations. iteration 9: trace = 1.074138188251446 (0.00703341% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074123932232067 (0.00132721% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074120393735298 (0.000329432% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074119608461603 (7.31086e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.074119350205694 (2.40435e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.074119193446577 (1.45942e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.074119086979259 (9.91206e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 1.07411899846238 (8.24088e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074118951624113 (4.36062e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074118930569966 (1.96013e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.074118922703944 (7.32323e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074118920440504 (2.10725e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074118919553628 (8.25677e-08% change) linmin: converged after 20 iterations. iteration 22: trace = 1.074118918883232 (6.24136e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.074118918125842 (7.05127e-08% change) linmin: converged after 24 iterations. iteration 24: trace = 1.074118917274336 (7.92748e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074118916478545 (7.40878e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074118915076856 (1.30497e-07% change) large trace change predicted (3.47216e-07%) linmin: converged after 2 iterations. iteration 27: trace = 1.074118911347338 (3.47216e-07% change) large trace change predicted (1.06055e-06%) linmin: converged after 2 iterations. iteration 28: trace = 1.074118899955731 (1.06055e-06% change) large trace change predicted (3.74552e-06%) linmin: converged after 4 iterations. iteration 29: trace = 1.074118859726342 (3.74534e-06% change) large trace change predicted (2.30294e-05%) linmin: converged after 6 iterations. iteration 30: trace = 1.074118613396065 (2.29332e-05% change) near maximum in trace linmin: converged after 14 iterations. iteration 31: trace = 1.074108656646908 (0.000926974% change) linmin: converged after 7 iterations. iteration 32: trace = 1.074107966624208 (6.42414e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.074107274939571 (6.43962e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 1.074106574379339 (6.52226e-05% change) linmin: converged after 7 iterations. iteration 35: trace = 1.074105856059128 (6.68761e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.074105113322936 (6.91493e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.074104343007871 (7.17169e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 1.074103545951054 (7.42067e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 1.07410272682279 (7.62616e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 1.074101893138382 (7.76169e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 1.074101053725188 (7.81503e-05% change) linmin: converged after 7 iterations. iteration 42: trace = 1.074100217337326 (7.78687e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 1.074099391966481 (7.6843e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 1.074098584810139 (7.51473e-05% change) linmin: converged after 6 iterations. iteration 45: trace = 1.074097802433133 (7.28404e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 1.074097050705479 (6.99869e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 1.074096334430325 (6.66863e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 1.07409565686185 (6.30827e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 1.074095019383428 (5.93503e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 1.07409442149858 (5.56641e-05% change) linmin: converged after 7 iterations. iteration 51: trace = 1.074093861118876 (5.21723e-05% change) linmin: converged after 8 iterations. iteration 52: trace = 1.074093335024875 (4.89803e-05% change) linmin: converged after 9 iterations. iteration 53: trace = 1.07409283939711 (4.61438e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 1.074092370113571 (4.36912e-05% change) linmin: converged after 9 iterations. iteration 55: trace = 1.074091923256406 (4.16032e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 1.074091495242604 (3.98489e-05% change) linmin: converged after 9 iterations. iteration 57: trace = 1.074091082941412 (3.8386e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 1.074090683728918 (3.71675e-05% change) linmin: converged after 5 iterations. iteration 59: trace = 1.074090295505451 (3.61444e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 1.074089916681102 (3.52693e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.074089546094833 (3.45024e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 1.074089182963636 (3.38083e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.074088826791051 (3.31604e-05% change) linmin: converged after 6 iterations. iteration 64: trace = 1.074088477312062 (3.25373e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 1.074088134417222 (3.19243e-05% change) linmin: converged after 6 iterations. iteration 66: trace = 1.07408779808815 (3.1313e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 1.074087468362276 (3.06982e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 1.074087145274952 (3.00802e-05% change) linmin: converged after 5 iterations. iteration 69: trace = 1.074086828846009 (2.94603e-05% change) resetting CG direction... large trace change predicted (0.00552372%) linmin: converged after 5 iterations. iteration 70: trace = 1.074027493717414 (0.00552439% change) linmin: converged after 5 iterations. iteration 71: trace = 1.07398995781575 (0.00349493% change) linmin: converged after 5 iterations. iteration 72: trace = 1.073965807916534 (0.00224864% change) linmin: converged after 8 iterations. iteration 73: trace = 1.073953302254915 (0.00116444% change) linmin: converged after 4 iterations. iteration 74: trace = 1.073950631525306 (0.000248682% change) linmin: converged after 3 iterations. iteration 75: trace = 1.073949453542193 (0.000109687% change) linmin: converged after 6 iterations. iteration 76: trace = 1.073948843714901 (5.67836e-05% change) linmin: converged after 21 iterations. iteration 77: trace = 1.073948012424094 (7.74051e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 1.073947355572637 (6.11623e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 1.073947066424464 (2.69239e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 1.073946952225013 (1.06336e-05% change) linmin: converged after 2 iterations. iteration 81: trace = 1.073946905475717 (4.35304e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 1.073946876259188 (2.72048e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 1.073946859382544 (1.57146e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 1.073946850788527 (8.00227e-07% change) linmin: converged after 6 iterations. iteration 85: trace = 1.073946846427495 (4.06075e-07% change) linmin: converged after 25 iterations. iteration 86: trace = 1.073946843003072 (3.18863e-07% change) linmin: converged after 4 iterations. iteration 87: trace = 1.073946839409046 (3.34656e-07% change) large trace change predicted (7.27062e-07%) linmin: converged after 3 iterations. iteration 88: trace = 1.073946831600816 (7.27059e-07% change) large trace change predicted (1.48103e-06%) linmin: converged after 4 iterations. iteration 89: trace = 1.073946815695358 (1.48103e-06% change) large trace change predicted (4.37951e-06%) linmin: converged after 5 iterations. iteration 90: trace = 1.073946768662516 (4.37944e-06% change) linmin: converged after 6 iterations. iteration 91: trace = 1.073946679821678 (8.27237e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 1.073946529008632 (1.40429e-05% change) linmin: converged after 5 iterations. iteration 93: trace = 1.07394636530593 (1.52431e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 1.073946255251097 (1.02477e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 1.073946149707093 (9.82768e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 1.073946053608511 (8.94818e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 1.073945952647669 (9.40092e-06% change) linmin: converged after 9 iterations. iteration 98: trace = 1.073945869385615 (7.75291e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 1.073945843503251 (2.41003e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 1.0739458373822 (5.69959e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 1.073945836401789 (9.12906e-08% change) linmin: converged after 6 iterations. iteration 102: trace = 1.073945836058058 (3.20064e-08% change) linmin: converged after 5 iterations. iteration 103: trace = 1.073945835877834 (1.67814e-08% change) linmin: converged after 21 iterations. iteration 104: trace = 1.073945835763812 (1.06171e-08% change) linmin: converged after 7 iterations. iteration 105: trace = 1.073945835716336 (4.42069e-09% change) linmin: converged after 10 iterations. iteration 106: trace = 1.073945835701665 (1.36606e-09% change) linmin: converged after 3 iterations. iteration 107: trace = 1.073945835696708 (4.61624e-10% change) linmin: converged after 4 iterations. iteration 108: trace = 1.073945835694309 (2.23296e-10% change) linmin: converged after 13 iterations. iteration 109: trace = 1.073945835692663 (1.5333e-10% change) linmin: converged after 3 iterations. iteration 110: trace = 1.073945835691533 (1.05239e-10% change) linmin: converged after 3 iterations. iteration 111: trace = 1.073945835690725 (7.52385e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 elapsed time for k point: 0.7816362380981445 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.093863489470061 (5.33662% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078476777688544 (1.4166% change) linmin: converged after 4 iterations. iteration 3: trace = 1.076328697155982 (0.199376% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075208255595951 (0.104153% change) linmin: converged after 4 iterations. iteration 5: trace = 1.07503517157428 (0.016099% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074955695782235 (0.00739313% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074896058833362 (0.00554801% change) linmin: converged after 5 iterations. iteration 8: trace = 1.074864563428873 (0.00293013% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074852338404324 (0.00113736% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074850012942938 (0.000216352% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074849426029419 (5.46042e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074849271410158 (1.43852e-05% change) linmin: converged after 9 iterations. iteration 13: trace = 1.074849229292721 (3.91845e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.074849215166149 (1.31428e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.074849211829465 (3.10433e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 1.074849210719722 (1.03246e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074849209946279 (7.19582e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074849209005695 (8.75085e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 1.074849207760994 (1.15802e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074849206703752 (9.83619e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074849205562663 (1.06163e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074849203559148 (1.864e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.074849200235667 (3.09204e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074849195274801 (4.61541e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074849189777705 (5.11429e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074849181222386 (7.95955e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.074849167022692 (1.32109e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.074849153566981 (1.25187e-06% change) linmin: converged after 16 iterations. iteration 29: trace = 1.074849145742549 (7.27956e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 1.074849142292259 (3.21002e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 1.074849140247105 (1.90274e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.07484913871434 (1.42603e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.074849137906281 (7.51787e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.074849137608582 (2.76969e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.074849137533784 (6.9589e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 1.074849137516846 (1.57591e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.074849137512896 (3.67489e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 1.074849137511864 (9.60194e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.2704610824584961 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.078756946581757 (0.894499% change) linmin: converged after 5 iterations. iteration 2: trace = 1.075235337821099 (0.326984% change) linmin: converged after 5 iterations. iteration 3: trace = 1.073638839416679 (0.148589% change) linmin: converged after 4 iterations. iteration 4: trace = 1.073077825185615 (0.0522672% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072780827427175 (0.027681% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072586993276598 (0.01807% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072447691945423 (0.0129883% change) linmin: converged after 4 iterations. iteration 8: trace = 1.07239326667108 (0.00507499% change) linmin: converged after 4 iterations. iteration 9: trace = 1.07236325167962 (0.00279892% change) linmin: converged after 4 iterations. iteration 10: trace = 1.072354631902956 (0.000803814% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072350311724843 (0.000402869% change) linmin: converged after 5 iterations. iteration 12: trace = 1.072348215271241 (0.000195501% change) linmin: converged after 4 iterations. iteration 13: trace = 1.072347360434731 (7.97163e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.072346902122047 (4.27392e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.072346623483659 (2.5984e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.072346159275199 (4.3289e-05% change) large trace change predicted (0.000101681%) linmin: converged after 5 iterations. iteration 17: trace = 1.072345068890038 (0.000101682% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072342995658238 (0.000193336% change) linmin: converged after 6 iterations. iteration 19: trace = 1.072339903829155 (0.000288325% change) linmin: converged after 5 iterations. iteration 20: trace = 1.072336586509769 (0.000309354% change) linmin: converged after 7 iterations. iteration 21: trace = 1.072331067849422 (0.00051464% change) linmin: converged after 5 iterations. iteration 22: trace = 1.07232082224701 (0.000955456% change) linmin: converged after 5 iterations. iteration 23: trace = 1.072308842030553 (0.00111723% change) linmin: converged after 4 iterations. iteration 24: trace = 1.072300271286768 (0.000799283% change) linmin: converged after 4 iterations. iteration 25: trace = 1.072297170565835 (0.000289166% change) linmin: converged after 3 iterations. iteration 26: trace = 1.072296311606893 (8.01046e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.072296078653345 (2.17247e-05% change) linmin: converged after 3 iterations. iteration 28: trace = 1.072296014168777 (6.01369e-06% change) linmin: converged after 24 iterations. iteration 29: trace = 1.072295982383621 (2.96421e-06% change) linmin: converged after 15 iterations. iteration 30: trace = 1.072295961925376 (1.90789e-06% change) linmin: converged after 7 iterations. iteration 31: trace = 1.072295950654601 (1.05109e-06% change) linmin: converged after 3 iterations. iteration 32: trace = 1.072295945180989 (5.10457e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 1.072295942506052 (2.49459e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.072295940839705 (1.554e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.072295940001716 (7.8149e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.072295939666597 (3.12525e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.072295939534582 (1.23115e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.072295939489791 (4.17712e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.072295939475879 (1.29736e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.072295939471375 (4.2005e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.072295939468839 (2.36479e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.072295939464564 (3.987e-10% change) large trace change predicted (1.11332e-09%) linmin: converged after 2 iterations. iteration 43: trace = 1.072295939452623 (1.1136e-09% change) large trace change predicted (2.51363e-09%) linmin: converged after 2 iterations. iteration 44: trace = 1.072295939425672 (2.5134e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 1.072295939386053 (3.69472e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 1.072295939340153 (4.28055e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 1.072295939279222 (5.68236e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 1.072295939194636 (7.88826e-09% change) linmin: converged after 14 iterations. iteration 49: trace = 1.072295939101619 (8.67454e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 1.072295939034332 (6.27509e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.072295939004893 (2.74541e-09% change) linmin: converged after 3 iterations. iteration 52: trace = 1.072295938995445 (8.81141e-10% change) linmin: converged after 9 iterations. iteration 53: trace = 1.072295938992633 (2.62197e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 1.072295938991753 (8.20841e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 elapsed time for k point: 0.3813471794128418 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.073401218506954 (0.802321% change) linmin: converged after 5 iterations. iteration 2: trace = 1.070911358186742 (0.232229% change) linmin: converged after 4 iterations. iteration 3: trace = 1.069941901356453 (0.0905673% change) linmin: converged after 4 iterations. iteration 4: trace = 1.069553512469482 (0.0363066% change) linmin: converged after 4 iterations. iteration 5: trace = 1.069331087282139 (0.0207982% change) linmin: converged after 4 iterations. iteration 6: trace = 1.069162619782136 (0.0157557% change) linmin: converged after 4 iterations. iteration 7: trace = 1.06905313998237 (0.0102403% change) linmin: converged after 4 iterations. iteration 8: trace = 1.069016273147659 (0.00344861% change) linmin: converged after 4 iterations. iteration 9: trace = 1.068993109651654 (0.00216683% change) linmin: converged after 4 iterations. iteration 10: trace = 1.068984047122717 (0.000847767% change) linmin: converged after 4 iterations. iteration 11: trace = 1.06897880030921 (0.000490824% change) linmin: converged after 4 iterations. iteration 12: trace = 1.068976671400316 (0.000199154% change) linmin: converged after 4 iterations. iteration 13: trace = 1.068976061675412 (5.70382e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.068975835503111 (2.11578e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.068975752616184 (7.75386e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.068975691300615 (5.73592e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.068975611585199 (7.45718e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 1.068975504394132 (1.00275e-05% change) linmin: converged after 13 iterations. iteration 19: trace = 1.068975371946158 (1.23902e-05% change) linmin: converged after 15 iterations. iteration 20: trace = 1.068975238400153 (1.24929e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.06897500900797 (2.14591e-05% change) large trace change predicted (5.31033e-05%) linmin: converged after 4 iterations. iteration 22: trace = 1.06897444137869 (5.31003e-05% change) large trace change predicted (0.000113315%) linmin: converged after 3 iterations. iteration 23: trace = 1.068973230351379 (0.000113289% change) linmin: converged after 6 iterations. iteration 24: trace = 1.06897161225228 (0.00015137% change) linmin: converged after 6 iterations. iteration 25: trace = 1.068970673722614 (8.77975e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.068970296062492 (3.53293e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.068970144206493 (1.42058e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 1.068970064617742 (7.44537e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 1.068970000607836 (5.988e-06% change) linmin: converged after 16 iterations. iteration 30: trace = 1.068969962460986 (3.56856e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.068969945599901 (1.57732e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.068969938463749 (6.67573e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.068969934705131 (3.51611e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.068969932325581 (2.22602e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.068969931392087 (8.73265e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 1.068969931132231 (2.4309e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.068969931062231 (6.54836e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 1.068969931043933 (1.71176e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.068969931038534 (5.05088e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 1.06896993103669 (1.72489e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.068969931035931 (7.09773e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 elapsed time for k point: 0.29221630096435547 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.07210087104172 (0.745891% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069747625154363 (0.21974% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068703623581534 (0.0976409% change) linmin: converged after 4 iterations. iteration 4: trace = 1.06787537155338 (0.0775307% change) linmin: converged after 4 iterations. iteration 5: trace = 1.067259421669873 (0.0576966% change) linmin: converged after 5 iterations. iteration 6: trace = 1.066744514113844 (0.0482574% change) linmin: converged after 4 iterations. iteration 7: trace = 1.066542840030842 (0.0189074% change) linmin: converged after 4 iterations. iteration 8: trace = 1.066494016835053 (0.00457781% change) linmin: converged after 4 iterations. iteration 9: trace = 1.066464593745213 (0.0027589% change) linmin: converged after 4 iterations. iteration 10: trace = 1.066451587651854 (0.00121956% change) linmin: converged after 4 iterations. iteration 11: trace = 1.066443672010177 (0.000742244% change) linmin: converged after 4 iterations. iteration 12: trace = 1.066440721230631 (0.000276694% change) linmin: converged after 4 iterations. iteration 13: trace = 1.066439849497521 (8.17423e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.066439375236251 (4.44715e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.066439009933316 (3.42545e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.066438547210227 (4.33896e-05% change) linmin: converged after 14 iterations. iteration 17: trace = 1.066438083387294 (4.34927e-05% change) linmin: converged after 15 iterations. iteration 18: trace = 1.066437660409854 (3.96626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.066437091992715 (5.33006e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 1.066436003254613 (0.000102091% change) large trace change predicted (0.000276028%) linmin: converged after 5 iterations. iteration 21: trace = 1.06643306101055 (0.000275895% change) linmin: converged after 3 iterations. iteration 22: trace = 1.066427934770839 (0.000480691% change) linmin: converged after 5 iterations. iteration 23: trace = 1.06642432669396 (0.000338334% change) linmin: converged after 13 iterations. iteration 24: trace = 1.066422960619856 (0.000128099% change) linmin: converged after 4 iterations. iteration 25: trace = 1.066422499826517 (4.32093e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.066422186812465 (2.93518e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.06642189052926 (2.77829e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 1.066421685763602 (1.92012e-05% change) linmin: converged after 15 iterations. iteration 29: trace = 1.066421590549711 (8.92835e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.066421557709065 (3.07952e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.066421543618788 (1.32127e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.066421537040994 (6.1681e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.06642153395643 (2.89244e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.066421532545999 (1.32258e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.066421532098645 (4.19491e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.066421531981016 (1.10303e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.066421531947826 (3.11233e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 1.066421531934552 (1.24475e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.066421531923714 (1.01625e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 1.066421531913866 (9.23432e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.066421531908594 (4.94427e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.066421531906733 (1.74505e-10% change) linmin: converged after 6 iterations. iteration 43: trace = 1.06642153190616 (5.37402e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 elapsed time for k point: 0.30532312393188477 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.069785773582439 (0.695776% change) linmin: converged after 4 iterations. iteration 2: trace = 1.067527570063895 (0.211312% change) linmin: converged after 4 iterations. iteration 3: trace = 1.066558947063649 (0.0907764% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065685964046792 (0.0818839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065178396934747 (0.0476396% change) linmin: converged after 4 iterations. iteration 6: trace = 1.064838989620205 (0.031869% change) linmin: converged after 4 iterations. iteration 7: trace = 1.064736335048867 (0.00964085% change) linmin: converged after 4 iterations. iteration 8: trace = 1.064718062404295 (0.00171618% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064709443693912 (0.000809486% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064705784333718 (0.000343696% change) linmin: converged after 6 iterations. iteration 11: trace = 1.064703064045394 (0.000255497% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064701652732799 (0.000132555% change) linmin: converged after 4 iterations. iteration 13: trace = 1.06470118218853 (4.4195e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.064700943603852 (2.24086e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.064700802693302 (1.32348e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.064700694078543 (1.02014e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064700636606554 (5.39795e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.064700617115639 (1.83065e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.064700610391738 (6.3153e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064700607863227 (2.37486e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064700605633887 (2.09387e-07% change) large trace change predicted (4.79923e-07%) linmin: converged after 2 iterations. iteration 22: trace = 1.064700600524144 (4.79923e-07% change) large trace change predicted (1.42414e-06%) linmin: converged after 12 iterations. iteration 23: trace = 1.064700585361344 (1.42414e-06% change) large trace change predicted (2.9795e-06%) linmin: converged after 3 iterations. iteration 24: trace = 1.064700553639115 (2.97945e-06% change) linmin: converged after 20 iterations. iteration 25: trace = 1.06470052678614 (2.52212e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064700508730731 (1.69582e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.064700490073184 (1.75238e-06% change) linmin: converged after 24 iterations. iteration 28: trace = 1.064700466708129 (2.19452e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 1.064700446691999 (1.87998e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.064700438159564 (8.01393e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.064700434712853 (3.23726e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.064700432935417 (1.66942e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.064700431874728 (9.96233e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 1.064700431313315 (5.27297e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.064700431122884 (1.78859e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.064700431069199 (5.04225e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 1.064700431049591 (1.84159e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 1.064700431037441 (1.14119e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 1.064700431026596 (1.01859e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 1.064700431020414 (5.80648e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 1.064700431018627 (1.67863e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.064700431018219 (3.82692e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 elapsed time for k point: 0.2992849349975586 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.07102135025323 (0.625217% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069008626705355 (0.188102% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068158244968759 (0.0795803% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067197593263683 (0.0899758% change) linmin: converged after 4 iterations. iteration 5: trace = 1.066544127991008 (0.0612506% change) linmin: converged after 5 iterations. iteration 6: trace = 1.065958659747478 (0.054909% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065750318740433 (0.0195469% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065675510628551 (0.00701954% change) linmin: converged after 4 iterations. iteration 9: trace = 1.065611170312027 (0.0060377% change) linmin: converged after 4 iterations. iteration 10: trace = 1.065570512593531 (0.00381551% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065544557362741 (0.00243584% change) linmin: converged after 4 iterations. iteration 12: trace = 1.065536856806759 (0.00072269% change) linmin: converged after 4 iterations. iteration 13: trace = 1.065534821684941 (0.000190995% change) linmin: converged after 4 iterations. iteration 14: trace = 1.06553386588685 (8.97013e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.065533310006943 (5.21692e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 1.065532898639761 (3.86067e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.065532683273434 (2.02121e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 1.065532562793897 (1.1307e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 1.06553241194823 (1.41568e-05% change) large trace change predicted (2.83328e-05%) linmin: converged after 5 iterations. iteration 20: trace = 1.065532110048137 (2.83333e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.065531537829716 (5.37026e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.065530957301291 (5.44825e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.065530503251296 (4.26126e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.065529848637876 (6.14355e-05% change) large trace change predicted (0.000173392%) linmin: converged after 7 iterations. iteration 25: trace = 1.065528002339836 (0.000173275% change) large trace change predicted (0.000909711%) linmin: converged after 4 iterations. iteration 26: trace = 1.065518574727253 (0.000884787% change) large trace change predicted (0.00393925%) linmin: converged after 8 iterations. iteration 27: trace = 1.065486645930534 (0.00299659% change) linmin: converged after 7 iterations. iteration 28: trace = 1.065452554312377 (0.00319968% change) linmin: converged after 15 iterations. iteration 29: trace = 1.065430694062877 (0.00205175% change) linmin: converged after 4 iterations. iteration 30: trace = 1.065419520873003 (0.00104871% change) linmin: converged after 4 iterations. iteration 31: trace = 1.065412511941131 (0.000657859% change) linmin: converged after 4 iterations. iteration 32: trace = 1.065407624927191 (0.000458698% change) linmin: converged after 4 iterations. iteration 33: trace = 1.065405106256101 (0.000236405% change) linmin: converged after 4 iterations. iteration 34: trace = 1.065404017239764 (0.000102216% change) linmin: converged after 7 iterations. iteration 35: trace = 1.065403611191079 (3.81122e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 1.065403441828039 (1.58966e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 1.065403323931502 (1.10659e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 1.065403209114892 (1.07768e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.065403107364856 (9.55038e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 1.065403054387149 (4.97255e-06% change) linmin: converged after 3 iterations. iteration 41: trace = 1.065403036014426 (1.72449e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.065403029074995 (6.51343e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 1.065403024643697 (4.15927e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 1.065403021191505 (3.24027e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.065403018975985 (2.07951e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 1.065403018005738 (9.10685e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 1.065403017543515 (4.33848e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.065403017076432 (4.3841e-08% change) large trace change predicted (8.98844e-08%) linmin: converged after 2 iterations. iteration 49: trace = 1.065403016118797 (8.98848e-08% change) large trace change predicted (2.34693e-07%) linmin: converged after 2 iterations. iteration 50: trace = 1.065403013618366 (2.34693e-07% change) large trace change predicted (5.60917e-07%) linmin: converged after 3 iterations. iteration 51: trace = 1.065403007642306 (5.6092e-07% change) linmin: converged after 17 iterations. iteration 52: trace = 1.065402998322922 (8.74729e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 1.065402986266862 (1.1316e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 1.065402969178449 (1.60394e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 1.065402943674205 (2.39386e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 1.065402909801809 (3.1793e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 1.0654028805448 (2.7461e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 1.065402867306225 (1.24259e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 1.065402862588771 (4.42786e-07% change) linmin: converged after 3 iterations. iteration 60: trace = 1.065402860542757 (1.92041e-07% change) linmin: converged after 2 iterations. iteration 61: trace = 1.065402859235994 (1.22654e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 1.065402858140702 (1.02805e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 1.065402857385879 (7.08485e-08% change) linmin: converged after 2 iterations. iteration 64: trace = 1.065402857037139 (3.27332e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 1.065402856879915 (1.47573e-08% change) linmin: converged after 12 iterations. iteration 66: trace = 1.065402856783426 (9.05656e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 1.06540285669882 (7.94121e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.065402856628581 (6.59277e-09% change) linmin: converged after 5 iterations. iteration 69: trace = 1.065402856591345 (3.49495e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.065402856578412 (1.21395e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 1.065402856572634 (5.42293e-10% change) linmin: converged after 3 iterations. iteration 72: trace = 1.065402856570871 (1.65481e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 1.065402856570094 (7.29448e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 elapsed time for k point: 0.5157966613769531 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065652986634801 (0.504169% change) linmin: converged after 5 iterations. iteration 2: trace = 1.063445114738671 (0.2074% change) linmin: converged after 4 iterations. iteration 3: trace = 1.062314064658214 (0.106414% change) linmin: converged after 5 iterations. iteration 4: trace = 1.060800078337779 (0.142619% change) linmin: converged after 5 iterations. iteration 5: trace = 1.059864885140574 (0.0881981% change) linmin: converged after 5 iterations. iteration 6: trace = 1.058934077527141 (0.0878618% change) linmin: converged after 4 iterations. iteration 7: trace = 1.058590167425031 (0.0324823% change) linmin: converged after 4 iterations. iteration 8: trace = 1.058340293631423 (0.0236072% change) linmin: converged after 5 iterations. iteration 9: trace = 1.058044369944337 (0.027965% change) linmin: converged after 4 iterations. iteration 10: trace = 1.057844196498605 (0.018921% change) linmin: converged after 4 iterations. iteration 11: trace = 1.057733299053829 (0.0104839% change) linmin: converged after 4 iterations. iteration 12: trace = 1.05768688610645 (0.00438806% change) linmin: converged after 4 iterations. iteration 13: trace = 1.057643718296448 (0.00408142% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057601094515691 (0.00403015% change) linmin: converged after 4 iterations. iteration 15: trace = 1.057574169318424 (0.00254591% change) linmin: converged after 4 iterations. iteration 16: trace = 1.057560843562136 (0.00126004% change) linmin: converged after 4 iterations. iteration 17: trace = 1.057554897779985 (0.000562218% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057550493140094 (0.000416494% change) linmin: converged after 5 iterations. iteration 19: trace = 1.0575476220046 (0.00027149% change) linmin: converged after 5 iterations. iteration 20: trace = 1.057546213280055 (0.000133207% change) linmin: converged after 5 iterations. iteration 21: trace = 1.057545647266149 (5.35214e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 1.057545445060972 (1.91202e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 1.05754534645965 (9.3236e-06% change) linmin: converged after 16 iterations. iteration 24: trace = 1.057545294682108 (4.89601e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057545271741688 (2.16921e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057545262910941 (8.35023e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057545260634137 (2.15291e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057545259834002 (7.56597e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.057545259398525 (4.11781e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 1.05754525910819 (2.74536e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.057545258933646 (1.65047e-08% change) linmin: converged after 4 iterations. iteration 32: trace = 1.057545258873737 (5.66485e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.057545258854841 (1.78684e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.057545258846103 (8.26181e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.057545258839637 (6.11473e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.057545258833266 (6.02382e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.05754525882868 (4.33677e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.0575452588261 (2.43934e-10% change) linmin: converged after 2 iterations. iteration 39: trace = 1.057545258824424 (1.58501e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 1.05754525882298 (1.36559e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.057545258821918 (1.00446e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.057545258821419 (4.71365e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 elapsed time for k point: 0.29875659942626953 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051264386853347 (0.453577% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049735266940344 (0.145561% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049264550979229 (0.0448515% change) linmin: converged after 4 iterations. iteration 4: trace = 1.048963507822213 (0.028695% change) linmin: converged after 4 iterations. iteration 5: trace = 1.048842772219768 (0.0115107% change) linmin: converged after 4 iterations. iteration 6: trace = 1.048772455329971 (0.00670446% change) linmin: converged after 4 iterations. iteration 7: trace = 1.048748914239769 (0.00224466% change) linmin: converged after 4 iterations. iteration 8: trace = 1.048744582091003 (0.000413079% change) linmin: converged after 5 iterations. iteration 9: trace = 1.048741973701245 (0.000248716% change) linmin: converged after 4 iterations. iteration 10: trace = 1.048740250692929 (0.000164293% change) linmin: converged after 5 iterations. iteration 11: trace = 1.048738772995067 (0.000140902% change) linmin: converged after 5 iterations. iteration 12: trace = 1.048738138397404 (6.05106e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.048737951057083 (1.78634e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.048737879547407 (6.81864e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.048737847303642 (3.07453e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.048737823461936 (2.27337e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.048737805857724 (1.67861e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.048737790475252 (1.46676e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 1.048737774176588 (1.55412e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 1.048737760567202 (1.29769e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.04873775188753 (8.2763e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 1.048737748311007 (3.41031e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.048737746988585 (1.26097e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04873774641459 (5.4732e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.048737746162668 (2.40215e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.048737746020623 (1.35444e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 1.048737745965866 (5.22115e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.048737745951454 (1.37423e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 1.048737745947921 (3.36877e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.048737745947218 (6.70535e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 elapsed time for k point: 0.21512913703918457 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043730320367076 (0.402906% change) linmin: converged after 4 iterations. iteration 2: trace = 1.042615065363816 (0.10691% change) linmin: converged after 4 iterations. iteration 3: trace = 1.042310395155777 (0.029226% change) linmin: converged after 4 iterations. iteration 4: trace = 1.042172278533015 (0.0132519% change) linmin: converged after 4 iterations. iteration 5: trace = 1.042115497545387 (0.00544848% change) linmin: converged after 4 iterations. iteration 6: trace = 1.042085473330465 (0.00288112% change) linmin: converged after 4 iterations. iteration 7: trace = 1.042070524368616 (0.00143453% change) linmin: converged after 4 iterations. iteration 8: trace = 1.042066548612395 (0.000381525% change) linmin: converged after 4 iterations. iteration 9: trace = 1.04206288704744 (0.000351376% change) linmin: converged after 5 iterations. iteration 10: trace = 1.042059736967639 (0.000302293% change) linmin: converged after 4 iterations. iteration 11: trace = 1.042056939339058 (0.000268471% change) linmin: converged after 5 iterations. iteration 12: trace = 1.042055775662505 (0.000111671% change) linmin: converged after 5 iterations. iteration 13: trace = 1.042055457699164 (3.05131e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.042055355980333 (9.76136e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.042055322293884 (3.23269e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.04205530254784 (1.89491e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.042055285398356 (1.64574e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.042055265630027 (1.89705e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.042055241138577 (2.3503e-06% change) linmin: converged after 24 iterations. iteration 20: trace = 1.042055220583108 (1.97259e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.042055207018138 (1.30175e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 1.042055201090034 (5.68886e-07% change) linmin: converged after 28 iterations. iteration 23: trace = 1.042055199094496 (1.915e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04205519837725 (6.88299e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.042055198125168 (2.41909e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.042055197991547 (1.28228e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.042055197924895 (6.39625e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.04205519790092 (2.30075e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 1.042055197891545 (8.99638e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.042055197887335 (4.04006e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.042055197884501 (2.71937e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.04205519788275 (1.6808e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 1.042055197882125 (5.9919e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 elapsed time for k point: 0.23578691482543945 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.040583967142476 (0.367529% change) linmin: converged after 4 iterations. iteration 2: trace = 1.039722865444434 (0.082786% change) linmin: converged after 4 iterations. iteration 3: trace = 1.03950165624003 (0.021278% change) linmin: converged after 4 iterations. iteration 4: trace = 1.039430647296617 (0.00683129% change) linmin: converged after 4 iterations. iteration 5: trace = 1.039402550983523 (0.00270308% change) linmin: converged after 5 iterations. iteration 6: trace = 1.039389236782683 (0.00128096% change) linmin: converged after 4 iterations. iteration 7: trace = 1.039377840080219 (0.00109649% change) linmin: converged after 4 iterations. iteration 8: trace = 1.039372508607764 (0.00051295% change) linmin: converged after 4 iterations. iteration 9: trace = 1.039365669584023 (0.000657998% change) linmin: converged after 5 iterations. iteration 10: trace = 1.039358797682128 (0.000661165% change) linmin: converged after 4 iterations. iteration 11: trace = 1.039351522033653 (0.000700016% change) linmin: converged after 5 iterations. iteration 12: trace = 1.039347743030244 (0.000363593% change) linmin: converged after 4 iterations. iteration 13: trace = 1.039346603568429 (0.000109632% change) linmin: converged after 5 iterations. iteration 14: trace = 1.039346252826974 (3.37463e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.039346151663282 (9.7334e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.039346101166326 (4.85853e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.039346056762944 (4.27224e-06% change) linmin: converged after 31 iterations. iteration 18: trace = 1.039346002477097 (5.22308e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.039345931774661 (6.80259e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.039345863606865 (6.55872e-06% change) linmin: converged after 14 iterations. iteration 21: trace = 1.039345797360606 (6.37384e-06% change) linmin: converged after 21 iterations. iteration 22: trace = 1.039345749422763 (4.61231e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 1.039345724079952 (2.43834e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 1.039345709972818 (1.35731e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 1.039345701605029 (8.05102e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.039345695151119 (6.20959e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.039345691963401 (3.06704e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.039345690769051 (1.14914e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.039345690283833 (4.6685e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.039345690103328 (1.73671e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.039345690033778 (6.69177e-09% change) linmin: converged after 2 iterations. iteration 32: trace = 1.039345690011562 (2.13744e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.039345690005514 (5.81888e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 1.039345690002439 (2.95911e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.039345689999085 (3.2268e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 1.039345689993938 (4.95258e-10% change) linmin: converged after 15 iterations. iteration 37: trace = 1.039345689988247 (5.47556e-10% change) linmin: converged after 5 iterations. iteration 38: trace = 1.039345689985424 (2.71578e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.039345689984557 (8.34473e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 elapsed time for k point: 0.2777707576751709 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.042607161720726 (0.34652% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041876242539784 (0.0701295% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041689793083082 (0.0178971% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041641147667703 (0.00466997% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041621655682537 (0.00187129% change) linmin: converged after 5 iterations. iteration 6: trace = 1.041610029145236 (0.0011162% change) large trace change predicted (0.0025014%) linmin: converged after 6 iterations. iteration 7: trace = 1.041583957214329 (0.00250307% change) linmin: converged after 7 iterations. iteration 8: trace = 1.041547309522134 (0.00351852% change) large trace change predicted (0.00868818%) linmin: converged after 4 iterations. iteration 9: trace = 1.041457030683444 (0.00866814% change) linmin: converged after 5 iterations. iteration 10: trace = 1.041334060955939 (0.0118082% change) linmin: converged after 5 iterations. iteration 11: trace = 1.041164698683955 (0.0162653% change) linmin: converged after 4 iterations. iteration 12: trace = 1.041009772944854 (0.0148811% change) linmin: converged after 4 iterations. iteration 13: trace = 1.040930951209935 (0.00757195% change) linmin: converged after 3 iterations. iteration 14: trace = 1.040898073108036 (0.00315858% change) linmin: converged after 3 iterations. iteration 15: trace = 1.040888096987886 (0.000958419% change) linmin: converged after 3 iterations. iteration 16: trace = 1.040884173753795 (0.000376913% change) linmin: converged after 3 iterations. iteration 17: trace = 1.040881857294983 (0.000222547% change) linmin: converged after 4 iterations. iteration 18: trace = 1.040880129419306 (0.000166001% change) linmin: converged after 6 iterations. iteration 19: trace = 1.040878846929652 (0.000123212% change) linmin: converged after 6 iterations. iteration 20: trace = 1.040878282104791 (5.42642e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.040878051081422 (2.2195e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 1.040877952535579 (9.46757e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.040877913823631 (3.71916e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.040877896748253 (1.64048e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.04087788840269 (8.01781e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.040877879210204 (8.83147e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.040877861806173 (1.67205e-06% change) linmin: converged after 17 iterations. iteration 28: trace = 1.040877831116783 (2.94841e-06% change) linmin: converged after 9 iterations. iteration 29: trace = 1.040877780705241 (4.84318e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 1.040877720799236 (5.75534e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.040877666373354 (5.22885e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.040877636834854 (2.83785e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 1.040877628021553 (8.46718e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.040877624968494 (2.93316e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.04087762344881 (1.46e-07% change) linmin: converged after 2 iterations. iteration 36: trace = 1.040877622408118 (9.99822e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.040877621570122 (8.05085e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.040877621105957 (4.45937e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 1.040877620899647 (1.98207e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 1.040877620810261 (8.58759e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 1.04087762076838 (4.0236e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 1.040877620742673 (2.46976e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 1.040877620722479 (1.94012e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 1.040877620697877 (2.36357e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 1.040877620655518 (4.0695e-09% change) large trace change predicted (8.31677e-09%) linmin: converged after 5 iterations. iteration 46: trace = 1.04087762056895 (8.3169e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 1.040877620412684 (1.50129e-08% change) linmin: converged after 6 iterations. iteration 48: trace = 1.040877620260937 (1.45787e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 1.040877620187645 (7.04135e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 1.040877620163346 (2.33449e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.040877620156023 (7.03523e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 1.040877620153321 (2.59616e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 1.040877620151859 (1.40389e-10% change) linmin: converged after 6 iterations. iteration 54: trace = 1.040877620150959 (8.65244e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 Felapsed time for k point: 0.3826732635498047 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905434 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080591 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729864 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254649 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.44355516512198084 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898843 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148895 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926983 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967658014080591) to band 3 (0.44237076681729864), 10.869497799550526% total elapsed time for run: 10.194581985473633 done /tmp/meepREy4kN/test_diamond-0: 10.20s /tmp/meepREy4kN/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) read in 32x32x1 epsilon-input-file "/build/reproducible-path/meep-1.25.0/python/tests/data/eps_input_file_test.h5" Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002175569534301758 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 14 iterations. iteration 1: trace = 15.01049802134615 (194.322% change) linmin: converged after 11 iterations. iteration 2: trace = 6.706692165729402 (76.4722% change) linmin: converged after 7 iterations. iteration 3: trace = 5.931553794724423 (12.2665% change) linmin: converged after 6 iterations. iteration 4: trace = 5.66263534197199 (4.63885% change) linmin: converged after 5 iterations. iteration 5: trace = 5.52737228970616 (2.41757% change) linmin: converged after 7 iterations. iteration 6: trace = 5.47481726468407 (0.955356% change) linmin: converged after 5 iterations. iteration 7: trace = 5.45264771076122 (0.405758% change) linmin: converged after 5 iterations. iteration 8: trace = 5.443329006331453 (0.171049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.437411735012713 (0.108766% change) linmin: converged after 5 iterations. iteration 10: trace = 5.434223793409262 (0.058647% change) linmin: converged after 5 iterations. iteration 11: trace = 5.432629201927889 (0.0293478% change) linmin: converged after 5 iterations. iteration 12: trace = 5.431266964497161 (0.0250782% change) linmin: converged after 4 iterations. iteration 13: trace = 5.430129964014599 (0.0209365% change) linmin: converged after 5 iterations. iteration 14: trace = 5.428352252894501 (0.0327433% change) linmin: converged after 5 iterations. iteration 15: trace = 5.425410096349268 (0.0542145% change) linmin: converged after 5 iterations. iteration 16: trace = 5.421476783206287 (0.0725243% change) linmin: converged after 4 iterations. iteration 17: trace = 5.418133499341883 (0.0616864% change) linmin: converged after 4 iterations. iteration 18: trace = 5.416179004384954 (0.0360797% change) linmin: converged after 4 iterations. iteration 19: trace = 5.415183619213011 (0.0183797% change) linmin: converged after 3 iterations. iteration 20: trace = 5.414790413232867 (0.00726144% change) linmin: converged after 3 iterations. iteration 21: trace = 5.414658533289126 (0.00243558% change) linmin: converged after 4 iterations. iteration 22: trace = 5.414605098261726 (0.000986864% change) linmin: converged after 3 iterations. iteration 23: trace = 5.41457978258746 (0.000467545% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414557159787791 (0.000417814% change) linmin: converged after 4 iterations. iteration 25: trace = 5.414537709366753 (0.000359225% change) linmin: converged after 4 iterations. iteration 26: trace = 5.414526431428378 (0.00020829% change) linmin: converged after 4 iterations. iteration 27: trace = 5.41451605909779 (0.000191565% change) linmin: converged after 4 iterations. iteration 28: trace = 5.414506000595718 (0.000185769% change) linmin: converged after 5 iterations. iteration 29: trace = 5.41449557958566 (0.000192465% change) linmin: converged after 5 iterations. iteration 30: trace = 5.41448635782213 (0.000170316% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414478585160106 (0.000143553% change) linmin: converged after 5 iterations. iteration 32: trace = 5.414473688675684 (9.04332e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414471810062541 (3.46961e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414471116517078 (1.28091e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 5.414470893896504 (4.11158e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 5.414470830684592 (1.16746e-06% change) linmin: converged after 3 iterations. iteration 37: trace = 5.414470802007637 (5.29635e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 5.414470781361689 (3.81311e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 5.414470762077194 (3.56166e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 5.414470741386276 (3.82141e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 5.414470722667651 (3.45715e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 5.414470706127513 (3.0548e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 5.414470693366219 (2.35689e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 5.414470683200175 (1.87757e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 5.414470674912629 (1.53063e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 5.414470669970523 (9.12759e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 5.414470667695273 (4.20217e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 5.414470666815693 (1.6245e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 5.414470666454864 (6.66415e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 5.414470666309406 (2.68647e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 5.414470666257172 (9.64723e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.414470666225634 (5.82466e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 5.414470666199085 (4.90342e-10% change) linmin: converged after 5 iterations. iteration 54: trace = 5.414470666173619 (4.70329e-10% change) linmin: converged after 6 iterations. iteration 55: trace = 5.414470666149859 (4.38818e-10% change) linmin: converged after 3 iterations. iteration 56: trace = 5.414470666128734 (3.90164e-10% change) linmin: converged after 3 iterations. iteration 57: trace = 5.414470666110477 (3.37196e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 5.414470666093905 (3.06062e-10% change) linmin: converged after 2 iterations. iteration 59: trace = 5.41447066608077 (2.42596e-10% change) linmin: converged after 4 iterations. iteration 60: trace = 5.41447066607217 (1.58821e-10% change) linmin: converged after 2 iterations. iteration 61: trace = 5.414470666068269 (7.20619e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 elapsed time for k point: 0.16434597969055176 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.414034200818929 (0.770067% change) linmin: converged after 5 iterations. iteration 2: trace = 5.394129086431263 (0.368335% change) linmin: converged after 4 iterations. iteration 3: trace = 5.387838054235908 (0.116695% change) linmin: converged after 5 iterations. iteration 4: trace = 5.38573302126024 (0.0390777% change) linmin: converged after 4 iterations. iteration 5: trace = 5.385123764190084 (0.0113131% change) linmin: converged after 3 iterations. iteration 6: trace = 5.384850308348899 (0.00507812% change) linmin: converged after 5 iterations. iteration 7: trace = 5.384742385265687 (0.00200422% change) linmin: converged after 4 iterations. iteration 8: trace = 5.384707331033515 (0.000650994% change) linmin: converged after 4 iterations. iteration 9: trace = 5.384697125432801 (0.00018953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.384694738826758 (4.4322e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.384693738418337 (1.85787e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.384693341474321 (7.37171e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.384693264290627 (1.43339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.384693236314638 (5.19547e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.384693227539163 (1.62971e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.38469322265734 (9.06611e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.384693220298983 (4.37974e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.384693219444982 (1.58598e-08% change) linmin: converged after 17 iterations. iteration 19: trace = 5.384693219150675 (5.46562e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.384693219100485 (9.32088e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.384693219085565 (2.77075e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.384693219081496 (7.55613e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 elapsed time for k point: 0.07303595542907715 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.35566270802623 (0.460045% change) linmin: converged after 4 iterations. iteration 2: trace = 5.347222135070107 (0.157725% change) linmin: converged after 3 iterations. iteration 3: trace = 5.345410979037556 (0.0338767% change) linmin: converged after 3 iterations. iteration 4: trace = 5.344984997322681 (0.00796943% change) linmin: converged after 3 iterations. iteration 5: trace = 5.34487907677925 (0.0019817% change) linmin: converged after 9 iterations. iteration 6: trace = 5.344849146440742 (0.000559983% change) linmin: converged after 19 iterations. iteration 7: trace = 5.34483511527354 (0.000262518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.344829856084553 (9.83976e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 5.344828194804125 (3.1082e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.344827781913664 (7.72505e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.344827673972557 (2.01954e-06% change) linmin: converged after 21 iterations. iteration 12: trace = 5.344827628371221 (8.53186e-07% change) linmin: converged after 7 iterations. iteration 13: trace = 5.344827617785631 (1.98053e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.34482761452396 (6.10248e-08% change) linmin: converged after 29 iterations. iteration 15: trace = 5.344827613901648 (1.16433e-08% change) linmin: converged after 21 iterations. iteration 16: trace = 5.344827613761418 (2.62366e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.344827613731027 (5.68602e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.344827613719941 (2.0742e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.344827613715934 (7.49783e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 elapsed time for k point: 0.06364274024963379 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.340457320228623 (0.319238% change) linmin: converged after 4 iterations. iteration 2: trace = 5.334738355255368 (0.107145% change) linmin: converged after 3 iterations. iteration 3: trace = 5.333227635064889 (0.0283226% change) linmin: converged after 3 iterations. iteration 4: trace = 5.332794678919415 (0.00811842% change) linmin: converged after 4 iterations. iteration 5: trace = 5.332637699662876 (0.0029437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.332576391911257 (0.00114968% change) linmin: converged after 4 iterations. iteration 7: trace = 5.332547153504841 (0.000548299% change) linmin: converged after 3 iterations. iteration 8: trace = 5.332540332683702 (0.000127909% change) linmin: converged after 3 iterations. iteration 9: trace = 5.332539070811759 (2.36636e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.33253886203948 (3.91506e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.332538810551382 (9.65546e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 5.33253879005739 (3.8432e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.332538782348803 (1.44558e-07% change) linmin: converged after 10 iterations. iteration 14: trace = 5.332538778533806 (7.15419e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.332538777162949 (2.57074e-08% change) linmin: converged after 6 iterations. iteration 16: trace = 5.332538776747995 (7.78154e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.332538776643066 (1.96772e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.332538776603643 (7.39286e-10% change) linmin: converged after 10 iterations. iteration 19: trace = 5.332538776587452 (3.03636e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.332538776581439 (1.1276e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.332538776580063 (2.57999e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 elapsed time for k point: 0.0697317123413086 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.363396432905374 (0.284485% change) linmin: converged after 4 iterations. iteration 2: trace = 5.356814965977621 (0.122786% change) linmin: converged after 4 iterations. iteration 3: trace = 5.354076997915648 (0.0511249% change) linmin: converged after 4 iterations. iteration 4: trace = 5.352894701732656 (0.0220846% change) linmin: converged after 4 iterations. iteration 5: trace = 5.35244060041008 (0.00848365% change) linmin: converged after 4 iterations. iteration 6: trace = 5.352259473036305 (0.00338407% change) linmin: converged after 3 iterations. iteration 7: trace = 5.352189105551878 (0.00131473% change) linmin: converged after 4 iterations. iteration 8: trace = 5.352168902977461 (0.000377464% change) linmin: converged after 4 iterations. iteration 9: trace = 5.352160538189612 (0.000156288% change) linmin: converged after 4 iterations. iteration 10: trace = 5.352156103699549 (8.28542e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.352153672779482 (4.54195e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.352152330741616 (2.50747e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.352151885750048 (8.31425e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.352151731938056 (2.87383e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.352151681468188 (9.42983e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.35215166667883 (2.76325e-07% change) linmin: converged after 7 iterations. iteration 17: trace = 5.352151661664977 (9.36792e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.352151659840975 (3.40798e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.352151659337842 (9.40057e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.352151659154266 (3.42994e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.352151659081804 (1.35389e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.352151659049174 (6.09659e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.352151659038404 (2.01245e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.352151659035269 (5.8563e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 elapsed time for k point: 0.07938575744628906 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.408014214229959 (0.323637% change) linmin: converged after 5 iterations. iteration 2: trace = 5.395953624985706 (0.223262% change) linmin: converged after 5 iterations. iteration 3: trace = 5.388192869996253 (0.143929% change) linmin: converged after 5 iterations. iteration 4: trace = 5.383948420765395 (0.0788042% change) linmin: converged after 4 iterations. iteration 5: trace = 5.382101128031257 (0.034317% change) linmin: converged after 4 iterations. iteration 6: trace = 5.380826833882425 (0.0236793% change) linmin: converged after 4 iterations. iteration 7: trace = 5.379816112031413 (0.0187855% change) linmin: converged after 5 iterations. iteration 8: trace = 5.37889937435071 (0.0170418% change) linmin: converged after 4 iterations. iteration 9: trace = 5.378431618794505 (0.0086965% change) linmin: converged after 4 iterations. iteration 10: trace = 5.37828958778363 (0.00264079% change) linmin: converged after 4 iterations. iteration 11: trace = 5.378238168343272 (0.00095606% change) linmin: converged after 4 iterations. iteration 12: trace = 5.378217538790497 (0.000383575% change) linmin: converged after 4 iterations. iteration 13: trace = 5.378209482090194 (0.000149803% change) linmin: converged after 6 iterations. iteration 14: trace = 5.378206573501588 (5.4081e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 5.378205626014852 (1.76172e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 5.378205300789663 (6.04709e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.378205138261713 (3.02197e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.378205064148518 (1.37803e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 5.378205024912397 (7.29539e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 5.37820500815002 (3.11672e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.378205002382009 (1.07248e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.378204997047543 (9.91867e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.378204992784513 (7.92649e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 5.378204989224101 (6.62008e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 5.378204987266803 (3.63932e-08% change) linmin: converged after 24 iterations. iteration 26: trace = 5.37820498656018 (1.31386e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.378204986365549 (3.61887e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 5.378204986298534 (1.24606e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.378204986252792 (8.50508e-10% change) linmin: converged after 7 iterations. iteration 30: trace = 5.378204986222929 (5.55247e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.378204986206846 (2.99043e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.378204986199396 (1.38523e-10% change) linmin: converged after 11 iterations. iteration 33: trace = 5.378204986194199 (9.66258e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222 elapsed time for k point: 0.10834097862243652 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.330842291784633 (1.63265% change) linmin: converged after 5 iterations. iteration 2: trace = 5.294046123341276 (0.692641% change) linmin: converged after 4 iterations. iteration 3: trace = 5.284981234196242 (0.171375% change) linmin: converged after 4 iterations. iteration 4: trace = 5.282498119419701 (0.0469954% change) linmin: converged after 4 iterations. iteration 5: trace = 5.281616824738639 (0.0166847% change) linmin: converged after 4 iterations. iteration 6: trace = 5.281190026018594 (0.00808116% change) linmin: converged after 4 iterations. iteration 7: trace = 5.281060361590569 (0.00245524% change) linmin: converged after 4 iterations. iteration 8: trace = 5.281017317052751 (0.000815077% change) linmin: converged after 4 iterations. iteration 9: trace = 5.281001279428567 (0.000303685% change) linmin: converged after 3 iterations. iteration 10: trace = 5.280995051890289 (0.000117924% change) linmin: converged after 10 iterations. iteration 11: trace = 5.280992817488505 (4.23103e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.280991955892316 (1.6315e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.280991779814334 (3.33418e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.280991731376507 (9.17211e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.280991719857134 (2.18129e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.280991716887277 (5.62367e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.280991715662335 (2.31953e-08% change) linmin: converged after 23 iterations. iteration 18: trace = 5.280991715170661 (9.31026e-09% change) linmin: converged after 22 iterations. iteration 19: trace = 5.280991714932148 (4.51643e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.280991714863477 (1.30035e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.280991714843207 (3.8383e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 5.280991714835504 (1.45866e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.280991714829537 (1.12986e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.280991714822687 (1.29704e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.28099171481807 (8.74389e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 elapsed time for k point: 0.08271265029907227 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.134764281906492 (0.624371% change) linmin: converged after 5 iterations. iteration 2: trace = 5.124408367543085 (0.201886% change) linmin: converged after 4 iterations. iteration 3: trace = 5.12235773185049 (0.040025% change) linmin: converged after 3 iterations. iteration 4: trace = 5.12174424238861 (0.0119774% change) linmin: converged after 4 iterations. iteration 5: trace = 5.121558726682936 (0.00362219% change) linmin: converged after 4 iterations. iteration 6: trace = 5.121477742069775 (0.00158126% change) linmin: converged after 4 iterations. iteration 7: trace = 5.12144790474088 (0.000582594% change) linmin: converged after 4 iterations. iteration 8: trace = 5.121439718676669 (0.000159839% change) linmin: converged after 4 iterations. iteration 9: trace = 5.121437287250297 (4.74755e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.121436809310323 (9.33215e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.121436715075807 (1.84e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.121436685510688 (5.77282e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.121436680112647 (1.05401e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.121436678590913 (2.9713e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.121436678180303 (8.01748e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.121436678101739 (1.53402e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.121436678082406 (3.77491e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.121436678073879 (1.66504e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.121436678060035 (2.70315e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 5.121436678042874 (3.35072e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.121436678033494 (1.83153e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.121436678029978 (6.86584e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532 elapsed time for k point: 0.07283234596252441 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.994388823457364 (0.316337% change) linmin: converged after 4 iterations. iteration 2: trace = 4.990236163392892 (0.0831811% change) linmin: converged after 4 iterations. iteration 3: trace = 4.989513812263473 (0.0144763% change) linmin: converged after 5 iterations. iteration 4: trace = 4.989343647120124 (0.00341051% change) linmin: converged after 4 iterations. iteration 5: trace = 4.989291241669541 (0.00105035% change) linmin: converged after 4 iterations. iteration 6: trace = 4.989274244813457 (0.000340667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.989267787671144 (0.000129421% change) linmin: converged after 5 iterations. iteration 8: trace = 4.98926609792218 (3.38677e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.989265604082192 (9.89805e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.989265515601321 (1.77342e-06% change) linmin: converged after 22 iterations. iteration 11: trace = 4.989265501206935 (2.88507e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.989265496708835 (9.01555e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.98926549570401 (2.01397e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.989265495448889 (5.1134e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.989265495393171 (1.11674e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.989265495383629 (1.91262e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.989265495381122 (5.02544e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 elapsed time for k point: 0.05691075325012207 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.909138536841025 (0.232394% change) linmin: converged after 4 iterations. iteration 2: trace = 4.906563118930467 (0.0524755% change) linmin: converged after 4 iterations. iteration 3: trace = 4.906119641576844 (0.00903886% change) linmin: converged after 3 iterations. iteration 4: trace = 4.906037816819474 (0.00166782% change) linmin: converged after 3 iterations. iteration 5: trace = 4.906013084888643 (0.000504113% change) linmin: converged after 10 iterations. iteration 6: trace = 4.906007389591607 (0.000116088% change) linmin: converged after 8 iterations. iteration 7: trace = 4.906005834953523 (3.16885e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.90600540669845 (8.7292e-06% change) linmin: converged after 9 iterations. iteration 9: trace = 4.906005254385182 (3.10463e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.906005216417475 (7.73903e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.906005209418547 (1.4266e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.906005206803108 (5.3311e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.906005206252122 (1.12309e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.906005206142122 (2.24213e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.906005206125057 (3.47848e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.906005206120695 (8.89083e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708 elapsed time for k point: 0.05347132682800293 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.880387825183426 (0.204402% change) linmin: converged after 4 iterations. iteration 2: trace = 4.878237626562295 (0.0440677% change) linmin: converged after 4 iterations. iteration 3: trace = 4.877861752868415 (0.00770541% change) linmin: converged after 4 iterations. iteration 4: trace = 4.87779955496193 (0.00127511% change) linmin: converged after 2 iterations. iteration 5: trace = 4.877780932667065 (0.000381777% change) linmin: converged after 4 iterations. iteration 6: trace = 4.877777338735272 (7.36797e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.877776722798983 (1.26274e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.877776610093846 (2.31058e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.877776584075415 (5.33408e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.877776575591743 (1.73925e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.877776573289267 (4.72034e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.877776572070435 (2.49874e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.877776571775751 (6.04136e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 4.877776571718369 (1.17639e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.877776571708921 (1.93704e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.877776571705265 (7.49469e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735 elapsed time for k point: 0.05356621742248535 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.939234288026459 (0.398492% change) linmin: converged after 4 iterations. iteration 2: trace = 4.934705211880217 (0.091738% change) linmin: converged after 4 iterations. iteration 3: trace = 4.933808978362583 (0.0181635% change) linmin: converged after 4 iterations. iteration 4: trace = 4.933618724668674 (0.0038562% change) linmin: converged after 4 iterations. iteration 5: trace = 4.933561794539691 (0.00115393% change) linmin: converged after 6 iterations. iteration 6: trace = 4.933546467636372 (0.000310667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.933542429887031 (8.18428e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.933541498295165 (1.88828e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.933541269558869 (4.63635e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.933541218844876 (1.02794e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.933541212739488 (1.23753e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.933541210751458 (4.02962e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 4.9335412103081 (8.98661e-09% change) linmin: converged after 7 iterations. iteration 14: trace = 4.93354121023129 (1.55689e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.93354121021697 (2.9026e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 4.933541210214663 (4.67714e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665 elapsed time for k point: 0.05356121063232422 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.099507112162946 (0.487571% change) linmin: converged after 5 iterations. iteration 2: trace = 5.090581721310536 (0.175178% change) linmin: converged after 4 iterations. iteration 3: trace = 5.088071827630135 (0.0493168% change) linmin: converged after 4 iterations. iteration 4: trace = 5.087225562912054 (0.0166337% change) linmin: converged after 4 iterations. iteration 5: trace = 5.086961938952485 (0.00518221% change) linmin: converged after 4 iterations. iteration 6: trace = 5.086853665324287 (0.00212848% change) linmin: converged after 4 iterations. iteration 7: trace = 5.086807094856582 (0.000915511% change) linmin: converged after 3 iterations. iteration 8: trace = 5.086793518222227 (0.000266899% change) linmin: converged after 3 iterations. iteration 9: trace = 5.086790021445181 (6.87423e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.08678920338145 (1.60821e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.086789045520231 (3.10336e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.086788991806464 (1.05595e-06% change) linmin: converged after 21 iterations. iteration 13: trace = 5.086788981872507 (1.95289e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.086788979939779 (3.79951e-08% change) linmin: converged after 12 iterations. iteration 15: trace = 5.086788979425322 (1.01136e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.086788979343622 (1.60614e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.086788979319492 (4.74349e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.086788979306892 (2.47712e-10% change) linmin: converged after 8 iterations. iteration 19: trace = 5.086788979301441 (1.07155e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.086788979299679 (3.46416e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247 elapsed time for k point: 0.06652235984802246 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.309330906730185 (0.847184% change) linmin: converged after 5 iterations. iteration 2: trace = 5.280371277324416 (0.546939% change) linmin: converged after 4 iterations. iteration 3: trace = 5.269934727134918 (0.197844% change) linmin: converged after 4 iterations. iteration 4: trace = 5.265762219365082 (0.0792071% change) linmin: converged after 4 iterations. iteration 5: trace = 5.264459973518648 (0.0247335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.263804604149918 (0.0124497% change) linmin: converged after 3 iterations. iteration 7: trace = 5.263469633537593 (0.00636386% change) linmin: converged after 3 iterations. iteration 8: trace = 5.26332510873088 (0.00274585% change) linmin: converged after 5 iterations. iteration 9: trace = 5.263272539866877 (0.000998782% change) linmin: converged after 3 iterations. iteration 10: trace = 5.263261122021764 (0.000216935% change) linmin: converged after 3 iterations. iteration 11: trace = 5.263257754583083 (6.39801e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.263256795625345 (1.82199e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.263256607031204 (3.58322e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.263256551248045 (1.05986e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.263256530468793 (3.94798e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.263256521693534 (1.66727e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.263256515340482 (1.20706e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.263256513415704 (3.65701e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 5.263256512765325 (1.2357e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.26325651252615 (4.54425e-09% change) linmin: converged after 22 iterations. iteration 21: trace = 5.26325651238184 (2.74183e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.263256512320006 (1.17483e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 5.263256512296805 (4.40811e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.263256512290631 (1.17299e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.263256512288837 (3.40876e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602 elapsed time for k point: 0.08243656158447266 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.410850204125079 (1.34359% change) linmin: converged after 5 iterations. iteration 2: trace = 5.374437224940516 (0.675234% change) linmin: converged after 4 iterations. iteration 3: trace = 5.366093703686881 (0.155365% change) linmin: converged after 4 iterations. iteration 4: trace = 5.363891157761086 (0.041054% change) linmin: converged after 3 iterations. iteration 5: trace = 5.363304623244995 (0.0109355% change) linmin: converged after 3 iterations. iteration 6: trace = 5.363093120245416 (0.0039436% change) linmin: converged after 3 iterations. iteration 7: trace = 5.363009973967477 (0.00155035% change) linmin: converged after 5 iterations. iteration 8: trace = 5.362962308859946 (0.000888779% change) linmin: converged after 4 iterations. iteration 9: trace = 5.36292814899808 (0.000636961% change) linmin: converged after 4 iterations. iteration 10: trace = 5.362908167195258 (0.000372592% change) linmin: converged after 5 iterations. iteration 11: trace = 5.36289744556306 (0.000199922% change) linmin: converged after 14 iterations. iteration 12: trace = 5.362890832294543 (0.000123315% change) linmin: converged after 8 iterations. iteration 13: trace = 5.362888873060136 (3.65332e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.362888159902967 (1.3298e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.362887935137225 (4.19113e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.362887877004606 (1.08398e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.362887858604021 (3.4311e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 5.362887851988768 (1.23352e-07% change) linmin: converged after 7 iterations. iteration 19: trace = 5.362887849877557 (3.93671e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.362887849213481 (1.23828e-08% change) linmin: converged after 18 iterations. iteration 21: trace = 5.362887849013017 (3.73798e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.362887848952664 (1.12538e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.362887848922157 (5.68857e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.362887848904121 (3.36316e-10% change) linmin: converged after 23 iterations. iteration 25: trace = 5.362887848892485 (2.16973e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.3628878488858 (1.24659e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.362887848881172 (8.62858e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311 elapsed time for k point: 0.08894062042236328 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.461006864438431 (1.06365% change) linmin: converged after 5 iterations. iteration 2: trace = 5.43287145074271 (0.516536% change) linmin: converged after 5 iterations. iteration 3: trace = 5.422688497820124 (0.187608% change) linmin: converged after 5 iterations. iteration 4: trace = 5.417696175353642 (0.092106% change) linmin: converged after 3 iterations. iteration 5: trace = 5.416105680944066 (0.0293617% change) linmin: converged after 4 iterations. iteration 6: trace = 5.415171295312798 (0.0172535% change) linmin: converged after 4 iterations. iteration 7: trace = 5.414783176172479 (0.00716751% change) linmin: converged after 4 iterations. iteration 8: trace = 5.414648244036304 (0.00249195% change) linmin: converged after 4 iterations. iteration 9: trace = 5.414594483994404 (0.000992868% change) linmin: converged after 4 iterations. iteration 10: trace = 5.414576265048869 (0.000336479% change) linmin: converged after 4 iterations. iteration 11: trace = 5.414564861067752 (0.000210617% change) linmin: converged after 5 iterations. iteration 12: trace = 5.414555419969368 (0.000174365% change) linmin: converged after 22 iterations. iteration 13: trace = 5.414537376508164 (0.00033324% change) large trace change predicted (0.000679766%) linmin: converged after 5 iterations. iteration 14: trace = 5.41450055299978 (0.000680088% change) linmin: converged after 6 iterations. iteration 15: trace = 5.414478702493852 (0.000403556% change) linmin: converged after 4 iterations. iteration 16: trace = 5.414472728543198 (0.000110333% change) linmin: converged after 4 iterations. iteration 17: trace = 5.414471330541875 (2.58197e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 5.414470844198777 (8.98228e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 5.414470719354939 (2.30574e-06% change) linmin: converged after 9 iterations. iteration 20: trace = 5.414470681314292 (7.02574e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.414470670480571 (2.00088e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.414470667611987 (5.298e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414470666661462 (1.75553e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414470666362716 (5.51755e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.414470666267754 (1.75386e-09% change) linmin: converged after 5 iterations. iteration 26: trace = 5.414470666221952 (8.45911e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.414470666193717 (5.21476e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.414470666171711 (4.0642e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.414470666155404 (3.01174e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.414470666140545 (2.74435e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.414470666122156 (3.39624e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 5.414470666102801 (3.57471e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414470666086897 (2.93726e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.414470666075439 (2.11625e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 5.414470666069086 (1.17336e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 5.414470666066693 (4.41918e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 F.elapsed time for k point: 0.09747767448425293 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772992 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059654 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814894 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009817 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255618 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6689126424359764 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699239 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8170847453549143 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924542 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8826671164993851 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155063 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8832199143682118 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489807 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0660233597945281 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.087345829555554 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5781812856814894) to band 3 (0.5781815082009817), 3.848610374769843e-05% Gap from band 4 (0.8051999839699239) to band 5 (0.8170847453549143), 1.4651880980149015% Gap from band 7 (1.0580309832489807) to band 8 (1.0660233597945281), 0.7525585747580559% total elapsed time for run: 1.2702584266662598 done /tmp/meepREy4kN/test_epsilon_input_file-0: 1.27s /tmp/meepREy4kN/test_first_brillouin_zone-0 ======================== /tmp/meepREy4kN/test_first_brillouin_zone-0: 0.11s /tmp/meepREy4kN/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 4 x 4 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.1, 0, 0) (0, 0.1, 0) (0, 0, 1) Cell volume = 0.01 Reciprocal lattice vectors (/ 2 pi): (10, -0, 0) (-0, 10, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 9 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00020837783813476562 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... linmin: converged after 9 iterations. iteration 1: trace = 94.48114237152929 (61.751% change) linmin: converged after 7 iterations. iteration 2: trace = 83.8504910917422 (11.9223% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 52.8302%) iteration 3: trace = 83.3461110942816 (0.603338% change) iteration 4: trace = 83.3335997859713 (0.0150124% change) iteration 5: trace = 83.33333949085052 (0.000312354% change) iteration 6: trace = 83.33333352466033 (7.15943e-06% change) iteration 7: trace = 83.33333333657092 (2.25707e-07% change) iteration 8: trace = 83.33333333338274 (3.82581e-09% change) iteration 9: trace = 83.33333333333437 (5.80485e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 elapsed time for k point: 0.000982046127319336 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. iteration 1: trace = 82.33333333334654 (0.722248% change) linmin: converged after 2 iterations. iteration 2: trace = 82.33333333333381 (1.54651e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 elapsed time for k point: 0.0006320476531982422 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82.66666666666671 (5.67288e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 elapsed time for k point: 0.00016117095947265625 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (3.37016e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 elapsed time for k point: 0.0001506805419921875 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 57.7465%) iteration 1: trace = 87.33333333333333 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 elapsed time for k point: 0.00017642974853515625 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.66666666666669 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 elapsed time for k point: 0.00017070770263671875 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 8 iterations. switching to approximate line minimization (decrease time by 62.7907%) iteration 1: trace = 90.66666666676359 (3.571% change) iteration 2: trace = 90.66666762987174 (1.06225e-06% change) iteration 3: trace = 90.66666666666723 (1.06236e-06% change) iteration 4: trace = 90.66666666666674 (5.32907e-13% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 elapsed time for k point: 0.0003237724304199219 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.00000000000001 (7.80816e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 elapsed time for k point: 0.000156402587890625 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 92.66666666666667 (1.53355e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 elapsed time for k point: 0.00015020370483398438 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 46 iterations. iteration 1: trace = 95.66666666666666 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 elapsed time for k point: 0.00037217140197753906 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 57.3529%) iteration 1: trace = 100 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435 elapsed time for k point: 0.00017642974853515625 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 elapsed time for k point: 0.00016570091247558594 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 46 iterations. iteration 1: trace = 85.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 elapsed time for k point: 0.00037860870361328125 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 elapsed time for k point: 0.00015306472778320312 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 40 iterations. iteration 1: trace = 81.33333333333334 (1.74724e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 elapsed time for k point: 0.0003478527069091797 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 33 iterations. iteration 1: trace = 83.33333333333334 (0% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 .elapsed time for k point: 0.0002682209014892578 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.041241452319313 at Vector3<0.5, 0.5, 0.0> Band 2 range: 1.443375672974069 at Vector3<0.5, 0.0, 0.0> to 2.886751345948136 at Vector3<0.0, 0.0, 0.0> Band 3 range: 2.041241452319315 at Vector3<0.5, 0.5, 0.0> to 3.227486121839512 at Vector3<0.5, 0.0, 0.0> Band 4 range: 2.041241452319317 at Vector3<0.5, 0.5, 0.0> to 3.265986323710903 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 2.8867513459481304 at Vector3<0.0, 0.0, 0.0> to 4.564354645876378 at Vector3<0.5, 0.5, 0.0> Band 6 range: 3.2274861218395166 at Vector3<0.5, 0.0, 0.0> to 4.564354645876382 at Vector3<0.5, 0.5, 0.0> Band 7 range: 3.696845502136475 at Vector3<0.2, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665331 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.005366325378417969 done /tmp/meepREy4kN/test_fractional_lattice-0: 0.01s /tmp/meepREy4kN/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013740062713623047 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14104485511779785 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.39132118225097656 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08648061752319336 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.0793600082397461 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09203028678894043 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14412641525268555 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10926938056945801 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09262204170227051 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0800015926361084 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07626056671142578 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07664728164672852 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06087064743041992 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07089519500732422 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09673190116882324 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11305594444274902 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.25553059577941895 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9687755107879639 done Fixing b-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 ./tmp/meepREy4kN/test_get_bfield-0: 1.97s /tmp/meepREy4kN/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013926029205322266 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14209485054016113 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.41240358352661133 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08717846870422363 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08025097846984863 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.0926520824432373 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1441810131072998 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1087954044342041 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.0925905704498291 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07954764366149902 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07593464851379395 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07592082023620605 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06020927429199219 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06990456581115723 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09526467323303223 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11182188987731934 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24912142753601074 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.98044753074646 done Fixing d-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 8.66842 ./tmp/meepREy4kN/test_get_dfield-0: 1.98s /tmp/meepREy4kN/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013813972473144531 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1404869556427002 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3914182186126709 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.0862581729888916 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07938408851623535 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09195184707641602 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14332270622253418 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10846352577209473 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.0921471118927002 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07945013046264648 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.075958251953125 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07578325271606445 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.060088396072387695 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06975007057189941 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09536480903625488 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11152863502502441 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24937200546264648 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9532732963562012 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 ./tmp/meepREy4kN/test_get_efield-0: 1.96s /tmp/meepREy4kN/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013782978057861328 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1405961513519287 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 0.925589 + 0.37853i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 0.921393 + 0.388632i; max ampl. = 1.75894 Fixing h-field (band 6) phase by -0.798747 + 0.601666i; max ampl. = 3.7555 Fixing h-field (band 7) phase by -0.914893 + 0.403697i; max ampl. = 3.75555 Fixing h-field (band 8) phase by -0.0496898 + 0.998765i; max ampl. = 4.48388 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 5.581244026696292 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490351 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957673 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526859 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966758 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299268 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.56798196012209 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607941 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567469488484445 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806203 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766411 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393766 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003681 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969306 (5.15562e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.56740877689189 (2.19272e-06% change) linmin: converged after 14 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.56740870472469 (3.30164e-07% change) linmin: converged after 5 iterations. iteration 20: trace = 5.567408695925265 (1.58052e-07% change) linmin: converged after 18 iterations. iteration 21: trace = 5.567408689562832 (1.1428e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.567408680883109 (1.55902e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 5.567408666017922 (2.67004e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645087862 (3.75939e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 5.567408614757096 (5.44791e-07% change) large trace change predicted (2.01092e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502816416 (2.01064e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934835523604 (0.00850822% change) linmin: converged after 7 iterations. iteration 28: trace = 5.566934530343008 (5.48202e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.566934225147977 (5.48228e-06% change) linmin: converged after 8 iterations. iteration 30: trace = 5.566933920036067 (5.48079e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693361509334 (5.47775e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.56693331039379 (5.47338e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933006000246 (5.46789e-06% change) linmin: converged after 4 iterations. iteration 34: trace = 5.566932701965428 (5.46144e-06% change) linmin: converged after 8 iterations. iteration 35: trace = 5.566932398332735 (5.45422e-06% change) linmin: converged after 8 iterations. iteration 36: trace = 5.566932095137195 (5.44637e-06% change) linmin: converged after 8 iterations. iteration 37: trace = 5.566931792406258 (5.43802e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931490160487 (5.42931e-06% change) linmin: converged after 6 iterations. iteration 39: trace = 5.566931188414395 (5.42033e-06% change) linmin: converged after 7 iterations. iteration 40: trace = 5.566930887176978 (5.41119e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930586452395 (5.40198e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930286240471 (5.39277e-06% change) linmin: converged after 9 iterations. iteration 43: trace = 5.566929986537181 (5.38364e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929687335154 (5.37463e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692938862407 (5.36581e-06% change) linmin: converged after 11 iterations. iteration 46: trace = 5.566929090391031 (5.35723e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.56692879262083 (5.34891e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 5.566928495296353 (5.34091e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928198378974 (5.33359e-06% change) linmin: converged after 24 iterations. iteration 50: trace = 5.566927901887999 (5.32594e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927605763643 (5.31935e-06% change) linmin: converged after 12 iterations. iteration 52: trace = 5.566927310020358 (5.3125e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927014600721 (5.30669e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 5.566926719511573 (5.30075e-06% change) linmin: converged after 9 iterations. iteration 55: trace = 5.566926424712653 (5.29554e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.566926130166101 (5.29101e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 5.566925835871702 (5.28648e-06% change) linmin: converged after 9 iterations. iteration 58: trace = 5.566925541790937 (5.28264e-06% change) linmin: converged after 10 iterations. iteration 59: trace = 5.566925247897712 (5.27927e-06% change) linmin: converged after 6 iterations. iteration 60: trace = 5.566924954156915 (5.27654e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 5.566924660552115 (5.27409e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924367064406 (5.27199e-06% change) linmin: converged after 11 iterations. iteration 63: trace = 5.566924073659454 (5.2705e-06% change) linmin: converged after 12 iterations. iteration 64: trace = 5.566923780311137 (5.26949e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923486988138 (5.26903e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923193675325 (5.26885e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922900337394 (5.2693e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922606953678 (5.27012e-06% change) linmin: converged after 6 iterations. iteration 69: trace = 5.566922313501016 (5.27136e-06% change) resetting CG direction... large trace change predicted (0.0754154%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718699289037 (0.0755391% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516817389784 (0.0575762% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793179139252 (0.0490026% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012045602661 (0.0500618% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007094045905 (0.0361057% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549057842941 (0.0262649% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458397204102 (0.0196515% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474953700598 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115187955224 (0.02451% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236368598172 (0.0338759% change) linmin: converged after 9 iterations. iteration 80: trace = 5.543229142567636 (0.0362039% change) linmin: converged after 10 iterations. iteration 81: trace = 5.541884517727373 (0.02426% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240187846709 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832178757127 (0.00736341% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632129926411 (0.00361051% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551229245906 (0.00146015% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984637142 (0.000600025% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595613592 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181743341 (7.96655e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522107331 (2.99546e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500790404958 (1.32064e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500268932853 (9.412e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499832064119 (7.88501e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499529384537 (5.46304e-06% change) linmin: converged after 8 iterations. iteration 94: trace = 5.540499207175216 (5.81553e-06% change) linmin: converged after 10 iterations. iteration 95: trace = 5.540498785286145 (7.61464e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246106514 (9.73161e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716467954 (9.5594e-06% change) linmin: converged after 11 iterations. iteration 98: trace = 5.540497530058075 (3.3645e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433477556 (1.74317e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 5.540497373258972 (1.08688e-06% change) linmin: converged after 19 iterations. iteration 101: trace = 5.540497321020577 (9.42847e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282526125 (6.94783e-07% change) linmin: converged after 19 iterations. iteration 103: trace = 5.540497260437016 (3.98685e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241875 (1.84011e-07% change) linmin: converged after 7 iterations. iteration 105: trace = 5.540497245841268 (7.94262e-08% change) linmin: converged after 22 iterations. iteration 106: trace = 5.540497244298022 (2.78539e-08% change) linmin: converged after 20 iterations. iteration 107: trace = 5.54049724357753 (1.30041e-08% change) linmin: converged after 17 iterations. iteration 108: trace = 5.540497243251986 (5.87572e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063252 (3.40644e-09% change) linmin: converged after 15 iterations. iteration 110: trace = 5.5404972429578 (1.9033e-09% change) linmin: converged after 9 iterations. iteration 111: trace = 5.540497242914308 (7.84973e-10% change) linmin: converged after 5 iterations. iteration 112: trace = 5.54049724287935 (6.30967e-10% change) linmin: converged after 7 iterations. iteration 113: trace = 5.540497242844003 (6.37972e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790192 (9.71234e-10% change) linmin: converged after 8 iterations. iteration 115: trace = 5.540497242723097 (1.21099e-09% change) linmin: converged after 5 iterations. iteration 116: trace = 5.5404972426584 (1.16771e-09% change) linmin: converged after 21 iterations. iteration 117: trace = 5.540497242618865 (7.13573e-10% change) linmin: converged after 9 iterations. iteration 118: trace = 5.540497242597718 (3.81674e-10% change) linmin: converged after 6 iterations. iteration 119: trace = 5.540497242587055 (1.92464e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 5.540497242581504 (1.00176e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579402 (3.79446e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.39182138442993164 Fixing h-field (band 1) phase by -1 + 2.59125e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113246i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000421577 + -1i; max ampl. = 3.73536 Fixing h-field (band 4) phase by -0.000253674 + -1i; max ampl. = 4.23726 Fixing h-field (band 5) phase by -1 + -7.07656e-05i; max ampl. = 1.49733 Fixing h-field (band 6) phase by 0.000414254 + 1i; max ampl. = 3.68915 Fixing h-field (band 7) phase by 2.53933e-05 + 1i; max ampl. = 2.46425 Fixing h-field (band 8) phase by 0.999999 + -0.00135077i; max ampl. = 4.67306 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081904197 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029238665 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032114 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774016 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600184 (0.00664425% change) linmin: converged after 4 iterations. iteration 6: trace = 5.499421768472725 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071745 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903555 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644882 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354394 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158939 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065395 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510659 (2.44673e-06% change) linmin: converged after 25 iterations. iteration 14: trace = 5.499374968565679 (8.71826e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.49937495268447 (2.88782e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.499374947904288 (8.69223e-08% change) linmin: converged after 7 iterations. iteration 17: trace = 5.499374946845077 (1.92606e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.499374946585432 (4.72137e-09% change) linmin: converged after 15 iterations. iteration 19: trace = 5.499374946459587 (2.28835e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.499374946407666 (9.44128e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.499374946373184 (6.27012e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.499374946343337 (5.42723e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.499374946309959 (6.06953e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288361 (3.92733e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55853e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08574414253234863 Fixing h-field (band 1) phase by 1 + -4.11365e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.201e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10219e-09 + 1i; max ampl. = 2.65638 Fixing h-field (band 4) phase by 2.2004e-08 + -1i; max ampl. = 4.33159 Fixing h-field (band 5) phase by -8.62525e-10 + 1i; max ampl. = 4.52032 Fixing h-field (band 6) phase by -4.01015e-08 + -1i; max ampl. = 3.38228 Fixing h-field (band 7) phase by -1 + -6.37197e-10i; max ampl. = 2.75759 Fixing h-field (band 8) phase by -1 + -3.09712e-06i; max ampl. = 4.29116 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070073415 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187258 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.48705611194667 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972764 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583154 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149402 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235695 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.48546977263449 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450177 (0.000140848% change) linmin: converged after 5 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302667 (1.14345e-05% change) linmin: converged after 26 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.485459100856722 (4.07767e-07% change) linmin: converged after 9 iterations. iteration 15: trace = 5.485459090161544 (1.94973e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.485459083892637 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.25869e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.48545908063929 (1.67216e-08% change) linmin: converged after 22 iterations. iteration 19: trace = 5.485459080258169 (6.94786e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162864 (1.73741e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117765 (8.2214e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.485459080098437 (3.5236e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.485459080091234 (1.31313e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087866 (6.13982e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07934188842773438 Fixing h-field (band 1) phase by 1 + 7.44546e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -1.25145e-13i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.75073e-13i; max ampl. = 2.62315 Fixing h-field (band 4) phase by 8.09049e-10 + 1i; max ampl. = 4.45542 Fixing h-field (band 5) phase by 1.14858e-13 + -1i; max ampl. = 5.0129 Fixing h-field (band 6) phase by -8.93338e-10 + 1i; max ampl. = 2.79024 Fixing h-field (band 7) phase by 1 + -1.81983e-14i; max ampl. = 2.99991 Fixing h-field (band 8) phase by -1 + 1.50887e-08i; max ampl. = 3.46534 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023686845 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601550851 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987764577 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809282725 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433401 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742667397 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728544 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831476 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534786 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715216 (0.000137015% change) linmin: converged after 4 iterations. iteration 11: trace = 5.504370385450914 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323706 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496819 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098138 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759298 (8.49034e-06% change) linmin: converged after 10 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.504362167575552 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222023 (3.57677e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.504362095716725 (1.18184e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490904 (4.04374e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750774 (1.34463e-08% change) linmin: converged after 16 iterations. iteration 23: trace = 5.504362092362593 (7.05224e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 5.504362092126029 (4.29775e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030187 (1.74121e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.504362091995301 (6.33786e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.504362091984241 (2.00924e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09197521209716797 Fixing h-field (band 1) phase by 1 + 9.1952e-18i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -1.24699e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.89889e-15i; max ampl. = 3.69829 Fixing h-field (band 4) phase by 7.09972e-12 + -1i; max ampl. = 4.56151 Fixing h-field (band 5) phase by 1.02753e-14 + -1i; max ampl. = 5.08436 Fixing h-field (band 6) phase by 9.2813e-12 + 1i; max ampl. = 1.72494 Fixing h-field (band 7) phase by -1 + -1.59659e-14i; max ampl. = 3.24171 Fixing h-field (band 8) phase by 3.93792e-11 + -1i; max ampl. = 3.16645 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373816362 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679619856 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373176 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343177978 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180043 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600309 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565389 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740501 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685004 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443202 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714559 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259601 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189773 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693475 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652964 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689267 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647871 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294862 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327792 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295133 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 5.538867707344394 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530767222 (3.18797e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.53886739246091 (2.49701e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282535859 (1.98461e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196565556 (1.55213e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786442 (1.60284e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688868 (2.11411e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904155147 (1.5623e-06% change) linmin: converged after 10 iterations. iteration 30: trace = 5.538866877341245 (4.84104e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 5.538866871036468 (1.13828e-07% change) linmin: converged after 5 iterations. iteration 32: trace = 5.53886686954973 (2.68419e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090199 (8.29648e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868884011 (3.72257e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762681 (2.19051e-09% change) linmin: converged after 9 iterations. iteration 36: trace = 5.53886686869315 (1.25533e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641546 (9.31672e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615201 (4.75641e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605639 (1.72637e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600092 (1.00141e-10% change) linmin: converged after 21 iterations. iteration 41: trace = 5.538866868590822 (1.67361e-10% change) linmin: converged after 5 iterations. iteration 42: trace = 5.538866868573498 (3.1277e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559324 (2.55909e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.538866868553962 (9.68056e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14405083656311035 Fixing h-field (band 1) phase by 1 + -8.3688e-17i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 2.73398e-18i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + 2.92499e-15i; max ampl. = 4.1103 Fixing h-field (band 4) phase by 2.45632e-12 + -1i; max ampl. = 4.60286 Fixing h-field (band 5) phase by -9.60915e-15 + -1i; max ampl. = 4.98821 Fixing h-field (band 6) phase by 1 + -2.31593e-12i; max ampl. = 2.6134 Fixing h-field (band 7) phase by 1 + 1.9262e-14i; max ampl. = 4.2595 Fixing h-field (band 8) phase by 2.44455e-12 + 1i; max ampl. = 3.64602 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033777615 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081945518 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780923792 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922754058 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.42156545108918 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496871733 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757032539 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055600301 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792744 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109974 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680911 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901301 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057772 (5.90214e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.41979814967787 (1.5395e-05% change) linmin: converged after 11 iterations. iteration 15: trace = 5.419797850965186 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322768 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546705 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573499 (1.84014e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.419797735608417 (5.47084e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734088984 (2.80349e-08% change) linmin: converged after 21 iterations. iteration 21: trace = 5.419797733507753 (1.07242e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.419797733261658 (4.54066e-09% change) linmin: converged after 11 iterations. iteration 23: trace = 5.419797733151182 (2.0384e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102891 (8.90997e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 5.419797733077007 (4.77586e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.419797733054168 (4.21409e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031984 (4.09298e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.41979773301672 (2.81638e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797733003427 (2.45274e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 5.419797732989453 (2.57827e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963328 (1.94423e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958387 (9.11646e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10843753814697266 Fixing h-field (band 1) phase by 1 + -2.73517e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + -6.3175e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + 2.50805e-13i; max ampl. = 3.95334 Fixing h-field (band 4) phase by -8.06083e-13 + 1i; max ampl. = 4.50492 Fixing h-field (band 5) phase by -1.53823e-14 + -1i; max ampl. = 4.84663 Fixing h-field (band 6) phase by -2.83277e-16 + -1i; max ampl. = 1.79067 Fixing h-field (band 7) phase by 2.4431e-13 + 1i; max ampl. = 3.04657 Fixing h-field (band 8) phase by 1 + 1.48863e-12i; max ampl. = 4.1605 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098775 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345183182 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588963 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571972 (0.0200646% change) linmin: converged after 4 iterations. iteration 5: trace = 5.241214212212872 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880097 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573597 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.24087174159758 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765969 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 5.240854364699085 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786505 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321847 (1.51625e-06% change) linmin: converged after 10 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.240853950743166 (6.91046e-08% change) linmin: converged after 14 iterations. iteration 16: trace = 5.240853949555026 (2.26707e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 5.240853949179415 (7.16697e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.240853949031692 (2.81869e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.240853948976929 (1.04493e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.07139e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07549e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.240853948833732 (9.49688e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802545 (5.95067e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778208 (4.6437e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757247 (3.99954e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.24085394874231 (2.85018e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735854 (1.23189e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.240853948733923 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09218740463256836 Fixing h-field (band 1) phase by 1 + 5.7372e-16i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + 9.3105e-13i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + 6.29261e-13i; max ampl. = 3.50756 Fixing h-field (band 4) phase by -5.25985e-12 + 1i; max ampl. = 4.25492 Fixing h-field (band 5) phase by -7.83279e-15 + 1i; max ampl. = 4.10702 Fixing h-field (band 6) phase by -5.16826e-15 + 1i; max ampl. = 3.1563 Fixing h-field (band 7) phase by 1.72513e-12 + 1i; max ampl. = 3.26912 Fixing h-field (band 8) phase by -1 + -3.37843e-12i; max ampl. = 4.78292 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984913334 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052906 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866141 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833586 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.09661672198651 (0.00298415% change) linmin: converged after 5 iterations. iteration 6: trace = 5.096573167031523 (0.000854589% change) linmin: converged after 4 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978203 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143689 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659975 (2.58582e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.096544274637563 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71732e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707483 (1.16754e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672398 (6.88404e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.92228e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.096544273547274 (1.46285e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.096544273463897 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.39936e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414496 (2.29358e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.096544273410623 (7.59995e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07899880409240723 Fixing h-field (band 1) phase by -1 + 7.04169e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + -1.57493e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by -1 + -8.3309e-13i; max ampl. = 2.78416 Fixing h-field (band 4) phase by -6.94462e-15 + -1i; max ampl. = 2.53227 Fixing h-field (band 5) phase by -5.94331e-12 + 1i; max ampl. = 3.9265 Fixing h-field (band 6) phase by -7.3887e-15 + -1i; max ampl. = 4.52548 Fixing h-field (band 7) phase by -1.34735e-11 + -1i; max ampl. = 3.4739 Fixing h-field (band 8) phase by -1 + 7.4233e-12i; max ampl. = 4.9086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910328 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962015 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252272 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190485 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301295 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.006443503180207 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863524 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672484 (6.60426e-06% change) linmin: converged after 28 iterations. iteration 11: trace = 5.006436539138805 (1.98811e-06% change) linmin: converged after 12 iterations. iteration 12: trace = 5.006436508297357 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318631 (1.79344e-07% change) linmin: converged after 23 iterations. iteration 14: trace = 5.006436497214725 (4.2024e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812788 (8.02841e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.00643649671343 (1.9846e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.006436496632907 (8.13359e-10% change) large trace change predicted (2.20202e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.006436496522667 (2.20196e-09% change) linmin: converged after 12 iterations. iteration 20: trace = 5.006436496410068 (2.24908e-09% change) linmin: converged after 10 iterations. iteration 21: trace = 5.006436496357244 (1.05513e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.006436496344438 (2.55786e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.08507e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07633042335510254 Fixing h-field (band 1) phase by 1 + -1.79442e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -4.56205e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + 9.55568e-16i; max ampl. = 1.66014 Fixing h-field (band 4) phase by 1 + -4.82846e-11i; max ampl. = 1.64641 Fixing h-field (band 5) phase by -1.58264e-14 + 1i; max ampl. = 3.54599 Fixing h-field (band 6) phase by -1.90024e-11 + -1i; max ampl. = 4.96988 Fixing h-field (band 7) phase by -2.78168e-14 + 1i; max ampl. = 3.72139 Fixing h-field (band 8) phase by 1 + 9.38093e-14i; max ampl. = 4.85167 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.97899375042192 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350138666 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668872994 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931619 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.97599920536234 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.9759871531917 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125811 (4.0958e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.975984462449321 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964288 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211398 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705353 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802621 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.97598426749548 (8.65586e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893696 (5.40348e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819601 (1.48906e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774339 (9.096e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706847 (1.35635e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533269 (3.48832e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426871 (2.13822e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74115e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384496 (1.77476e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381781 (5.45653e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07591390609741211 Fixing h-field (band 1) phase by 1 + -1.87958e-17i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.02546e-13i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.01376e-13 + 1i; max ampl. = 1.85505 Fixing h-field (band 4) phase by 1 + -2.52601e-11i; max ampl. = 1.90199 Fixing h-field (band 5) phase by -1 + -4.64546e-15i; max ampl. = 3.83362 Fixing h-field (band 6) phase by 1.22076e-11 + 1i; max ampl. = 4.82728 Fixing h-field (band 7) phase by -2.07462e-12 + -1i; max ampl. = 5.11981 Fixing h-field (band 8) phase by 1 + 8.40396e-14i; max ampl. = 4.68981 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841112 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352593 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 4 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251282 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323872 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300829 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34381e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128378 (1.55433e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.036378479954632 (3.44983e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909362 (8.98852e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898018 (2.25238e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 5.036378479895266 (5.46517e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.0599207878112793 Fixing h-field (band 1) phase by 1 + -4.27711e-17i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.20874e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -8.38065e-10 + -1i; max ampl. = 1.92561 Fixing h-field (band 4) phase by -5.05322e-16 + -1i; max ampl. = 1.49149 Fixing h-field (band 5) phase by -1.83759e-15 + 1i; max ampl. = 3.30734 Fixing h-field (band 6) phase by -4.16721e-11 + -1i; max ampl. = 5.21642 Fixing h-field (band 7) phase by 5.05322e-16 + 1i; max ampl. = 3.66792 Fixing h-field (band 8) phase by 1 + 7.01609e-10i; max ampl. = 4.83365 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329344 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524669 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119654 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347321 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445593 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487764 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181517 (0.00049% change) linmin: converged after 4 iterations. iteration 9: trace = 5.206571394211565 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670577 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.20656674144837 (2.07473e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 20 iterations. iteration 14: trace = 5.206566313192126 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.206566308082134 (9.81452e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.206566306507289 (3.02473e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040202 (8.97113e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927631 (2.16209e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29761e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.20656630589373 (1.21356e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891688 (3.92353e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06994509696960449 Fixing h-field (band 1) phase by 1 + 1.28137e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + 5.34357e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -5.2077e-10 + 1i; max ampl. = 2.16532 Fixing h-field (band 4) phase by -1.61932e-13 + 1i; max ampl. = 3.56127 Fixing h-field (band 5) phase by -1.67146e-14 + 1i; max ampl. = 2.47045 Fixing h-field (band 6) phase by 5.21701e-09 + 1i; max ampl. = 5.05859 Fixing h-field (band 7) phase by -9.29984e-13 + -1i; max ampl. = 3.23411 Fixing h-field (band 8) phase by 1 + 6.91201e-10i; max ampl. = 4.7734 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756293992 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812739307 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622411479 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356550667 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971023 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855462 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333846 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574961 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.41726912939794 (0.00376953% change) linmin: converged after 5 iterations. iteration 10: trace = 5.417145557811525 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895446 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907003 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.417088991729021 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.417088858207657 (2.46482e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.417088812132402 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744951 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389878 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680259 (1.054e-07% change) linmin: converged after 5 iterations. iteration 21: trace = 5.417088768321157 (4.35492e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370204 (1.75547e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.41708876692841 (8.15556e-09% change) linmin: converged after 10 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 10 iterations. iteration 25: trace = 5.417088766554598 (2.33997e-09% change) linmin: converged after 10 iterations. iteration 26: trace = 5.417088766462989 (1.69112e-09% change) linmin: converged after 11 iterations. iteration 27: trace = 5.417088766423705 (7.25189e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.417088766412562 (2.05686e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409225 (6.16157e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09543418884277344 Fixing h-field (band 1) phase by 1 + 1.45835e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -3.55376e-15i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -7.62302e-11 + 1i; max ampl. = 2.6696 Fixing h-field (band 4) phase by -5.8459e-14 + 1i; max ampl. = 3.93612 Fixing h-field (band 5) phase by 8.36458e-11 + -1i; max ampl. = 4.6489 Fixing h-field (band 6) phase by 8.27688e-15 + -1i; max ampl. = 2.84446 Fixing h-field (band 7) phase by -1 + 4.51329e-15i; max ampl. = 3.74182 Fixing h-field (band 8) phase by -1 + 1.45602e-10i; max ampl. = 4.03853 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178997475 (1.22609% change) linmin: converged after 6 iterations. iteration 2: trace = 5.549498902382941 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640711227 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157937 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091515 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860524 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.52292105521615 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379669 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667835 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.52254069646597 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191286 (0.00170514% change) linmin: converged after 8 iterations. iteration 12: trace = 5.522358366920831 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118334 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461869 (0.000382933% change) linmin: converged after 5 iterations. iteration 15: trace = 5.522271218168351 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619550511 (4.70571e-05% change) linmin: converged after 14 iterations. iteration 17: trace = 5.52226795829274 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758809014 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563947 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644702 (4.33142e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656938316 (1.93877e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032532 (7.07279e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435404 (4.70301e-08% change) linmin: converged after 32 iterations. iteration 24: trace = 5.522267648929526 (2.72692e-08% change) linmin: converged after 24 iterations. iteration 25: trace = 5.522267648122488 (1.46142e-08% change) linmin: converged after 16 iterations. iteration 26: trace = 5.52226764745812 (1.20307e-08% change) linmin: converged after 8 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 16 iterations. iteration 28: trace = 5.5222676462904 (9.63754e-09% change) linmin: converged after 5 iterations. iteration 29: trace = 5.522267645965358 (5.88603e-09% change) linmin: converged after 5 iterations. iteration 30: trace = 5.522267645803391 (2.93299e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 5.522267645716788 (1.56825e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679249 (6.79773e-10% change) linmin: converged after 2 iterations. iteration 33: trace = 5.522267645667601 (2.10936e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664741 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.111663818359375 Fixing h-field (band 1) phase by 1 + -6.59241e-17i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 2.71862e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by 2.63682e-10 + 1i; max ampl. = 3.59476 Fixing h-field (band 4) phase by -6.12323e-17 + -1i; max ampl. = 4.14887 Fixing h-field (band 5) phase by -1 + -2.57093e-10i; max ampl. = 1.36944 Fixing h-field (band 6) phase by -9.0023e-13 + 1i; max ampl. = 3.24838 Fixing h-field (band 7) phase by 3.18418e-12 + -1i; max ampl. = 2.57459 Fixing h-field (band 8) phase by 1 + -1.48388e-15i; max ampl. = 4.85277 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.62341534369291 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799225 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640940337 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172742819 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.57161873626484 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107768875 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898397 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656419794 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950425 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401032 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880778756 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664431215 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.56913350253315 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283174022 (0.00806656% change) near maximum in trace linmin: converged after 11 iterations. iteration 15: trace = 5.566399673351522 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201605374 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388825232 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784843896 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008468074 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637398427 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630801959 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618236061 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244586609 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586694767 (0.0210687% change) linmin: converged after 6 iterations. iteration 25: trace = 5.554798721104044 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114278892 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036027672 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677030462 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583829627 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970112273 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061024367 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957025719 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590488221 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526820524 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677434417 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864325197214 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189085463 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717952991 (0.002837% change) linmin: converged after 4 iterations. iteration 39: trace = 5.550390745016765 (0.00264794% change) linmin: converged after 4 iterations. iteration 40: trace = 5.550253430569195 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903540151 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421846708 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461704793 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756741302 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477347372 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231303523 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437749279 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430732277 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300352011 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831719784 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789454556 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392897125 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424469458 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.54907895413011 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214418771 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603435091 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441469369 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438507597 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472344308 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214321412 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940491089 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719124848 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070105016 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460562136 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157925546 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782844302 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723873994 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403346127 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919688256 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976735944 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222550427 (0.00176188% change) linmin: converged after 6 iterations. iteration 72: trace = 5.54818008109459 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373793321 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.548148375778253 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673477653 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864895084 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.54813883704804 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943205 (7.65593e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 5.548128746383531 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649320854 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114632 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.548119009802893 (3.47742e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253436 (1.34689e-05% change) linmin: converged after 7 iterations. iteration 84: trace = 5.548117907882045 (6.3923e-06% change) linmin: converged after 23 iterations. iteration 85: trace = 5.548117802015849 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686875 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54811772942818 (2.20952e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.548117726415589 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 6 iterations. iteration 90: trace = 5.548117725372829 (3.89394e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334797 (6.8549e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 5.548117725327034 (1.39916e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324982 (3.6996e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24893999099731445 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + -2.32469e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -3.17397e-12 + 1i; max ampl. = 4.27896 Fixing h-field (band 4) phase by -5.91748e-10 + 1i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 1 + 4.76468e-09i; max ampl. = 1.75894 Fixing h-field (band 6) phase by 6.59899e-11 + -1i; max ampl. = 3.7555 Fixing h-field (band 7) phase by 1.31526e-10 + -1i; max ampl. = 3.75555 Fixing h-field (band 8) phase by 1 + -6.90848e-14i; max ampl. = 4.48388 .Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489816 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44158844972254385 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069743 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757014 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677085 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502149 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855883 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660692 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650196 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.086072932359415 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052698 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556935 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677085) to band 5 (0.8241814443502149), 1.7739824912428712% Gap from band 7 (1.086072932359415) to band 8 (1.0878689635052698), 0.16523267243447132% total elapsed time for run: 1.965979814529419 done /tmp/meepREy4kN/test_get_eigenvectors-0: 1.98s /tmp/meepREy4kN/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013766288757324219 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14078998565673828 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3914039134979248 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08646035194396973 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07943320274353027 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09204959869384766 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1428239345550537 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10841679573059082 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09201359748840332 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07966375350952148 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07599449157714844 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07589435577392578 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.060006141662597656 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06959033012390137 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09512782096862793 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1113893985748291 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24898910522460938 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9526050090789795 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 ./tmp/meepREy4kN/test_get_hfield-0: 1.96s /tmp/meepREy4kN/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014469623565673828 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.06577444076538086 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.05990266799926758 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.050351858139038086 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.04737710952758789 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.043961286544799805 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.043866872787475586 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.04075431823730469 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.04064488410949707 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.034295082092285156 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.03455495834350586 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.03105783462524414 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657 Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168 Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881 Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957312 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510743 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525583 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380287 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309859 (1.7049e-10% change) linmin: converged after 3 iterations. iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.0374598503112793 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338974 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011073 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283281438838011 (0.00210466% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 7 iterations. iteration 6: trace = 4.28326657937046 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834247 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102651 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093189 (2.35676e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283266489000646 (2.16059e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.283266488991158 (2.21502e-10% change) linmin: converged after 11 iterations. iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.04068446159362793 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060165 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164763 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 13 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016636 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309537 (3.71634e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65554e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.410102274561973 (5.74616e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546353 (3.54196e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.0439302921295166 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101673 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258617 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323376 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553309 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244495 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738526 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347481 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618732 (7.91744e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781556 (2.7502e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.53451762276076 (4.58611e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.05679011344909668 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082276254 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477331197 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234815 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379737 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189929 (0.00557828% change) linmin: converged after 16 iterations. iteration 6: trace = 4.577915173102078 (0.000900408% change) linmin: converged after 8 iterations. iteration 7: trace = 4.577900193794617 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955983 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564553 (2.15468e-05% change) linmin: converged after 10 iterations. iteration 10: trace = 4.577894647524367 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981888 (3.39512e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.577894627560067 (9.65907e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684431 (1.91275e-08% change) linmin: converged after 7 iterations. iteration 14: trace = 4.577894626586341 (2.1427e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573657 (2.77072e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.04456162452697754 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 0.7205410003662109 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Found complex vector dataset... Input data is rank 2, size 32x32x1. Rotating vectors by matrix [ 0.8660254038, 0.5, -0 0.5, -0.8660254038, -0 -0, -0, 1 ] Output data 96x83x1. real part range: 0 .. 0 imag part range: 0 .. 0 real part range: 0 .. 0 imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 ./tmp/meepREy4kN/test_handle_cvector-0: 0.75s /tmp/meepREy4kN/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.11, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 10 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.16666666666666666, 0.0, 0.0> Vector3<0.3333333333333333, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.16666666666666666, 0.0> Vector3<0.5, 0.3333333333333333, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Vector3<0.16666666666666669, 0.16666666666666669, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016388893127441406 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10 Solving for bands 2 to 10... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 46.67690825536735 (188.044% change) linmin: converged after 7 iterations. iteration 2: trace = 20.87201589192944 (76.4036% change) linmin: converged after 10 iterations. iteration 3: trace = 17.90281367460673 (15.3151% change) linmin: converged after 7 iterations. iteration 4: trace = 16.44745357201135 (8.47365% change) linmin: converged after 7 iterations. iteration 5: trace = 15.57503623871558 (5.44878% change) linmin: converged after 7 iterations. iteration 6: trace = 14.93685931084693 (4.18314% change) linmin: converged after 6 iterations. iteration 7: trace = 14.66427204412151 (1.84174% change) large trace change predicted (3.90566%) linmin: converged after 5 iterations. iteration 8: trace = 14.03803967394925 (4.36364% change) linmin: converged after 5 iterations. iteration 9: trace = 13.72475704319461 (2.25685% change) linmin: converged after 6 iterations. iteration 10: trace = 13.44496718978157 (2.05957% change) linmin: converged after 5 iterations. iteration 11: trace = 13.08709458939926 (2.69766% change) linmin: converged after 6 iterations. iteration 12: trace = 12.85444591732123 (1.79364% change) linmin: converged after 5 iterations. iteration 13: trace = 12.55657797174782 (2.3444% change) linmin: converged after 5 iterations. iteration 14: trace = 12.19678333591758 (2.90704% change) linmin: converged after 5 iterations. iteration 15: trace = 11.81712739283433 (3.16197% change) linmin: converged after 6 iterations. iteration 16: trace = 11.41216612913362 (3.48664% change) linmin: converged after 6 iterations. iteration 17: trace = 10.90973448619632 (4.50169% change) linmin: converged after 8 iterations. iteration 18: trace = 10.44959835156425 (4.30853% change) linmin: converged after 7 iterations. iteration 19: trace = 9.946119693999728 (4.9371% change) linmin: converged after 8 iterations. iteration 20: trace = 9.604108858104249 (3.49879% change) linmin: converged after 7 iterations. iteration 21: trace = 9.066211132700758 (5.76206% change) linmin: converged after 7 iterations. iteration 22: trace = 8.754783680320099 (3.49506% change) linmin: converged after 8 iterations. iteration 23: trace = 8.366907716682842 (4.53081% change) linmin: converged after 7 iterations. iteration 24: trace = 8.082023293497876 (3.46387% change) linmin: converged after 6 iterations. iteration 25: trace = 7.760859506072383 (4.05436% change) linmin: converged after 7 iterations. iteration 26: trace = 7.505495003243805 (3.34545% change) linmin: converged after 6 iterations. iteration 27: trace = 7.127998958156258 (5.15934% change) linmin: converged after 11 iterations. iteration 28: trace = 6.950727436055764 (2.51829% change) linmin: converged after 5 iterations. iteration 29: trace = 6.788207349772075 (2.36583% change) linmin: converged after 5 iterations. iteration 30: trace = 6.663378833341418 (1.85597% change) linmin: converged after 8 iterations. iteration 31: trace = 6.387397375407015 (4.22935% change) linmin: converged after 7 iterations. iteration 32: trace = 6.077630099806203 (4.97018% change) linmin: converged after 9 iterations. iteration 33: trace = 5.845265457472709 (3.89779% change) linmin: converged after 5 iterations. iteration 34: trace = 5.676181876309078 (2.93511% change) linmin: converged after 5 iterations. iteration 35: trace = 5.533824231205664 (2.53983% change) linmin: converged after 10 iterations. iteration 36: trace = 5.376187973974618 (2.88975% change) linmin: converged after 7 iterations. iteration 37: trace = 5.264316137410749 (2.10275% change) linmin: converged after 6 iterations. iteration 38: trace = 5.138003212054784 (2.42855% change) linmin: converged after 7 iterations. iteration 39: trace = 5.056109268376328 (1.60669% change) linmin: converged after 7 iterations. iteration 40: trace = 4.966406354072589 (1.79003% change) linmin: converged after 7 iterations. iteration 41: trace = 4.865793792633924 (2.04659% change) linmin: converged after 8 iterations. iteration 42: trace = 4.755591543596198 (2.29078% change) linmin: converged after 8 iterations. iteration 43: trace = 4.669630998346893 (1.82405% change) linmin: converged after 8 iterations. iteration 44: trace = 4.618919953560653 (1.0919% change) linmin: converged after 4 iterations. iteration 45: trace = 4.558826347512805 (1.30955% change) linmin: converged after 5 iterations. iteration 46: trace = 4.516268796384417 (0.937898% change) linmin: converged after 5 iterations. iteration 47: trace = 4.466855897051691 (1.10013% change) linmin: converged after 7 iterations. iteration 48: trace = 4.402172815963693 (1.45863% change) linmin: converged after 6 iterations. iteration 49: trace = 4.348894165981942 (1.21765% change) linmin: converged after 6 iterations. iteration 50: trace = 4.277264475657445 (1.66076% change) linmin: converged after 7 iterations. iteration 51: trace = 4.218023563650445 (1.39468% change) linmin: converged after 4 iterations. iteration 52: trace = 4.155509345171562 (1.49314% change) linmin: converged after 7 iterations. iteration 53: trace = 4.094398066584754 (1.4815% change) linmin: converged after 7 iterations. iteration 54: trace = 4.000043134875538 (2.33135% change) linmin: converged after 5 iterations. iteration 55: trace = 3.922502571777799 (1.95747% change) linmin: converged after 8 iterations. iteration 56: trace = 3.850088394081112 (1.86332% change) linmin: converged after 7 iterations. iteration 57: trace = 3.791821935313555 (1.52492% change) linmin: converged after 6 iterations. iteration 58: trace = 3.753050708507767 (1.02775% change) linmin: converged after 4 iterations. iteration 59: trace = 3.719648814645396 (0.893971% change) linmin: converged after 6 iterations. iteration 60: trace = 3.691349243816827 (0.763718% change) linmin: converged after 6 iterations. iteration 61: trace = 3.665517698636417 (0.702243% change) linmin: converged after 5 iterations. iteration 62: trace = 3.642774923950771 (0.622383% change) linmin: converged after 6 iterations. iteration 63: trace = 3.621632257764969 (0.582089% change) linmin: converged after 6 iterations. iteration 64: trace = 3.604354313198482 (0.478217% change) linmin: converged after 4 iterations. iteration 65: trace = 3.588974738288043 (0.427607% change) linmin: converged after 4 iterations. iteration 66: trace = 3.575630801714686 (0.372496% change) linmin: converged after 6 iterations. iteration 67: trace = 3.563562104542054 (0.338097% change) linmin: converged after 6 iterations. iteration 68: trace = 3.551359863705462 (0.343004% change) linmin: converged after 6 iterations. iteration 69: trace = 3.539576087021361 (0.332362% change) resetting CG direction... large trace change predicted (2.94865%) linmin: converged after 5 iterations. iteration 70: trace = 3.431405225034667 (3.10346% change) linmin: converged after 4 iterations. iteration 71: trace = 3.364606599918429 (1.96582% change) linmin: converged after 5 iterations. iteration 72: trace = 3.333178753762374 (0.938455% change) linmin: converged after 4 iterations. iteration 73: trace = 3.327511374845806 (0.170174% change) large trace change predicted (0.554837%) linmin: converged after 5 iterations. iteration 74: trace = 3.30839581049568 (0.576125% change) linmin: converged after 4 iterations. iteration 75: trace = 3.303101990445036 (0.16014% change) linmin: converged after 3 iterations. iteration 76: trace = 3.295500168802517 (0.230407% change) linmin: converged after 4 iterations. iteration 77: trace = 3.28807355346897 (0.22561% change) linmin: converged after 4 iterations. iteration 78: trace = 3.281432543666933 (0.202177% change) linmin: converged after 6 iterations. iteration 79: trace = 3.268340966472334 (0.399757% change) linmin: converged after 4 iterations. iteration 80: trace = 3.263337195175677 (0.153215% change) large trace change predicted (0.729751%) linmin: converged after 5 iterations. iteration 81: trace = 3.239916775785054 (0.720268% change) linmin: converged after 6 iterations. iteration 82: trace = 3.220325377463571 (0.606522% change) linmin: converged after 4 iterations. iteration 83: trace = 3.198541316604321 (0.678751% change) linmin: converged after 4 iterations. iteration 84: trace = 3.177521915924397 (0.659322% change) linmin: converged after 5 iterations. iteration 85: trace = 3.158689441282762 (0.59444% change) linmin: converged after 4 iterations. iteration 86: trace = 3.124351619672183 (1.09303% change) linmin: converged after 4 iterations. iteration 87: trace = 3.115938154199683 (0.26965% change) large trace change predicted (0.80553%) linmin: converged after 4 iterations. iteration 88: trace = 3.091192470229429 (0.797331% change) linmin: converged after 5 iterations. iteration 89: trace = 3.081043078189253 (0.328872% change) linmin: converged after 8 iterations. iteration 90: trace = 3.068578063540339 (0.405391% change) linmin: converged after 6 iterations. iteration 91: trace = 3.058935697216242 (0.314724% change) linmin: converged after 5 iterations. iteration 92: trace = 3.05180850737605 (0.233267% change) linmin: converged after 3 iterations. iteration 93: trace = 3.039400873174168 (0.407395% change) linmin: converged after 6 iterations. iteration 94: trace = 3.036435748683464 (0.0976038% change) large trace change predicted (0.289199%) linmin: converged after 7 iterations. iteration 95: trace = 3.027689317351538 (0.288465% change) linmin: converged after 5 iterations. iteration 96: trace = 3.025436115933095 (0.0744475% change) linmin: converged after 5 iterations. iteration 97: trace = 3.022123370988173 (0.109556% change) linmin: converged after 8 iterations. iteration 98: trace = 3.019557672499226 (0.0849333% change) linmin: converged after 5 iterations. iteration 99: trace = 3.017617454341009 (0.0642757% change) large trace change predicted (0.199216%) linmin: converged after 6 iterations. iteration 100: trace = 3.011702812029835 (0.196196% change) linmin: converged after 5 iterations. iteration 101: trace = 3.008822242129416 (0.0956917% change) large trace change predicted (0.494575%) linmin: converged after 7 iterations. iteration 102: trace = 2.993101363818678 (0.523861% change) large trace change predicted (2.76676%) linmin: converged after 11 iterations. iteration 103: trace = 2.971607966586401 (0.720685% change) linmin: converged after 6 iterations. iteration 104: trace = 2.966426041934485 (0.174533% change) linmin: converged after 7 iterations. iteration 105: trace = 2.962576916432998 (0.129841% change) linmin: converged after 4 iterations. iteration 106: trace = 2.959663417317667 (0.0983918% change) linmin: converged after 4 iterations. iteration 107: trace = 2.957613910125768 (0.069272% change) linmin: converged after 4 iterations. iteration 108: trace = 2.956027948354737 (0.0536374% change) linmin: converged after 4 iterations. iteration 109: trace = 2.954446405928148 (0.0535166% change) linmin: converged after 4 iterations. iteration 110: trace = 2.952644656961998 (0.0610029% change) linmin: converged after 7 iterations. iteration 111: trace = 2.950800299587361 (0.0624841% change) linmin: converged after 5 iterations. iteration 112: trace = 2.949162275119235 (0.0555266% change) linmin: converged after 5 iterations. iteration 113: trace = 2.947680347043586 (0.0502617% change) linmin: converged after 5 iterations. iteration 114: trace = 2.946173844337002 (0.0511211% change) linmin: converged after 4 iterations. iteration 115: trace = 2.944665514272482 (0.0512093% change) linmin: converged after 4 iterations. iteration 116: trace = 2.943386753096056 (0.0434358% change) linmin: converged after 8 iterations. iteration 117: trace = 2.942362730441001 (0.0347967% change) linmin: converged after 6 iterations. iteration 118: trace = 2.941372078288963 (0.0336743% change) linmin: converged after 6 iterations. iteration 119: trace = 2.940246560501752 (0.0382724% change) linmin: converged after 6 iterations. iteration 120: trace = 2.939085641698362 (0.0394915% change) linmin: converged after 6 iterations. iteration 121: trace = 2.938048946889208 (0.0352789% change) linmin: converged after 7 iterations. iteration 122: trace = 2.937029634222545 (0.0346995% change) linmin: converged after 4 iterations. iteration 123: trace = 2.93578498323623 (0.0423869% change) linmin: converged after 4 iterations. iteration 124: trace = 2.934266526562438 (0.0517357% change) linmin: converged after 4 iterations. iteration 125: trace = 2.932753457184486 (0.0515788% change) linmin: converged after 6 iterations. iteration 126: trace = 2.931392951500543 (0.0464008% change) linmin: converged after 4 iterations. iteration 127: trace = 2.930045864154609 (0.0459644% change) linmin: converged after 4 iterations. iteration 128: trace = 2.928604937066982 (0.0491897% change) linmin: converged after 4 iterations. iteration 129: trace = 2.927186353523649 (0.0484506% change) linmin: converged after 5 iterations. iteration 130: trace = 2.92592607553319 (0.0430635% change) linmin: converged after 7 iterations. iteration 131: trace = 2.924738046286078 (0.0406118% change) linmin: converged after 5 iterations. iteration 132: trace = 2.923387162526266 (0.0461989% change) linmin: converged after 4 iterations. iteration 133: trace = 2.921694777691809 (0.057908% change) linmin: converged after 4 iterations. iteration 134: trace = 2.919767635225542 (0.0659815% change) linmin: converged after 4 iterations. iteration 135: trace = 2.917896313499875 (0.064112% change) linmin: converged after 4 iterations. iteration 136: trace = 2.91617931683536 (0.058861% change) linmin: converged after 5 iterations. iteration 137: trace = 2.914507630833452 (0.057341% change) linmin: converged after 5 iterations. iteration 138: trace = 2.912775780152054 (0.0594394% change) linmin: converged after 5 iterations. iteration 139: trace = 2.911010765359506 (0.060614% change) resetting CG direction... large trace change predicted (0.793722%) linmin: converged after 4 iterations. iteration 140: trace = 2.888445434845293 (0.778188% change) large trace change predicted (2.41109%) linmin: converged after 6 iterations. iteration 141: trace = 2.824395301475856 (2.24232% change) linmin: converged after 6 iterations. iteration 142: trace = 2.788318376203819 (1.28554% change) linmin: converged after 4 iterations. iteration 143: trace = 2.760124165776621 (1.01629% change) linmin: converged after 4 iterations. iteration 144: trace = 2.747302232502843 (0.465623% change) linmin: converged after 3 iterations. iteration 145: trace = 2.742808570144592 (0.1637% change) linmin: converged after 4 iterations. iteration 146: trace = 2.736559669694309 (0.228088% change) linmin: converged after 7 iterations. iteration 147: trace = 2.734950084071833 (0.0588352% change) linmin: converged after 10 iterations. iteration 148: trace = 2.732082394813406 (0.104908% change) linmin: converged after 5 iterations. iteration 149: trace = 2.731340115523151 (0.0271727% change) large trace change predicted (0.066467%) linmin: converged after 7 iterations. iteration 150: trace = 2.729522161691801 (0.0665812% change) linmin: converged after 4 iterations. iteration 151: trace = 2.72891463549496 (0.0222601% change) linmin: converged after 4 iterations. iteration 152: trace = 2.727938453189785 (0.0357782% change) linmin: converged after 6 iterations. iteration 153: trace = 2.727649314412402 (0.0105997% change) large trace change predicted (0.0314719%) linmin: converged after 5 iterations. iteration 154: trace = 2.726791830859148 (0.0314417% change) linmin: converged after 5 iterations. iteration 155: trace = 2.726414202246866 (0.0138498% change) large trace change predicted (0.0747307%) linmin: converged after 4 iterations. iteration 156: trace = 2.724395467475787 (0.074071% change) linmin: converged after 4 iterations. iteration 157: trace = 2.723687992722442 (0.0259715% change) linmin: converged after 4 iterations. iteration 158: trace = 2.722564479351532 (0.0412582% change) linmin: converged after 6 iterations. iteration 159: trace = 2.721742641544374 (0.0301907% change) linmin: converged after 6 iterations. iteration 160: trace = 2.720173117539718 (0.0576828% change) linmin: converged after 4 iterations. iteration 161: trace = 2.719126934528914 (0.0384676% change) large trace change predicted (0.105576%) linmin: converged after 4 iterations. iteration 162: trace = 2.716260242702058 (0.105483% change) linmin: converged after 5 iterations. iteration 163: trace = 2.715293689117474 (0.0355903% change) large trace change predicted (0.139385%) linmin: converged after 4 iterations. iteration 164: trace = 2.711486071436141 (0.140327% change) linmin: converged after 4 iterations. iteration 165: trace = 2.710549551642114 (0.034545% change) large trace change predicted (0.088161%) linmin: converged after 4 iterations. iteration 166: trace = 2.708140625122256 (0.0889118% change) linmin: converged after 7 iterations. iteration 167: trace = 2.707016991616928 (0.0414996% change) linmin: converged after 6 iterations. iteration 168: trace = 2.705086517550507 (0.0713391% change) linmin: converged after 6 iterations. iteration 169: trace = 2.704249185579521 (0.0309588% change) linmin: converged after 6 iterations. iteration 170: trace = 2.70286697756975 (0.0511255% change) linmin: converged after 6 iterations. iteration 171: trace = 2.702314851114448 (0.0204295% change) large trace change predicted (0.0431886%) linmin: converged after 6 iterations. iteration 172: trace = 2.701148865822604 (0.043157% change) linmin: converged after 6 iterations. iteration 173: trace = 2.700717737994567 (0.0159622% change) linmin: converged after 5 iterations. iteration 174: trace = 2.699926496369319 (0.0293017% change) linmin: converged after 9 iterations. iteration 175: trace = 2.699504711326707 (0.0156233% change) linmin: converged after 4 iterations. iteration 176: trace = 2.698895228285984 (0.0225801% change) linmin: converged after 5 iterations. iteration 177: trace = 2.69845248627361 (0.0164059% change) linmin: converged after 4 iterations. iteration 178: trace = 2.697993927855573 (0.0169948% change) linmin: converged after 9 iterations. iteration 179: trace = 2.697465798470492 (0.0195768% change) linmin: converged after 4 iterations. iteration 180: trace = 2.696665529696999 (0.0296718% change) linmin: converged after 7 iterations. iteration 181: trace = 2.696203637949456 (0.0171297% change) large trace change predicted (0.0347105%) linmin: converged after 5 iterations. iteration 182: trace = 2.695266855519616 (0.0347505% change) linmin: converged after 5 iterations. iteration 183: trace = 2.694439958230504 (0.0306843% change) large trace change predicted (0.0624104%) linmin: converged after 9 iterations. iteration 184: trace = 2.692752798118185 (0.062636% change) linmin: converged after 8 iterations. iteration 185: trace = 2.690742143608226 (0.074697% change) linmin: converged after 5 iterations. iteration 186: trace = 2.687553625591221 (0.11857% change) linmin: converged after 10 iterations. iteration 187: trace = 2.685786271118345 (0.0657823% change) large trace change predicted (0.272422%) linmin: converged after 5 iterations. iteration 188: trace = 2.678469038850558 (0.272814% change) linmin: converged after 5 iterations. iteration 189: trace = 2.675875271270749 (0.0968846% change) large trace change predicted (0.339205%) linmin: converged after 4 iterations. iteration 190: trace = 2.666749429302875 (0.341624% change) linmin: converged after 5 iterations. iteration 191: trace = 2.662935791754209 (0.143109% change) linmin: converged after 5 iterations. iteration 192: trace = 2.657097947243713 (0.219466% change) linmin: converged after 5 iterations. iteration 193: trace = 2.653500798862163 (0.135471% change) linmin: converged after 6 iterations. iteration 194: trace = 2.648519701485342 (0.187894% change) linmin: converged after 4 iterations. iteration 195: trace = 2.645319196327754 (0.120914% change) linmin: converged after 4 iterations. iteration 196: trace = 2.643049563980745 (0.0858349% change) linmin: converged after 5 iterations. iteration 197: trace = 2.639077161842874 (0.150409% change) linmin: converged after 7 iterations. iteration 198: trace = 2.637980234339716 (0.0415735% change) large trace change predicted (0.120144%) linmin: converged after 4 iterations. iteration 199: trace = 2.634788372723134 (0.12107% change) linmin: converged after 5 iterations. iteration 200: trace = 2.633992269155724 (0.0302197% change) large trace change predicted (0.0843001%) linmin: converged after 3 iterations. iteration 201: trace = 2.631753617625737 (0.0850269% change) linmin: converged after 6 iterations. iteration 202: trace = 2.630651895620766 (0.0418714% change) large trace change predicted (0.0971038%) linmin: converged after 9 iterations. iteration 203: trace = 2.628077536137525 (0.097908% change) linmin: converged after 4 iterations. iteration 204: trace = 2.626793183488546 (0.0488824% change) large trace change predicted (0.142943%) linmin: converged after 3 iterations. iteration 205: trace = 2.622986080692303 (0.145039% change) linmin: converged after 4 iterations. iteration 206: trace = 2.621383996907963 (0.0610973% change) large trace change predicted (0.232967%) linmin: converged after 4 iterations. iteration 207: trace = 2.615139473869272 (0.238499% change) linmin: converged after 3 iterations. iteration 208: trace = 2.612611956167025 (0.0966962% change) large trace change predicted (0.273615%) linmin: converged after 4 iterations. iteration 209: trace = 2.605294546018591 (0.280473% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.602501639585325 (0.107259% change) linmin: converged after 4 iterations. iteration 211: trace = 2.598226783311826 (0.164395% change) linmin: converged after 4 iterations. iteration 212: trace = 2.595438442445011 (0.107375% change) linmin: converged after 4 iterations. iteration 213: trace = 2.593716854831667 (0.0663533% change) large trace change predicted (0.153318%) linmin: converged after 4 iterations. iteration 214: trace = 2.589741715718366 (0.153378% change) linmin: converged after 5 iterations. iteration 215: trace = 2.588707419123327 (0.0399462% change) large trace change predicted (0.210518%) linmin: converged after 6 iterations. iteration 216: trace = 2.583253193893322 (0.210915% change) linmin: converged after 9 iterations. iteration 217: trace = 2.581730199574025 (0.0589738% change) large trace change predicted (0.133263%) linmin: converged after 5 iterations. iteration 218: trace = 2.578286680822565 (0.133469% change) linmin: converged after 7 iterations. iteration 219: trace = 2.575897179422247 (0.0927208% change) linmin: converged after 4 iterations. iteration 220: trace = 2.572968263562473 (0.113769% change) linmin: converged after 3 iterations. iteration 221: trace = 2.568394298969082 (0.177928% change) linmin: converged after 7 iterations. iteration 222: trace = 2.565762350762913 (0.102527% change) large trace change predicted (0.271659%) linmin: converged after 3 iterations. iteration 223: trace = 2.558743056249501 (0.27395% change) linmin: converged after 4 iterations. iteration 224: trace = 2.555855356893964 (0.11292% change) large trace change predicted (0.383531%) linmin: converged after 4 iterations. iteration 225: trace = 2.545964046426559 (0.387756% change) linmin: converged after 4 iterations. iteration 226: trace = 2.542272455031843 (0.145103% change) large trace change predicted (0.357961%) linmin: converged after 3 iterations. iteration 227: trace = 2.533094064316798 (0.361684% change) linmin: converged after 4 iterations. iteration 228: trace = 2.529281986486796 (0.150604% change) large trace change predicted (0.341752%) linmin: converged after 3 iterations. iteration 229: trace = 2.520565177206163 (0.345231% change) linmin: converged after 5 iterations. iteration 230: trace = 2.518048803871747 (0.0998836% change) large trace change predicted (0.265439%) linmin: converged after 4 iterations. iteration 231: trace = 2.511316892458201 (0.267704% change) linmin: converged after 7 iterations. iteration 232: trace = 2.510042722318929 (0.05075% change) large trace change predicted (0.139546%) linmin: converged after 3 iterations. iteration 233: trace = 2.50652768321382 (0.140137% change) linmin: converged after 6 iterations. iteration 234: trace = 2.50570701660063 (0.0327465% change) large trace change predicted (0.0895116%) linmin: converged after 6 iterations. iteration 235: trace = 2.503462764984659 (0.0896057% change) linmin: converged after 5 iterations. iteration 236: trace = 2.502020878554722 (0.0576123% change) linmin: converged after 3 iterations. iteration 237: trace = 2.499357133046416 (0.10652% change) linmin: converged after 4 iterations. iteration 238: trace = 2.498060229272503 (0.051903% change) large trace change predicted (0.134377%) linmin: converged after 3 iterations. iteration 239: trace = 2.494680578926055 (0.135383% change) linmin: converged after 3 iterations. iteration 240: trace = 2.492784206177824 (0.0760456% change) linmin: converged after 3 iterations. iteration 241: trace = 2.489548510931036 (0.129887% change) linmin: converged after 3 iterations. iteration 242: trace = 2.485323205274456 (0.169866% change) linmin: converged after 4 iterations. iteration 243: trace = 2.483243378713432 (0.0837194% change) large trace change predicted (0.199061%) linmin: converged after 3 iterations. iteration 244: trace = 2.478260870991282 (0.200847% change) linmin: converged after 8 iterations. iteration 245: trace = 2.476663235827183 (0.0644868% change) large trace change predicted (0.23638%) linmin: converged after 3 iterations. iteration 246: trace = 2.470771800393848 (0.238161% change) linmin: converged after 4 iterations. iteration 247: trace = 2.467263022187214 (0.142112% change) linmin: converged after 4 iterations. iteration 248: trace = 2.463512827262804 (0.152114% change) linmin: converged after 3 iterations. iteration 249: trace = 2.460173715285887 (0.135635% change) linmin: converged after 4 iterations. iteration 250: trace = 2.458464637430362 (0.0694939% change) large trace change predicted (0.161944%) linmin: converged after 3 iterations. iteration 251: trace = 2.454447849151615 (0.16352% change) linmin: converged after 4 iterations. iteration 252: trace = 2.452898905318962 (0.0631275% change) large trace change predicted (0.134015%) linmin: converged after 3 iterations. iteration 253: trace = 2.449577914497606 (0.135482% change) linmin: converged after 3 iterations. iteration 254: trace = 2.448630132296462 (0.0386991% change) linmin: converged after 4 iterations. iteration 255: trace = 2.447792953309919 (0.0341955% change) linmin: converged after 4 iterations. iteration 256: trace = 2.447309279190399 (0.0197616% change) linmin: converged after 5 iterations. iteration 257: trace = 2.447075084348053 (0.00956994% change) large trace change predicted (0.0198404%) linmin: converged after 3 iterations. iteration 258: trace = 2.446589451158328 (0.0198474% change) linmin: converged after 5 iterations. iteration 259: trace = 2.44643885622507 (0.00615549% change) large trace change predicted (0.0328875%) linmin: converged after 3 iterations. iteration 260: trace = 2.445633996009991 (0.0329047% change) linmin: converged after 6 iterations. iteration 261: trace = 2.445318466412624 (0.0129026% change) large trace change predicted (0.0608575%) linmin: converged after 3 iterations. iteration 262: trace = 2.443826921509546 (0.0610145% change) linmin: converged after 8 iterations. iteration 263: trace = 2.442960129708474 (0.0354749% change) large trace change predicted (0.0929087%) linmin: converged after 3 iterations. iteration 264: trace = 2.440675969398874 (0.0935434% change) linmin: converged after 4 iterations. iteration 265: trace = 2.439708508065579 (0.0396469% change) large trace change predicted (0.147496%) linmin: converged after 3 iterations. iteration 266: trace = 2.436077919336658 (0.148923% change) linmin: converged after 7 iterations. iteration 267: trace = 2.434989871206461 (0.0446739% change) large trace change predicted (0.13501%) linmin: converged after 3 iterations. iteration 268: trace = 2.431673039558048 (0.136308% change) linmin: converged after 4 iterations. iteration 269: trace = 2.430791547543352 (0.036257% change) large trace change predicted (0.0924884%) linmin: converged after 3 iterations. iteration 270: trace = 2.428532709530431 (0.0929692% change) linmin: converged after 4 iterations. iteration 271: trace = 2.428080183817308 (0.0186354% change) linmin: converged after 3 iterations. iteration 272: trace = 2.427352276899583 (0.0299832% change) linmin: converged after 5 iterations. iteration 273: trace = 2.427093882290142 (0.0106457% change) linmin: converged after 3 iterations. iteration 274: trace = 2.426602493386211 (0.020248% change) linmin: converged after 5 iterations. iteration 275: trace = 2.426458650763427 (0.00592791% change) large trace change predicted (0.0145955%) linmin: converged after 3 iterations. iteration 276: trace = 2.42610420864135 (0.0146085% change) linmin: converged after 9 iterations. iteration 277: trace = 2.426001026018845 (0.00425311% change) large trace change predicted (0.0130293%) linmin: converged after 4 iterations. iteration 278: trace = 2.425684744039484 (0.013038% change) linmin: converged after 4 iterations. iteration 279: trace = 2.425547908904644 (0.00564125% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.425456432332552 (0.00377145% change) linmin: converged after 3 iterations. iteration 281: trace = 2.425329023523761 (0.00525312% change) linmin: converged after 3 iterations. iteration 282: trace = 2.425209263141928 (0.00493802% change) linmin: converged after 5 iterations. iteration 283: trace = 2.425139361694731 (0.00288233% change) large trace change predicted (0.0101575%) linmin: converged after 4 iterations. iteration 284: trace = 2.424892873652419 (0.0101644% change) linmin: converged after 4 iterations. iteration 285: trace = 2.424794217343377 (0.00406856% change) large trace change predicted (0.0152137%) linmin: converged after 3 iterations. iteration 286: trace = 2.424425233233391 (0.0152183% change) linmin: converged after 4 iterations. iteration 287: trace = 2.423886327780014 (0.0222306% change) linmin: converged after 5 iterations. iteration 288: trace = 2.423609126297221 (0.0114369% change) large trace change predicted (0.0278068%) linmin: converged after 3 iterations. iteration 289: trace = 2.422934176240295 (0.0278528% change) linmin: converged after 7 iterations. iteration 290: trace = 2.422182661303272 (0.0310215% change) linmin: converged after 4 iterations. iteration 291: trace = 2.421816113520184 (0.0151341% change) linmin: converged after 3 iterations. iteration 292: trace = 2.421092952299891 (0.0298647% change) linmin: converged after 8 iterations. iteration 293: trace = 2.420928853410942 (0.00677811% change) linmin: converged after 3 iterations. iteration 294: trace = 2.420614966273286 (0.0129664% change) linmin: converged after 3 iterations. iteration 295: trace = 2.420423391102427 (0.00791463% change) linmin: converged after 4 iterations. iteration 296: trace = 2.420351654383627 (0.00296385% change) linmin: converged after 4 iterations. iteration 297: trace = 2.420227943006071 (0.00511143% change) linmin: converged after 4 iterations. iteration 298: trace = 2.420056192437012 (0.00709671% change) linmin: converged after 5 iterations. iteration 299: trace = 2.41997922460286 (0.00318047% change) large trace change predicted (0.00933409%) linmin: converged after 4 iterations. iteration 300: trace = 2.419753538390246 (0.00932639% change) linmin: converged after 5 iterations. iteration 301: trace = 2.419685427916214 (0.00281481% change) large trace change predicted (0.00607762%) linmin: converged after 8 iterations. iteration 302: trace = 2.419538451023052 (0.0060744% change) linmin: converged after 6 iterations. iteration 303: trace = 2.419396855475916 (0.00585234% change) linmin: converged after 4 iterations. iteration 304: trace = 2.419347300034381 (0.00204828% change) large trace change predicted (0.00847111%) linmin: converged after 6 iterations. iteration 305: trace = 2.419142483385138 (0.00846614% change) linmin: converged after 7 iterations. iteration 306: trace = 2.419070004982281 (0.00299608% change) large trace change predicted (0.0116725%) linmin: converged after 5 iterations. iteration 307: trace = 2.418787686606084 (0.0116712% change) linmin: converged after 6 iterations. iteration 308: trace = 2.418489990653812 (0.0123084% change) linmin: converged after 5 iterations. iteration 309: trace = 2.418281992445798 (0.0086007% change) large trace change predicted (0.0215931%) linmin: converged after 6 iterations. iteration 310: trace = 2.417760276407096 (0.0215762% change) linmin: converged after 5 iterations. iteration 311: trace = 2.417435188649911 (0.0134467% change) linmin: converged after 6 iterations. iteration 312: trace = 2.416805750619196 (0.0260408% change) linmin: converged after 7 iterations. iteration 313: trace = 2.416320700337448 (0.0200719% change) linmin: converged after 5 iterations. iteration 314: trace = 2.416241788340399 (0.00326584% change) large trace change predicted (0.00695951%) linmin: converged after 4 iterations. iteration 315: trace = 2.416073670003391 (0.00695809% change) linmin: converged after 6 iterations. iteration 316: trace = 2.41601284513149 (0.00251754% change) linmin: converged after 4 iterations. iteration 317: trace = 2.415961263335417 (0.00213502% change) large trace change predicted (0.0043315%) linmin: converged after 7 iterations. iteration 318: trace = 2.415856617529764 (0.00433153% change) linmin: converged after 5 iterations. iteration 319: trace = 2.415830097387928 (0.00109776% change) large trace change predicted (0.00369501%) linmin: converged after 5 iterations. iteration 320: trace = 2.415740854367253 (0.00369416% change) linmin: converged after 5 iterations. iteration 321: trace = 2.415707298352126 (0.00138907% change) large trace change predicted (0.00444085%) linmin: converged after 3 iterations. iteration 322: trace = 2.415600078669746 (0.00443854% change) linmin: converged after 5 iterations. iteration 323: trace = 2.415491021179368 (0.00451482% change) linmin: converged after 5 iterations. iteration 324: trace = 2.415410490161924 (0.003334% change) linmin: converged after 4 iterations. iteration 325: trace = 2.415254944952951 (0.00643991% change) linmin: converged after 4 iterations. iteration 326: trace = 2.415046129890972 (0.00864605% change) linmin: converged after 3 iterations. iteration 327: trace = 2.414972277783549 (0.00305805% change) large trace change predicted (0.00705234%) linmin: converged after 4 iterations. iteration 328: trace = 2.41480187476109 (0.00705636% change) linmin: converged after 4 iterations. iteration 329: trace = 2.414693138410026 (0.00450301% change) linmin: converged after 4 iterations. iteration 330: trace = 2.414626182250977 (0.0027729% change) large trace change predicted (0.00596213%) linmin: converged after 5 iterations. iteration 331: trace = 2.41448221362451 (0.00596253% change) linmin: converged after 4 iterations. iteration 332: trace = 2.414448144180044 (0.00141106% change) large trace change predicted (0.00381542%) linmin: converged after 3 iterations. iteration 333: trace = 2.414356026994811 (0.00381532% change) linmin: converged after 4 iterations. iteration 334: trace = 2.414292217436085 (0.00264296% change) linmin: converged after 6 iterations. iteration 335: trace = 2.414274976961073 (0.000714103% change) linmin: converged after 5 iterations. iteration 336: trace = 2.41424749585838 (0.00113828% change) linmin: converged after 5 iterations. iteration 337: trace = 2.414228923824201 (0.000769271% change) linmin: converged after 5 iterations. iteration 338: trace = 2.414219112327275 (0.000406404% change) large trace change predicted (0.00175654%) linmin: converged after 5 iterations. iteration 339: trace = 2.414176701400069 (0.00175673% change) linmin: converged after 5 iterations. iteration 340: trace = 2.414164289373766 (0.000514132% change) large trace change predicted (0.00362285%) linmin: converged after 3 iterations. iteration 341: trace = 2.414076812566992 (0.00362355% change) linmin: converged after 5 iterations. iteration 342: trace = 2.41393565185639 (0.00584757% change) linmin: converged after 5 iterations. iteration 343: trace = 2.413841194268387 (0.00391309% change) large trace change predicted (0.0112809%) linmin: converged after 4 iterations. iteration 344: trace = 2.413568614311757 (0.011293% change) linmin: converged after 5 iterations. iteration 345: trace = 2.413477319728524 (0.00378263% change) large trace change predicted (0.0111679%) linmin: converged after 3 iterations. iteration 346: trace = 2.413207365570949 (0.0111859% change) linmin: converged after 5 iterations. iteration 347: trace = 2.413070580848645 (0.00566833% change) linmin: converged after 5 iterations. iteration 348: trace = 2.413030384099815 (0.00166581% change) linmin: converged after 3 iterations. iteration 349: trace = 2.412977344368873 (0.00219808% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.412958092376421 (0.000797855% change) linmin: converged after 4 iterations. iteration 351: trace = 2.412944186537388 (0.0005763% change) large trace change predicted (0.00115838%) linmin: converged after 5 iterations. iteration 352: trace = 2.412916241354624 (0.00115814% change) linmin: converged after 5 iterations. iteration 353: trace = 2.412898546131054 (0.000733357% change) linmin: converged after 4 iterations. iteration 354: trace = 2.41286590797486 (0.00135266% change) linmin: converged after 5 iterations. iteration 355: trace = 2.412838275273388 (0.00114523% change) linmin: converged after 8 iterations. iteration 356: trace = 2.412819378003956 (0.0007832% change) linmin: converged after 12 iterations. iteration 357: trace = 2.412787122255042 (0.00133686% change) linmin: converged after 5 iterations. iteration 358: trace = 2.412779151682144 (0.000330348% change) large trace change predicted (0.00077371%) linmin: converged after 4 iterations. iteration 359: trace = 2.412760484552215 (0.000773681% change) linmin: converged after 5 iterations. iteration 360: trace = 2.412735338182783 (0.00104223% change) linmin: converged after 7 iterations. iteration 361: trace = 2.4127183686781 (0.000703333% change) large trace change predicted (0.00185915%) linmin: converged after 6 iterations. iteration 362: trace = 2.412673508075089 (0.00185936% change) linmin: converged after 5 iterations. iteration 363: trace = 2.412653995667547 (0.00080875% change) large trace change predicted (0.00290444%) linmin: converged after 3 iterations. iteration 364: trace = 2.412583932793069 (0.00290402% change) linmin: converged after 5 iterations. iteration 365: trace = 2.412548947115566 (0.00145014% change) large trace change predicted (0.00300818%) linmin: converged after 4 iterations. iteration 366: trace = 2.412476403188062 (0.00300699% change) linmin: converged after 3 iterations. iteration 367: trace = 2.412401118052748 (0.00312071% change) linmin: converged after 5 iterations. iteration 368: trace = 2.412370979376927 (0.00124933% change) large trace change predicted (0.00294526%) linmin: converged after 5 iterations. iteration 369: trace = 2.412299940811616 (0.0029448% change) linmin: converged after 5 iterations. iteration 370: trace = 2.412281881316058 (0.000748645% change) linmin: converged after 5 iterations. iteration 371: trace = 2.412248577538592 (0.0013806% change) linmin: converged after 5 iterations. iteration 372: trace = 2.41223860759855 (0.000413306% change) linmin: converged after 6 iterations. iteration 373: trace = 2.412231359508706 (0.000300472% change) linmin: converged after 6 iterations. iteration 374: trace = 2.41222132841783 (0.000415844% change) linmin: converged after 5 iterations. iteration 375: trace = 2.412216242942324 (0.000210821% change) large trace change predicted (0.00072922%) linmin: converged after 5 iterations. iteration 376: trace = 2.412198649038367 (0.000729369% change) linmin: converged after 4 iterations. iteration 377: trace = 2.412178949939009 (0.000816648% change) linmin: converged after 5 iterations. iteration 378: trace = 2.41214855897637 (0.0012599% change) linmin: converged after 4 iterations. iteration 379: trace = 2.412104053526888 (0.00184507% change) linmin: converged after 3 iterations. iteration 380: trace = 2.412080240623456 (0.00098723% change) large trace change predicted (0.00246305%) linmin: converged after 6 iterations. iteration 381: trace = 2.412020807051376 (0.00246403% change) linmin: converged after 15 iterations. iteration 382: trace = 2.411973698873427 (0.00195308% change) linmin: converged after 4 iterations. iteration 383: trace = 2.411903871828019 (0.00289506% change) linmin: converged after 5 iterations. iteration 384: trace = 2.411801156507217 (0.00425877% change) linmin: converged after 6 iterations. iteration 385: trace = 2.411731816763695 (0.00287506% change) linmin: converged after 3 iterations. iteration 386: trace = 2.411598310239355 (0.00553587% change) linmin: converged after 4 iterations. iteration 387: trace = 2.411529071867097 (0.0028711% change) large trace change predicted (0.00740489%) linmin: converged after 5 iterations. iteration 388: trace = 2.411350480844088 (0.00740599% change) linmin: converged after 4 iterations. iteration 389: trace = 2.411233800911248 (0.0048389% change) linmin: converged after 5 iterations. iteration 390: trace = 2.411160048038394 (0.00305877% change) linmin: converged after 4 iterations. iteration 391: trace = 2.411071925929188 (0.00365483% change) linmin: converged after 5 iterations. iteration 392: trace = 2.411050622414977 (0.000883574% change) linmin: converged after 3 iterations. iteration 393: trace = 2.41101385150018 (0.00152511% change) linmin: converged after 3 iterations. iteration 394: trace = 2.410997394176545 (0.000682592% change) linmin: converged after 4 iterations. iteration 395: trace = 2.410977271535709 (0.000834622% change) linmin: converged after 5 iterations. iteration 396: trace = 2.410937309307222 (0.00165753% change) linmin: converged after 5 iterations. iteration 397: trace = 2.410918125106366 (0.000795719% change) large trace change predicted (0.00311544%) linmin: converged after 6 iterations. iteration 398: trace = 2.410842986991483 (0.00311663% change) linmin: converged after 5 iterations. iteration 399: trace = 2.41080973393768 (0.00137932% change) large trace change predicted (0.00291%) linmin: converged after 5 iterations. iteration 400: trace = 2.410739532115938 (0.002912% change) linmin: converged after 5 iterations. iteration 401: trace = 2.410664669274483 (0.00310544% change) linmin: converged after 5 iterations. iteration 402: trace = 2.410552887049915 (0.0046371% change) linmin: converged after 4 iterations. iteration 403: trace = 2.410349498574735 (0.00843778% change) linmin: converged after 5 iterations. iteration 404: trace = 2.410247467713317 (0.00423312% change) linmin: converged after 6 iterations. iteration 405: trace = 2.410109779272211 (0.00571279% change) linmin: converged after 5 iterations. iteration 406: trace = 2.410046036568734 (0.00264484% change) linmin: converged after 5 iterations. iteration 407: trace = 2.409960070641615 (0.00356705% change) linmin: converged after 4 iterations. iteration 408: trace = 2.409900657652954 (0.00246534% change) linmin: converged after 4 iterations. iteration 409: trace = 2.4098448769595 (0.00231467% change) linmin: converged after 5 iterations. iteration 410: trace = 2.409765691820529 (0.00328596% change) linmin: converged after 5 iterations. iteration 411: trace = 2.40972606929655 (0.00164426% change) linmin: converged after 5 iterations. iteration 412: trace = 2.409650066208098 (0.00315406% change) linmin: converged after 8 iterations. iteration 413: trace = 2.409606293325892 (0.00181658% change) linmin: converged after 5 iterations. iteration 414: trace = 2.409534386414847 (0.00298422% change) linmin: converged after 5 iterations. iteration 415: trace = 2.409470165137451 (0.00266533% change) linmin: converged after 5 iterations. iteration 416: trace = 2.409437705109584 (0.00134719% change) linmin: converged after 5 iterations. iteration 417: trace = 2.409387052082649 (0.0021023% change) linmin: converged after 8 iterations. iteration 418: trace = 2.409366453536216 (0.000854933% change) large trace change predicted (0.0022058%) linmin: converged after 5 iterations. iteration 419: trace = 2.409313296913291 (0.00220627% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.409287425703921 (0.00107381% change) linmin: converged after 5 iterations. iteration 421: trace = 2.409267190493871 (0.000839887% change) large trace change predicted (0.00196727%) linmin: converged after 6 iterations. iteration 422: trace = 2.409219801679697 (0.00196696% change) linmin: converged after 5 iterations. iteration 423: trace = 2.409204193177113 (0.000647868% change) large trace change predicted (0.00309081%) linmin: converged after 4 iterations. iteration 424: trace = 2.40912975131398 (0.00308994% change) linmin: converged after 4 iterations. iteration 425: trace = 2.409087094882162 (0.00177063% change) linmin: converged after 3 iterations. iteration 426: trace = 2.409046497537967 (0.00168519% change) linmin: converged after 5 iterations. iteration 427: trace = 2.408980518253521 (0.00273885% change) linmin: converged after 4 iterations. iteration 428: trace = 2.408951597724842 (0.00120054% change) linmin: converged after 5 iterations. iteration 429: trace = 2.408911712310085 (0.00165573% change) linmin: converged after 5 iterations. iteration 430: trace = 2.408857624651632 (0.00224534% change) linmin: converged after 5 iterations. iteration 431: trace = 2.408833758688919 (0.000990763% change) large trace change predicted (0.00345919%) linmin: converged after 5 iterations. iteration 432: trace = 2.408750489844308 (0.00345687% change) linmin: converged after 4 iterations. iteration 433: trace = 2.408723882556862 (0.00110462% change) large trace change predicted (0.00323725%) linmin: converged after 3 iterations. iteration 434: trace = 2.408645956803237 (0.0032352% change) linmin: converged after 3 iterations. iteration 435: trace = 2.40855904776062 (0.00360828% change) linmin: converged after 7 iterations. iteration 436: trace = 2.40852618076087 (0.0013646% change) large trace change predicted (0.00364536%) linmin: converged after 3 iterations. iteration 437: trace = 2.408438436829843 (0.00364312% change) linmin: converged after 5 iterations. iteration 438: trace = 2.408395811469374 (0.00176985% change) linmin: converged after 5 iterations. iteration 439: trace = 2.408354438275061 (0.00171789% change) linmin: converged after 5 iterations. iteration 440: trace = 2.408324265818377 (0.00125283% change) linmin: converged after 4 iterations. iteration 441: trace = 2.40831169627634 (0.000521922% change) linmin: converged after 3 iterations. iteration 442: trace = 2.40829053587938 (0.000878644% change) linmin: converged after 5 iterations. iteration 443: trace = 2.408267955796463 (0.000937602% change) linmin: converged after 5 iterations. iteration 444: trace = 2.408251629156538 (0.000677943% change) large trace change predicted (0.00177254%) linmin: converged after 4 iterations. iteration 445: trace = 2.408208935315483 (0.00177283% change) linmin: converged after 10 iterations. iteration 446: trace = 2.408188852947106 (0.000833917% change) large trace change predicted (0.00302169%) linmin: converged after 6 iterations. iteration 447: trace = 2.408116129935441 (0.00301987% change) linmin: converged after 7 iterations. iteration 448: trace = 2.40804441074114 (0.00297827% change) linmin: converged after 4 iterations. iteration 449: trace = 2.407969059358527 (0.0031292% change) linmin: converged after 6 iterations. iteration 450: trace = 2.40783290126076 (0.00565464% change) linmin: converged after 4 iterations. iteration 451: trace = 2.407787768231651 (0.00187444% change) large trace change predicted (0.00463887%) linmin: converged after 5 iterations. iteration 452: trace = 2.407676120668092 (0.00463704% change) linmin: converged after 4 iterations. iteration 453: trace = 2.407607314357823 (0.00285783% change) linmin: converged after 3 iterations. iteration 454: trace = 2.407564823508349 (0.00176487% change) linmin: converged after 4 iterations. iteration 455: trace = 2.407513187509442 (0.00214476% change) linmin: converged after 5 iterations. iteration 456: trace = 2.40749394583152 (0.000799238% change) linmin: converged after 4 iterations. iteration 457: trace = 2.407465317183599 (0.00118915% change) linmin: converged after 5 iterations. iteration 458: trace = 2.407435285463889 (0.00124745% change) linmin: converged after 5 iterations. iteration 459: trace = 2.407421231867624 (0.00058376% change) linmin: converged after 5 iterations. iteration 460: trace = 2.40739663858308 (0.00102157% change) linmin: converged after 8 iterations. iteration 461: trace = 2.407391869825743 (0.000198088% change) large trace change predicted (0.000405187%) linmin: converged after 4 iterations. iteration 462: trace = 2.407382117554732 (0.000405098% change) linmin: converged after 5 iterations. iteration 463: trace = 2.407371988739161 (0.000420741% change) linmin: converged after 6 iterations. iteration 464: trace = 2.407368323197194 (0.000152263% change) large trace change predicted (0.000819017%) linmin: converged after 5 iterations. iteration 465: trace = 2.407348608001826 (0.000818956% change) linmin: converged after 5 iterations. iteration 466: trace = 2.407320938714247 (0.00114937% change) linmin: converged after 10 iterations. iteration 467: trace = 2.407297733660633 (0.000963941% change) large trace change predicted (0.00228594%) linmin: converged after 5 iterations. iteration 468: trace = 2.407242723373789 (0.00228517% change) linmin: converged after 8 iterations. iteration 469: trace = 2.40720654781344 (0.00150279% change) linmin: converged after 5 iterations. iteration 470: trace = 2.407146306511494 (0.00250257% change) linmin: converged after 5 iterations. iteration 471: trace = 2.407082264152309 (0.00266055% change) linmin: converged after 5 iterations. iteration 472: trace = 2.407055848581008 (0.00109742% change) large trace change predicted (0.00355969%) linmin: converged after 5 iterations. iteration 473: trace = 2.406970224177726 (0.00355729% change) linmin: converged after 8 iterations. iteration 474: trace = 2.406956562906117 (0.000567573% change) large trace change predicted (0.0017044%) linmin: converged after 3 iterations. iteration 475: trace = 2.406915548994534 (0.00170399% change) linmin: converged after 7 iterations. iteration 476: trace = 2.406896101819472 (0.000807974% change) linmin: converged after 7 iterations. iteration 477: trace = 2.406882530887512 (0.000563837% change) linmin: converged after 6 iterations. iteration 478: trace = 2.406855988103139 (0.00110279% change) linmin: converged after 7 iterations. iteration 479: trace = 2.406843128840322 (0.000534278% change) large trace change predicted (0.00111275%) linmin: converged after 5 iterations. iteration 480: trace = 2.406816356440344 (0.00111235% change) linmin: converged after 9 iterations. iteration 481: trace = 2.40679921446282 (0.000712229% change) linmin: converged after 4 iterations. iteration 482: trace = 2.406787672923606 (0.00047954% change) linmin: converged after 5 iterations. iteration 483: trace = 2.406766457621487 (0.000881482% change) linmin: converged after 6 iterations. iteration 484: trace = 2.40675655400014 (0.000411492% change) linmin: converged after 4 iterations. iteration 485: trace = 2.406743704842799 (0.00053388% change) linmin: converged after 8 iterations. iteration 486: trace = 2.406726019593901 (0.000734823% change) linmin: converged after 5 iterations. iteration 487: trace = 2.406709523673084 (0.000685412% change) large trace change predicted (0.00224017%) linmin: converged after 3 iterations. iteration 488: trace = 2.406655634442125 (0.00223915% change) linmin: converged after 5 iterations. iteration 489: trace = 2.406607921499178 (0.00198256% change) resetting CG direction... linmin: converged after 6 iterations. iteration 490: trace = 2.406577353469841 (0.00127018% change) linmin: converged after 3 iterations. iteration 491: trace = 2.406535606840011 (0.0017347% change) linmin: converged after 5 iterations. iteration 492: trace = 2.406515557267451 (0.000833134% change) linmin: converged after 5 iterations. iteration 493: trace = 2.406494854422019 (0.000860287% change) linmin: converged after 5 iterations. iteration 494: trace = 2.40648216873415 (0.000527145% change) linmin: converged after 4 iterations. iteration 495: trace = 2.406469747133563 (0.000516174% change) linmin: converged after 3 iterations. iteration 496: trace = 2.406458604675681 (0.000463022% change) linmin: converged after 5 iterations. iteration 497: trace = 2.40644924364477 (0.000388997% change) linmin: converged after 5 iterations. iteration 498: trace = 2.406436362949932 (0.000535259% change) linmin: converged after 5 iterations. iteration 499: trace = 2.406425912722062 (0.000434262% change) linmin: converged after 8 iterations. iteration 500: trace = 2.406408206195094 (0.000735805% change) linmin: converged after 5 iterations. iteration 501: trace = 2.406399831903613 (0.000348% change) large trace change predicted (0.00102533%) linmin: converged after 4 iterations. iteration 502: trace = 2.406375162572453 (0.00102516% change) linmin: converged after 6 iterations. iteration 503: trace = 2.406368754749756 (0.000266286% change) large trace change predicted (0.000956394%) linmin: converged after 6 iterations. iteration 504: trace = 2.40634574424264 (0.000956238% change) linmin: converged after 5 iterations. iteration 505: trace = 2.40633634165313 (0.000390742% change) large trace change predicted (0.00104053%) linmin: converged after 7 iterations. iteration 506: trace = 2.406311303663279 (0.00104051% change) linmin: converged after 3 iterations. iteration 507: trace = 2.406282012293107 (0.00121728% change) linmin: converged after 6 iterations. iteration 508: trace = 2.406252394795445 (0.00123085% change) large trace change predicted (0.00287277%) linmin: converged after 3 iterations. iteration 509: trace = 2.406183275736447 (0.00287252% change) linmin: converged after 5 iterations. iteration 510: trace = 2.406167799963178 (0.000643169% change) large trace change predicted (0.00310487%) linmin: converged after 3 iterations. iteration 511: trace = 2.406093092633135 (0.00310487% change) linmin: converged after 6 iterations. iteration 512: trace = 2.40606550935689 (0.0011464% change) linmin: converged after 4 iterations. iteration 513: trace = 2.406030763884062 (0.00144409% change) linmin: converged after 5 iterations. iteration 514: trace = 2.405985200000722 (0.00189375% change) linmin: converged after 6 iterations. iteration 515: trace = 2.405977083049585 (0.000337366% change) large trace change predicted (0.000846986%) linmin: converged after 5 iterations. iteration 516: trace = 2.405956703960279 (0.000847023% change) linmin: converged after 5 iterations. iteration 517: trace = 2.405948889548555 (0.000324795% change) linmin: converged after 4 iterations. iteration 518: trace = 2.405942061190459 (0.000283812% change) linmin: converged after 6 iterations. iteration 519: trace = 2.405932907864458 (0.000380447% change) linmin: converged after 4 iterations. iteration 520: trace = 2.405927320727572 (0.000232224% change) large trace change predicted (0.000801157%) linmin: converged after 3 iterations. iteration 521: trace = 2.405908049116966 (0.000801009% change) linmin: converged after 3 iterations. iteration 522: trace = 2.405888764793276 (0.000801544% change) linmin: converged after 5 iterations. iteration 523: trace = 2.405870443131441 (0.000761537% change) large trace change predicted (0.00173729%) linmin: converged after 5 iterations. iteration 524: trace = 2.405828663686648 (0.00173658% change) linmin: converged after 3 iterations. iteration 525: trace = 2.405806952981375 (0.000902425% change) large trace change predicted (0.00211944%) linmin: converged after 5 iterations. iteration 526: trace = 2.405755987820135 (0.00211845% change) linmin: converged after 4 iterations. iteration 527: trace = 2.405709075327722 (0.00195003% change) linmin: converged after 8 iterations. iteration 528: trace = 2.405669623857619 (0.00163992% change) large trace change predicted (0.00463582%) linmin: converged after 5 iterations. iteration 529: trace = 2.405558119950058 (0.00463515% change) linmin: converged after 5 iterations. iteration 530: trace = 2.405513842306455 (0.00184066% change) large trace change predicted (0.00507465%) linmin: converged after 3 iterations. iteration 531: trace = 2.405391805640254 (0.00507333% change) linmin: converged after 5 iterations. iteration 532: trace = 2.405302776466054 (0.0037013% change) linmin: converged after 6 iterations. iteration 533: trace = 2.405225670469314 (0.00320572% change) linmin: converged after 5 iterations. iteration 534: trace = 2.405125384558691 (0.00416959% change) linmin: converged after 4 iterations. iteration 535: trace = 2.405094607781826 (0.00127964% change) large trace change predicted (0.00304987%) linmin: converged after 9 iterations. iteration 536: trace = 2.405021257228067 (0.00304985% change) linmin: converged after 4 iterations. iteration 537: trace = 2.405009384037696 (0.000493685% change) large trace change predicted (0.00132184%) linmin: converged after 4 iterations. iteration 538: trace = 2.404977586892497 (0.00132213% change) linmin: converged after 6 iterations. iteration 539: trace = 2.404959988643492 (0.000731745% change) linmin: converged after 5 iterations. iteration 540: trace = 2.404946988248541 (0.000540567% change) large trace change predicted (0.0015967%) linmin: converged after 5 iterations. iteration 541: trace = 2.404908573238 (0.00159735% change) linmin: converged after 6 iterations. iteration 542: trace = 2.404896154483712 (0.000516393% change) large trace change predicted (0.00287666%) linmin: converged after 4 iterations. iteration 543: trace = 2.404826963510332 (0.00287713% change) linmin: converged after 6 iterations. iteration 544: trace = 2.404787406254018 (0.00164492% change) linmin: converged after 5 iterations. iteration 545: trace = 2.404736044893518 (0.00213582% change) large trace change predicted (0.00443929%) linmin: converged after 3 iterations. iteration 546: trace = 2.404629294934921 (0.00443925% change) linmin: converged after 6 iterations. iteration 547: trace = 2.4045845791738 (0.00185959% change) large trace change predicted (0.00466007%) linmin: converged after 4 iterations. iteration 548: trace = 2.404472586290214 (0.00465758% change) linmin: converged after 6 iterations. iteration 549: trace = 2.404434488341275 (0.00158447% change) large trace change predicted (0.00443587%) linmin: converged after 4 iterations. iteration 550: trace = 2.404327823952165 (0.00443625% change) linmin: converged after 4 iterations. iteration 551: trace = 2.404304216127492 (0.000981894% change) large trace change predicted (0.00258222%) linmin: converged after 7 iterations. iteration 552: trace = 2.404242123612877 (0.00258259% change) linmin: converged after 12 iterations. iteration 553: trace = 2.404215922729015 (0.00108978% change) linmin: converged after 5 iterations. iteration 554: trace = 2.404164655472735 (0.00213241% change) linmin: converged after 5 iterations. iteration 555: trace = 2.404122910393553 (0.00173638% change) linmin: converged after 4 iterations. iteration 556: trace = 2.404058275216116 (0.00268855% change) linmin: converged after 8 iterations. iteration 557: trace = 2.404006846623001 (0.00213926% change) linmin: converged after 5 iterations. iteration 558: trace = 2.403950806811292 (0.00233113% change) linmin: converged after 6 iterations. iteration 559: trace = 2.403897883883366 (0.00220152% change) resetting CG direction... linmin: converged after 6 iterations. iteration 560: trace = 2.403878736992528 (0.000796497% change) linmin: converged after 4 iterations. iteration 561: trace = 2.403846928345224 (0.00132323% change) linmin: converged after 6 iterations. iteration 562: trace = 2.403824804924251 (0.000920338% change) linmin: converged after 4 iterations. iteration 563: trace = 2.40380664787852 (0.000755343% change) large trace change predicted (0.00190861%) linmin: converged after 4 iterations. iteration 564: trace = 2.403760773619517 (0.00190842% change) linmin: converged after 6 iterations. iteration 565: trace = 2.403736551598012 (0.00100768% change) large trace change predicted (0.00387845%) linmin: converged after 4 iterations. iteration 566: trace = 2.403643348766122 (0.00387749% change) linmin: converged after 7 iterations. iteration 567: trace = 2.403544438471036 (0.0041151% change) linmin: converged after 4 iterations. iteration 568: trace = 2.40348158036816 (0.00261526% change) linmin: converged after 7 iterations. iteration 569: trace = 2.403363671687726 (0.00490587% change) linmin: converged after 5 iterations. iteration 570: trace = 2.403297018360325 (0.00277337% change) linmin: converged after 5 iterations. iteration 571: trace = 2.403255147059998 (0.00174226% change) linmin: converged after 6 iterations. iteration 572: trace = 2.40317455990013 (0.00335331% change) linmin: converged after 6 iterations. iteration 573: trace = 2.403154186498361 (0.000847774% change) large trace change predicted (0.00360817%) linmin: converged after 4 iterations. iteration 574: trace = 2.4030674909499 (0.00360764% change) linmin: converged after 4 iterations. iteration 575: trace = 2.403012650267774 (0.00228214% change) linmin: converged after 3 iterations. iteration 576: trace = 2.402962873066075 (0.00207147% change) linmin: converged after 3 iterations. iteration 577: trace = 2.402919977614044 (0.00178512% change) linmin: converged after 4 iterations. iteration 578: trace = 2.402896733822861 (0.000967319% change) large trace change predicted (0.00204625%) linmin: converged after 5 iterations. iteration 579: trace = 2.402847577715611 (0.00204572% change) linmin: converged after 4 iterations. iteration 580: trace = 2.402807033410863 (0.00168736% change) linmin: converged after 3 iterations. iteration 581: trace = 2.402777532535984 (0.00122777% change) linmin: converged after 3 iterations. iteration 582: trace = 2.402739930900951 (0.00156494% change) linmin: converged after 5 iterations. iteration 583: trace = 2.402720125343526 (0.000824294% change) linmin: converged after 4 iterations. iteration 584: trace = 2.402687763069366 (0.00134691% change) large trace change predicted (0.00290311%) linmin: converged after 5 iterations. iteration 585: trace = 2.402618052886326 (0.00290138% change) linmin: converged after 5 iterations. iteration 586: trace = 2.402590772605703 (0.00113545% change) large trace change predicted (0.00576794%) linmin: converged after 9 iterations. iteration 587: trace = 2.402452368751609 (0.00576077% change) linmin: converged after 3 iterations. iteration 588: trace = 2.402340839589299 (0.00464241% change) linmin: converged after 7 iterations. iteration 589: trace = 2.402226500440043 (0.0047596% change) linmin: converged after 5 iterations. iteration 590: trace = 2.402094160427195 (0.00550921% change) linmin: converged after 4 iterations. iteration 591: trace = 2.402028738734665 (0.00272356% change) linmin: converged after 8 iterations. iteration 592: trace = 2.40193632985058 (0.00384719% change) linmin: converged after 5 iterations. iteration 593: trace = 2.401875892730049 (0.00251621% change) linmin: converged after 12 iterations. iteration 594: trace = 2.40185769126464 (0.000757805% change) large trace change predicted (0.00158397%) linmin: converged after 4 iterations. iteration 595: trace = 2.401819651080237 (0.00158379% change) linmin: converged after 3 iterations. iteration 596: trace = 2.401807708348334 (0.000497238% change) linmin: converged after 4 iterations. iteration 597: trace = 2.401792593061487 (0.000629332% change) linmin: converged after 5 iterations. iteration 598: trace = 2.401768947664185 (0.000984494% change) linmin: converged after 6 iterations. iteration 599: trace = 2.401762216460676 (0.000280261% change) large trace change predicted (0.00105261%) linmin: converged after 3 iterations. iteration 600: trace = 2.4017369389012 (0.00105246% change) linmin: converged after 6 iterations. iteration 601: trace = 2.401727062384461 (0.000411225% change) linmin: converged after 5 iterations. iteration 602: trace = 2.401714255105116 (0.000533254% change) linmin: converged after 4 iterations. iteration 603: trace = 2.4016968970432 (0.000722739% change) linmin: converged after 6 iterations. iteration 604: trace = 2.401688806682655 (0.000336861% change) large trace change predicted (0.00113936%) linmin: converged after 7 iterations. iteration 605: trace = 2.401661449259016 (0.0011391% change) linmin: converged after 4 iterations. iteration 606: trace = 2.401620882925068 (0.00168911% change) linmin: converged after 13 iterations. iteration 607: trace = 2.401575027100097 (0.00190939% change) large trace change predicted (0.00394296%) linmin: converged after 3 iterations. iteration 608: trace = 2.401480388969659 (0.00394075% change) linmin: converged after 5 iterations. iteration 609: trace = 2.401406990288653 (0.00305644% change) linmin: converged after 8 iterations. iteration 610: trace = 2.401317376248728 (0.0037318% change) linmin: converged after 5 iterations. iteration 611: trace = 2.401245887182211 (0.00297712% change) linmin: converged after 5 iterations. iteration 612: trace = 2.401228773172378 (0.000712716% change) large trace change predicted (0.00156302%) linmin: converged after 5 iterations. iteration 613: trace = 2.4011912330083 (0.00156339% change) linmin: converged after 5 iterations. iteration 614: trace = 2.401176877196626 (0.000597864% change) linmin: converged after 6 iterations. iteration 615: trace = 2.401157429605223 (0.000809922% change) linmin: converged after 5 iterations. iteration 616: trace = 2.401137025417903 (0.000849768% change) linmin: converged after 5 iterations. iteration 617: trace = 2.401129955714504 (0.000294432% change) large trace change predicted (0.000844026%) linmin: converged after 4 iterations. iteration 618: trace = 2.401109689483699 (0.000844032% change) linmin: converged after 5 iterations. iteration 619: trace = 2.401091065937965 (0.000775625% change) linmin: converged after 5 iterations. iteration 620: trace = 2.401073869481546 (0.000716196% change) linmin: converged after 5 iterations. iteration 621: trace = 2.401045611149328 (0.00117691% change) linmin: converged after 5 iterations. iteration 622: trace = 2.401024789401927 (0.000867199% change) linmin: converged after 7 iterations. iteration 623: trace = 2.400985585103309 (0.00163283% change) linmin: converged after 5 iterations. iteration 624: trace = 2.400950516491264 (0.0014606% change) linmin: converged after 6 iterations. iteration 625: trace = 2.400921724514769 (0.0011992% change) large trace change predicted (0.00442853%) linmin: converged after 5 iterations. iteration 626: trace = 2.400815436912767 (0.00442705% change) linmin: converged after 5 iterations. iteration 627: trace = 2.400758891856712 (0.00235527% change) linmin: converged after 4 iterations. iteration 628: trace = 2.400674889902897 (0.00349904% change) linmin: converged after 5 iterations. iteration 629: trace = 2.400539021663387 (0.00565975% change) resetting CG direction... linmin: converged after 6 iterations. iteration 630: trace = 2.400448940520251 (0.00375261% change) linmin: converged after 8 iterations. iteration 631: trace = 2.400371093998 (0.00324305% change) linmin: converged after 5 iterations. iteration 632: trace = 2.40029571307695 (0.00314044% change) linmin: converged after 5 iterations. iteration 633: trace = 2.400212714335126 (0.00345791% change) linmin: converged after 4 iterations. iteration 634: trace = 2.40014741730044 (0.00272051% change) linmin: converged after 3 iterations. iteration 635: trace = 2.400133591440214 (0.000576044% change) large trace change predicted (0.00171384%) linmin: converged after 5 iterations. iteration 636: trace = 2.40009246268975 (0.00171362% change) linmin: converged after 5 iterations. iteration 637: trace = 2.400072356913596 (0.000837712% change) linmin: converged after 5 iterations. iteration 638: trace = 2.400056653307066 (0.000654299% change) linmin: converged after 3 iterations. iteration 639: trace = 2.400032143309593 (0.00102123% change) linmin: converged after 5 iterations. iteration 640: trace = 2.40002288274058 (0.000385853% change) large trace change predicted (0.000883049%) linmin: converged after 13 iterations. iteration 641: trace = 2.400001691594345 (0.00088296% change) linmin: converged after 4 iterations. iteration 642: trace = 2.399982044273439 (0.000818641% change) linmin: converged after 4 iterations. iteration 643: trace = 2.399976069778171 (0.000248939% change) large trace change predicted (0.0010033%) linmin: converged after 3 iterations. iteration 644: trace = 2.399951987441472 (0.00100345% change) linmin: converged after 8 iterations. iteration 645: trace = 2.39993237997668 (0.000816997% change) linmin: converged after 5 iterations. iteration 646: trace = 2.399910671704903 (0.000904541% change) large trace change predicted (0.00251589%) linmin: converged after 3 iterations. iteration 647: trace = 2.399850284857141 (0.00251624% change) linmin: converged after 5 iterations. iteration 648: trace = 2.399829116036321 (0.000882093% change) large trace change predicted (0.00376049%) linmin: converged after 4 iterations. iteration 649: trace = 2.399738897782539 (0.00375943% change) linmin: converged after 4 iterations. iteration 650: trace = 2.399670075442045 (0.00286795% change) linmin: converged after 5 iterations. iteration 651: trace = 2.399601011617795 (0.0028781% change) linmin: converged after 5 iterations. iteration 652: trace = 2.399548364891094 (0.002194% change) linmin: converged after 4 iterations. iteration 653: trace = 2.399520651546327 (0.00115495% change) linmin: converged after 3 iterations. iteration 654: trace = 2.399494804205672 (0.00107719% change) linmin: converged after 5 iterations. iteration 655: trace = 2.399480070121222 (0.000614051% change) linmin: converged after 6 iterations. iteration 656: trace = 2.399470795435928 (0.00038653% change) linmin: converged after 3 iterations. iteration 657: trace = 2.399454389865875 (0.000683719% change) linmin: converged after 3 iterations. iteration 658: trace = 2.399445758108693 (0.000359739% change) linmin: converged after 4 iterations. iteration 659: trace = 2.399429786331971 (0.000665647% change) linmin: converged after 4 iterations. iteration 660: trace = 2.399407385281236 (0.000933603% change) linmin: converged after 5 iterations. iteration 661: trace = 2.399400282885068 (0.000296007% change) large trace change predicted (0.00109265%) linmin: converged after 4 iterations. iteration 662: trace = 2.399374067441653 (0.00109259% change) linmin: converged after 2 iterations. iteration 663: trace = 2.399347448526156 (0.00110942% change) linmin: converged after 5 iterations. iteration 664: trace = 2.399318769618348 (0.00119529% change) linmin: converged after 3 iterations. iteration 665: trace = 2.399261852897858 (0.00237223% change) linmin: converged after 5 iterations. iteration 666: trace = 2.399224078485799 (0.00157443% change) linmin: converged after 6 iterations. iteration 667: trace = 2.399149865363118 (0.00309326% change) linmin: converged after 4 iterations. iteration 668: trace = 2.399045479083078 (0.00435106% change) linmin: converged after 5 iterations. iteration 669: trace = 2.398983133645272 (0.00259879% change) large trace change predicted (0.00770133%) linmin: converged after 6 iterations. iteration 670: trace = 2.398798508777453 (0.00769626% change) linmin: converged after 4 iterations. iteration 671: trace = 2.398750961747214 (0.00198214% change) linmin: converged after 5 iterations. iteration 672: trace = 2.398656098098674 (0.00395479% change) linmin: converged after 5 iterations. iteration 673: trace = 2.398623906945157 (0.00134206% change) linmin: converged after 4 iterations. iteration 674: trace = 2.398590914172487 (0.0013755% change) linmin: converged after 5 iterations. iteration 675: trace = 2.398551154052113 (0.00165766% change) linmin: converged after 5 iterations. iteration 676: trace = 2.398538875067128 (0.000511935% change) large trace change predicted (0.00181828%) linmin: converged after 5 iterations. iteration 677: trace = 2.398495268381243 (0.00181807% change) linmin: converged after 3 iterations. iteration 678: trace = 2.398483221762058 (0.000502259% change) large trace change predicted (0.00130369%) linmin: converged after 3 iterations. iteration 679: trace = 2.398451938659577 (0.0013043% change) linmin: converged after 6 iterations. iteration 680: trace = 2.398417031338629 (0.00145542% change) linmin: converged after 5 iterations. iteration 681: trace = 2.398395109550561 (0.000914015% change) large trace change predicted (0.00298605%) linmin: converged after 8 iterations. iteration 682: trace = 2.398323449625818 (0.00298787% change) linmin: converged after 7 iterations. iteration 683: trace = 2.398292693103413 (0.00128243% change) large trace change predicted (0.00328961%) linmin: converged after 4 iterations. iteration 684: trace = 2.398213734195218 (0.00329235% change) linmin: converged after 4 iterations. iteration 685: trace = 2.398151947224186 (0.00257641% change) linmin: converged after 4 iterations. iteration 686: trace = 2.398116045969583 (0.00149705% change) linmin: converged after 4 iterations. iteration 687: trace = 2.398057448788226 (0.0024435% change) linmin: converged after 6 iterations. iteration 688: trace = 2.398025803033653 (0.00131965% change) linmin: converged after 3 iterations. iteration 689: trace = 2.397968309028343 (0.00239758% change) linmin: converged after 5 iterations. iteration 690: trace = 2.397902171888899 (0.00275809% change) linmin: converged after 4 iterations. iteration 691: trace = 2.397833284827112 (0.00287285% change) linmin: converged after 4 iterations. iteration 692: trace = 2.397760860037896 (0.00302047% change) linmin: converged after 4 iterations. iteration 693: trace = 2.397733520417618 (0.00114022% change) linmin: converged after 4 iterations. iteration 694: trace = 2.397694622929557 (0.00162227% change) linmin: converged after 5 iterations. iteration 695: trace = 2.39767835630367 (0.00067843% change) linmin: converged after 4 iterations. iteration 696: trace = 2.397661745955241 (0.00069277% change) linmin: converged after 4 iterations. iteration 697: trace = 2.397645132146407 (0.00069292% change) linmin: converged after 5 iterations. iteration 698: trace = 2.397638068288229 (0.000294617% change) large trace change predicted (0.00165669%) linmin: converged after 5 iterations. iteration 699: trace = 2.397598347211788 (0.00165669% change) resetting CG direction... linmin: converged after 7 iterations. iteration 700: trace = 2.39758239410961 (0.000665381% change) linmin: converged after 5 iterations. iteration 701: trace = 2.397560443954596 (0.000915516% change) linmin: converged after 3 iterations. iteration 702: trace = 2.397545454380746 (0.000625203% change) linmin: converged after 6 iterations. iteration 703: trace = 2.397538502714289 (0.00028995% change) large trace change predicted (0.00101637%) linmin: converged after 4 iterations. iteration 704: trace = 2.397514137251211 (0.00101628% change) linmin: converged after 5 iterations. iteration 705: trace = 2.397487682420538 (0.00110343% change) linmin: converged after 5 iterations. iteration 706: trace = 2.397462487788958 (0.00105088% change) large trace change predicted (0.00331332%) linmin: converged after 6 iterations. iteration 707: trace = 2.397383085367669 (0.00331199% change) linmin: converged after 4 iterations. iteration 708: trace = 2.397357524252455 (0.00106621% change) large trace change predicted (0.0028161%) linmin: converged after 3 iterations. iteration 709: trace = 2.397290013001008 (0.00281611% change) linmin: converged after 4 iterations. iteration 710: trace = 2.397218757445285 (0.00297238% change) linmin: converged after 4 iterations. iteration 711: trace = 2.397199565464883 (0.000800597% change) large trace change predicted (0.00324724%) linmin: converged after 3 iterations. iteration 712: trace = 2.397121751801342 (0.00324608% change) linmin: converged after 6 iterations. iteration 713: trace = 2.397095605362654 (0.00109075% change) large trace change predicted (0.00230687%) linmin: converged after 5 iterations. iteration 714: trace = 2.397040332562358 (0.00230585% change) linmin: converged after 3 iterations. iteration 715: trace = 2.396987519520442 (0.00220328% change) linmin: converged after 4 iterations. iteration 716: trace = 2.396960538556553 (0.00112563% change) linmin: converged after 8 iterations. iteration 717: trace = 2.396910801167665 (0.00207504% change) linmin: converged after 5 iterations. iteration 718: trace = 2.396865981324696 (0.00186992% change) linmin: converged after 5 iterations. iteration 719: trace = 2.396844753180099 (0.000885666% change) linmin: converged after 3 iterations. iteration 720: trace = 2.396807971416041 (0.0015346% change) linmin: converged after 4 iterations. iteration 721: trace = 2.396794629674081 (0.000556648% change) linmin: converged after 5 iterations. iteration 722: trace = 2.396769430129229 (0.00105139% change) linmin: converged after 6 iterations. iteration 723: trace = 2.396746799016373 (0.000944238% change) linmin: converged after 5 iterations. iteration 724: trace = 2.396737231229561 (0.0003992% change) large trace change predicted (0.00148121%) linmin: converged after 3 iterations. iteration 725: trace = 2.396701734334349 (0.00148106% change) linmin: converged after 4 iterations. iteration 726: trace = 2.396684811167906 (0.000706105% change) large trace change predicted (0.00257885%) linmin: converged after 3 iterations. iteration 727: trace = 2.396623013363413 (0.0025785% change) linmin: converged after 5 iterations. iteration 728: trace = 2.396562471766473 (0.00252615% change) linmin: converged after 4 iterations. iteration 729: trace = 2.396485807362582 (0.00319898% change) linmin: converged after 4 iterations. iteration 730: trace = 2.396398629990256 (0.00363778% change) linmin: converged after 5 iterations. iteration 731: trace = 2.396364140161586 (0.00143925% change) large trace change predicted (0.00343283%) linmin: converged after 4 iterations. iteration 732: trace = 2.396281906195748 (0.00343167% change) linmin: converged after 5 iterations. iteration 733: trace = 2.396257498895117 (0.00101855% change) large trace change predicted (0.00238498%) linmin: converged after 5 iterations. iteration 734: trace = 2.396200374211696 (0.00238394% change) linmin: converged after 3 iterations. iteration 735: trace = 2.396187510478526 (0.00053684% change) large trace change predicted (0.0010834%) linmin: converged after 4 iterations. iteration 736: trace = 2.396161559473703 (0.00108302% change) linmin: converged after 6 iterations. iteration 737: trace = 2.3961481230029 (0.000560751% change) linmin: converged after 9 iterations. iteration 738: trace = 2.396141443781758 (0.000278749% change) large trace change predicted (0.000670855%) linmin: converged after 5 iterations. iteration 739: trace = 2.396125373143394 (0.00067069% change) linmin: converged after 5 iterations. iteration 740: trace = 2.396120352721215 (0.000209523% change) large trace change predicted (0.000748139%) linmin: converged after 10 iterations. iteration 741: trace = 2.396102427987452 (0.000748076% change) linmin: converged after 8 iterations. iteration 742: trace = 2.396097685709103 (0.000197917% change) linmin: converged after 4 iterations. iteration 743: trace = 2.39608858187457 (0.000379945% change) linmin: converged after 4 iterations. iteration 744: trace = 2.396080477902917 (0.000338217% change) linmin: converged after 5 iterations. iteration 745: trace = 2.396075994320579 (0.000187122% change) large trace change predicted (0.000530055%) linmin: converged after 7 iterations. iteration 746: trace = 2.396063294660862 (0.00053002% change) linmin: converged after 5 iterations. iteration 747: trace = 2.39605513662636 (0.000340477% change) large trace change predicted (0.00128155%) linmin: converged after 4 iterations. iteration 748: trace = 2.39602443907263 (0.00128118% change) linmin: converged after 8 iterations. iteration 749: trace = 2.396006591380845 (0.00074489% change) large trace change predicted (0.00186507%) linmin: converged after 5 iterations. iteration 750: trace = 2.395961906998437 (0.00186497% change) linmin: converged after 8 iterations. iteration 751: trace = 2.395927109489925 (0.00145235% change) linmin: converged after 7 iterations. iteration 752: trace = 2.395890786887048 (0.00151603% change) linmin: converged after 8 iterations. iteration 753: trace = 2.395866619214188 (0.00100872% change) linmin: converged after 4 iterations. iteration 754: trace = 2.395835828704396 (0.00128516% change) linmin: converged after 7 iterations. iteration 755: trace = 2.395818046340084 (0.000742222% change) linmin: converged after 6 iterations. iteration 756: trace = 2.395795347878103 (0.000947425% change) linmin: converged after 6 iterations. iteration 757: trace = 2.395778228352431 (0.000714568% change) linmin: converged after 3 iterations. iteration 758: trace = 2.395769799862759 (0.000351807% change) linmin: converged after 7 iterations. iteration 759: trace = 2.395759081764716 (0.000447377% change) linmin: converged after 3 iterations. iteration 760: trace = 2.39575280926562 (0.000261817% change) linmin: converged after 5 iterations. iteration 761: trace = 2.39574707387441 (0.000239399% change) linmin: converged after 5 iterations. iteration 762: trace = 2.395737719989556 (0.000390438% change) linmin: converged after 5 iterations. iteration 763: trace = 2.395733826987011 (0.000162497% change) large trace change predicted (0.000701611%) linmin: converged after 8 iterations. iteration 764: trace = 2.395717020918321 (0.000701502% change) linmin: converged after 3 iterations. iteration 765: trace = 2.395713145706522 (0.000161756% change) large trace change predicted (0.000956725%) linmin: converged after 5 iterations. iteration 766: trace = 2.395690221195577 (0.000956902% change) linmin: converged after 8 iterations. iteration 767: trace = 2.395682105396979 (0.000338767% change) large trace change predicted (0.000729102%) linmin: converged after 4 iterations. iteration 768: trace = 2.395664636191873 (0.000729198% change) linmin: converged after 5 iterations. iteration 769: trace = 2.395652041868552 (0.000525715% change) resetting CG direction... linmin: converged after 5 iterations. iteration 770: trace = 2.395642452366607 (0.000400289% change) linmin: converged after 9 iterations. iteration 771: trace = 2.395629260225946 (0.000550674% change) linmin: converged after 3 iterations. iteration 772: trace = 2.395618048162598 (0.000468023% change) linmin: converged after 5 iterations. iteration 773: trace = 2.395610174871793 (0.000328654% change) linmin: converged after 3 iterations. iteration 774: trace = 2.395596566662333 (0.000568049% change) linmin: converged after 6 iterations. iteration 775: trace = 2.395590051652562 (0.000271958% change) large trace change predicted (0.000806528%) linmin: converged after 6 iterations. iteration 776: trace = 2.395570730932862 (0.000806515% change) linmin: converged after 5 iterations. iteration 777: trace = 2.395565290115732 (0.00022712% change) large trace change predicted (0.000498756%) linmin: converged after 4 iterations. iteration 778: trace = 2.395553340709094 (0.000498815% change) linmin: converged after 4 iterations. iteration 779: trace = 2.39554568390412 (0.000319626% change) linmin: converged after 17 iterations. iteration 780: trace = 2.395541431298903 (0.000177522% change) large trace change predicted (0.00049215%) linmin: converged after 4 iterations. iteration 781: trace = 2.395529642298953 (0.000492124% change) linmin: converged after 4 iterations. iteration 782: trace = 2.395525068614838 (0.000190926% change) large trace change predicted (0.00079864%) linmin: converged after 3 iterations. iteration 783: trace = 2.395505939577015 (0.000798535% change) linmin: converged after 6 iterations. iteration 784: trace = 2.395495457574481 (0.00043757% change) large trace change predicted (0.00153707%) linmin: converged after 4 iterations. iteration 785: trace = 2.395458640239006 (0.00153695% change) linmin: converged after 5 iterations. iteration 786: trace = 2.395426780773616 (0.00133% change) linmin: converged after 6 iterations. iteration 787: trace = 2.395395614327688 (0.00130109% change) linmin: converged after 4 iterations. iteration 788: trace = 2.395347753316066 (0.00199806% change) linmin: converged after 15 iterations. iteration 789: trace = 2.395336200484313 (0.000482304% change) large trace change predicted (0.00110779%) linmin: converged after 5 iterations. iteration 790: trace = 2.395309659115983 (0.00110805% change) linmin: converged after 5 iterations. iteration 791: trace = 2.395305541536678 (0.000171902% change) large trace change predicted (0.000426853%) linmin: converged after 4 iterations. iteration 792: trace = 2.395295317112858 (0.000426854% change) linmin: converged after 6 iterations. iteration 793: trace = 2.395291607935198 (0.000154853% change) linmin: converged after 4 iterations. iteration 794: trace = 2.395284881369466 (0.000280825% change) linmin: converged after 3 iterations. iteration 795: trace = 2.395282314882131 (0.000107148% change) large trace change predicted (0.000363795%) linmin: converged after 5 iterations. iteration 796: trace = 2.395273600083791 (0.000363832% change) linmin: converged after 5 iterations. iteration 797: trace = 2.395271223154673 (9.92342e-05% change) large trace change predicted (0.000340884%) linmin: converged after 2 iterations. iteration 798: trace = 2.39526305787462 (0.000340892% change) linmin: converged after 5 iterations. iteration 799: trace = 2.395260394965665 (0.000111174% change) large trace change predicted (0.000431369%) linmin: converged after 6 iterations. iteration 800: trace = 2.395250061116095 (0.00043143% change) linmin: converged after 4 iterations. iteration 801: trace = 2.395245413649938 (0.000194029% change) large trace change predicted (0.000569044%) linmin: converged after 4 iterations. iteration 802: trace = 2.395231784161364 (0.000569024% change) linmin: converged after 3 iterations. iteration 803: trace = 2.395223581441534 (0.000342461% change) linmin: converged after 5 iterations. iteration 804: trace = 2.395207934722523 (0.000653249% change) linmin: converged after 3 iterations. iteration 805: trace = 2.395196120649871 (0.000493239% change) linmin: converged after 5 iterations. iteration 806: trace = 2.395178716878824 (0.000726614% change) linmin: converged after 5 iterations. iteration 807: trace = 2.395148199747699 (0.00127411% change) linmin: converged after 5 iterations. iteration 808: trace = 2.395137434610638 (0.000449457% change) large trace change predicted (0.00167401%) linmin: converged after 4 iterations. iteration 809: trace = 2.395097334971058 (0.00167422% change) linmin: converged after 6 iterations. iteration 810: trace = 2.395079604739446 (0.000740275% change) large trace change predicted (0.00207408%) linmin: converged after 4 iterations. iteration 811: trace = 2.395029918711579 (0.00207453% change) linmin: converged after 6 iterations. iteration 812: trace = 2.395008690784144 (0.000886336% change) large trace change predicted (0.00240346%) linmin: converged after 7 iterations. iteration 813: trace = 2.394951105525065 (0.00240442% change) linmin: converged after 5 iterations. iteration 814: trace = 2.394938116298908 (0.00054236% change) large trace change predicted (0.00136867%) linmin: converged after 13 iterations. iteration 815: trace = 2.394905336611201 (0.00136872% change) linmin: converged after 6 iterations. iteration 816: trace = 2.394892346720609 (0.000542398% change) linmin: converged after 4 iterations. iteration 817: trace = 2.394879298712001 (0.000544828% change) linmin: converged after 7 iterations. iteration 818: trace = 2.394869403121697 (0.000413199% change) linmin: converged after 3 iterations. iteration 819: trace = 2.394861454864876 (0.000331887% change) linmin: converged after 5 iterations. iteration 820: trace = 2.394853691918189 (0.000324151% change) linmin: converged after 4 iterations. iteration 821: trace = 2.394847429933353 (0.000261477% change) linmin: converged after 7 iterations. iteration 822: trace = 2.394837501342926 (0.000414582% change) linmin: converged after 5 iterations. iteration 823: trace = 2.39483302852368 (0.000186769% change) large trace change predicted (0.000876756%) linmin: converged after 4 iterations. iteration 824: trace = 2.394812023301695 (0.00087711% change) linmin: converged after 6 iterations. iteration 825: trace = 2.394804586080783 (0.000310556% change) large trace change predicted (0.00093003%) linmin: converged after 3 iterations. iteration 826: trace = 2.394782307915482 (0.000930275% change) linmin: converged after 5 iterations. iteration 827: trace = 2.394769386045013 (0.000539586% change) large trace change predicted (0.00117236%) linmin: converged after 6 iterations. iteration 828: trace = 2.394741300849612 (0.00117278% change) linmin: converged after 5 iterations. iteration 829: trace = 2.394720862647654 (0.000853465% change) linmin: converged after 6 iterations. iteration 830: trace = 2.394704186977982 (0.000696354% change) linmin: converged after 4 iterations. iteration 831: trace = 2.394682849252985 (0.000891042% change) linmin: converged after 6 iterations. iteration 832: trace = 2.39467402733472 (0.000368397% change) large trace change predicted (0.00107963%) linmin: converged after 3 iterations. iteration 833: trace = 2.394648178904071 (0.00107942% change) linmin: converged after 6 iterations. iteration 834: trace = 2.394641160982183 (0.000293067% change) large trace change predicted (0.000861246%) linmin: converged after 6 iterations. iteration 835: trace = 2.394620539422801 (0.000861158% change) linmin: converged after 6 iterations. iteration 836: trace = 2.394608537546642 (0.000501203% change) linmin: converged after 4 iterations. iteration 837: trace = 2.394588612079556 (0.000832101% change) linmin: converged after 3 iterations. iteration 838: trace = 2.394574852354423 (0.000574619% change) linmin: converged after 5 iterations. iteration 839: trace = 2.39455216210991 (0.000947573% change) resetting CG direction... linmin: converged after 5 iterations. iteration 840: trace = 2.394540823701043 (0.00047351% change) linmin: converged after 4 iterations. iteration 841: trace = 2.394527776114812 (0.00054489% change) linmin: converged after 5 iterations. iteration 842: trace = 2.394523660121363 (0.000171892% change) linmin: converged after 6 iterations. iteration 843: trace = 2.394518063110889 (0.000233742% change) linmin: converged after 2 iterations. iteration 844: trace = 2.394509803044171 (0.000344958% change) linmin: converged after 5 iterations. iteration 845: trace = 2.394507760696138 (8.5293e-05% change) large trace change predicted (0.000436312%) linmin: converged after 4 iterations. iteration 846: trace = 2.394497313427193 (0.000436302% change) linmin: converged after 4 iterations. iteration 847: trace = 2.394490362233961 (0.000290299% change) linmin: converged after 6 iterations. iteration 848: trace = 2.394477476693619 (0.000538134% change) linmin: converged after 5 iterations. iteration 849: trace = 2.394464689887249 (0.000534014% change) linmin: converged after 5 iterations. iteration 850: trace = 2.394458144136741 (0.00027337% change) large trace change predicted (0.000877888%) linmin: converged after 5 iterations. iteration 851: trace = 2.394437132506152 (0.000877515% change) linmin: converged after 5 iterations. iteration 852: trace = 2.394410973238042 (0.00109251% change) linmin: converged after 5 iterations. iteration 853: trace = 2.394402272635757 (0.000363372% change) large trace change predicted (0.00121355%) linmin: converged after 4 iterations. iteration 854: trace = 2.394373229641932 (0.00121296% change) linmin: converged after 7 iterations. iteration 855: trace = 2.394354067564101 (0.000800299% change) linmin: converged after 8 iterations. iteration 856: trace = 2.39433372431924 (0.000849638% change) linmin: converged after 6 iterations. iteration 857: trace = 2.394297166381279 (0.00152686% change) linmin: converged after 5 iterations. iteration 858: trace = 2.394285767544338 (0.000476084% change) large trace change predicted (0.00159333%) linmin: converged after 4 iterations. iteration 859: trace = 2.394247622389388 (0.00159319% change) linmin: converged after 4 iterations. iteration 860: trace = 2.394233346506626 (0.000596259% change) linmin: converged after 6 iterations. iteration 861: trace = 2.394207819726012 (0.00106618% change) linmin: converged after 5 iterations. iteration 862: trace = 2.394195519026676 (0.00051377% change) linmin: converged after 5 iterations. iteration 863: trace = 2.394188993596345 (0.000272552% change) linmin: converged after 5 iterations. iteration 864: trace = 2.394182356903114 (0.0002772% change) linmin: converged after 5 iterations. iteration 865: trace = 2.394179333180336 (0.000126295% change) large trace change predicted (0.000328299%) linmin: converged after 5 iterations. iteration 866: trace = 2.394171473976929 (0.000328263% change) linmin: converged after 5 iterations. iteration 867: trace = 2.394161450734507 (0.000418653% change) linmin: converged after 4 iterations. iteration 868: trace = 2.394155805717717 (0.000235783% change) large trace change predicted (0.000528311%) linmin: converged after 5 iterations. iteration 869: trace = 2.39414315843689 (0.000528258% change) linmin: converged after 7 iterations. iteration 870: trace = 2.394130787986597 (0.000516698% change) linmin: converged after 6 iterations. iteration 871: trace = 2.394120900976059 (0.00041297% change) large trace change predicted (0.00112671%) linmin: converged after 4 iterations. iteration 872: trace = 2.39409393349801 (0.00112641% change) linmin: converged after 8 iterations. iteration 873: trace = 2.394087939782523 (0.000250355% change) large trace change predicted (0.000736548%) linmin: converged after 5 iterations. iteration 874: trace = 2.394070307241102 (0.000736506% change) linmin: converged after 5 iterations. iteration 875: trace = 2.394053220487694 (0.000713714% change) linmin: converged after 5 iterations. iteration 876: trace = 2.394047530589803 (0.000237668% change) linmin: converged after 7 iterations. iteration 877: trace = 2.394037289050395 (0.000427793% change) linmin: converged after 12 iterations. iteration 878: trace = 2.394028799022859 (0.000354633% change) linmin: converged after 17 iterations. iteration 879: trace = 2.394022136076078 (0.000278316% change) linmin: converged after 5 iterations. iteration 880: trace = 2.394012906652803 (0.00038552% change) linmin: converged after 14 iterations. iteration 881: trace = 2.394011176554337 (7.22677e-05% change) large trace change predicted (0.000190848%) linmin: converged after 5 iterations. iteration 882: trace = 2.394006607691629 (0.000190846% change) linmin: converged after 8 iterations. iteration 883: trace = 2.394004935452463 (6.98511e-05% change) linmin: converged after 6 iterations. iteration 884: trace = 2.394003356094164 (6.59714e-05% change) large trace change predicted (0.000162004%) linmin: converged after 3 iterations. iteration 885: trace = 2.39399947773438 (0.000162003% change) linmin: converged after 9 iterations. iteration 886: trace = 2.393997603098247 (7.83057e-05% change) large trace change predicted (0.000254067%) linmin: converged after 6 iterations. iteration 887: trace = 2.393991520849144 (0.000254063% change) linmin: converged after 6 iterations. iteration 888: trace = 2.393982081480052 (0.000394295% change) linmin: converged after 5 iterations. iteration 889: trace = 2.393976576528157 (0.00022995% change) large trace change predicted (0.000726596%) linmin: converged after 4 iterations. iteration 890: trace = 2.393959186647659 (0.000726404% change) linmin: converged after 5 iterations. iteration 891: trace = 2.393946679171171 (0.000522461% change) linmin: converged after 7 iterations. iteration 892: trace = 2.393929882918499 (0.000701616% change) linmin: converged after 5 iterations. iteration 893: trace = 2.393910467690303 (0.000811022% change) linmin: converged after 5 iterations. iteration 894: trace = 2.393901562763373 (0.000371983% change) linmin: converged after 8 iterations. iteration 895: trace = 2.393892916922695 (0.000361162% change) linmin: converged after 5 iterations. iteration 896: trace = 2.39389096458894 (8.15548e-05% change) large trace change predicted (0.000299648%) linmin: converged after 6 iterations. iteration 897: trace = 2.39388379195875 (0.000299623% change) linmin: converged after 3 iterations. iteration 898: trace = 2.393878750255292 (0.000210608% change) linmin: converged after 7 iterations. iteration 899: trace = 2.393875319777359 (0.000143302% change) linmin: converged after 6 iterations. iteration 900: trace = 2.39386880324487 (0.000272217% change) linmin: converged after 2 iterations. iteration 901: trace = 2.393865889782401 (0.000121705% change) large trace change predicted (0.000474624%) linmin: converged after 5 iterations. iteration 902: trace = 2.393854529225294 (0.000474571% change) linmin: converged after 6 iterations. iteration 903: trace = 2.393848780120372 (0.000240161% change) linmin: converged after 5 iterations. iteration 904: trace = 2.393843160881334 (0.000234737% change) linmin: converged after 5 iterations. iteration 905: trace = 2.393835197853341 (0.000332647% change) linmin: converged after 11 iterations. iteration 906: trace = 2.393830256097682 (0.000206437% change) linmin: converged after 5 iterations. iteration 907: trace = 2.393823740035774 (0.000272203% change) large trace change predicted (0.00131531%) linmin: converged after 3 iterations. iteration 908: trace = 2.393792263317471 (0.00131492% change) linmin: converged after 5 iterations. iteration 909: trace = 2.39377652602875 (0.000657423% change) resetting CG direction... linmin: converged after 7 iterations. iteration 910: trace = 2.39376330009675 (0.000552515% change) linmin: converged after 4 iterations. iteration 911: trace = 2.39374238845994 (0.000873592% change) linmin: converged after 4 iterations. iteration 912: trace = 2.393735033002682 (0.000307279% change) linmin: converged after 7 iterations. iteration 913: trace = 2.39372912334381 (0.000246881% change) linmin: converged after 4 iterations. iteration 914: trace = 2.393720884439127 (0.000344188% change) linmin: converged after 5 iterations. iteration 915: trace = 2.393716308546411 (0.000191163% change) linmin: converged after 10 iterations. iteration 916: trace = 2.39371181097369 (0.000187891% change) linmin: converged after 5 iterations. iteration 917: trace = 2.393704834491148 (0.000291451% change) linmin: converged after 6 iterations. iteration 918: trace = 2.393702382984916 (0.000102415% change) large trace change predicted (0.000250766%) linmin: converged after 4 iterations. iteration 919: trace = 2.393696380507142 (0.000250762% change) linmin: converged after 4 iterations. iteration 920: trace = 2.393693777334366 (0.000108751% change) linmin: converged after 3 iterations. iteration 921: trace = 2.39369060811919 (0.000132399% change) linmin: converged after 2 iterations. iteration 922: trace = 2.393685895928552 (0.000196859% change) linmin: converged after 5 iterations. iteration 923: trace = 2.393683127047675 (0.000115674% change) large trace change predicted (0.000244996%) linmin: converged after 5 iterations. iteration 924: trace = 2.393677261862061 (0.000245028% change) linmin: converged after 5 iterations. iteration 925: trace = 2.393669577398056 (0.000321032% change) linmin: converged after 8 iterations. iteration 926: trace = 2.393664634722948 (0.00020649% change) linmin: converged after 4 iterations. iteration 927: trace = 2.393656868232361 (0.000324461% change) linmin: converged after 5 iterations. iteration 928: trace = 2.393649260106471 (0.000317846% change) linmin: converged after 5 iterations. iteration 929: trace = 2.393637913421805 (0.000474034% change) linmin: converged after 6 iterations. iteration 930: trace = 2.393627845051446 (0.000420631% change) linmin: converged after 6 iterations. iteration 931: trace = 2.393623119731646 (0.000197413% change) linmin: converged after 11 iterations. iteration 932: trace = 2.393616613529423 (0.000271814% change) linmin: converged after 3 iterations. iteration 933: trace = 2.393614699545965 (7.9962e-05% change) linmin: converged after 2 iterations. iteration 934: trace = 2.393612284235905 (0.000100906% change) linmin: converged after 7 iterations. iteration 935: trace = 2.393609583419692 (0.000112834% change) linmin: converged after 10 iterations. iteration 936: trace = 2.393608895320764 (2.87473e-05% change) large trace change predicted (7.45291e-05%) linmin: converged after 5 iterations. iteration 937: trace = 2.393607111307217 (7.45324e-05% change) linmin: converged after 4 iterations. iteration 938: trace = 2.393606501000698 (2.54974e-05% change) large trace change predicted (0.00011861%) linmin: converged after 6 iterations. iteration 939: trace = 2.393603661892658 (0.000118612% change) linmin: converged after 6 iterations. iteration 940: trace = 2.393598716417863 (0.000206612% change) linmin: converged after 5 iterations. iteration 941: trace = 2.393596074406716 (0.000110378% change) large trace change predicted (0.000302045%) linmin: converged after 3 iterations. iteration 942: trace = 2.393588844334078 (0.000302059% change) linmin: converged after 4 iterations. iteration 943: trace = 2.393579358283505 (0.000396312% change) linmin: converged after 6 iterations. iteration 944: trace = 2.393575822360091 (0.000147725% change) large trace change predicted (0.000317736%) linmin: converged after 6 iterations. iteration 945: trace = 2.393568216785492 (0.00031775% change) linmin: converged after 6 iterations. iteration 946: trace = 2.393562163114726 (0.000252914% change) linmin: converged after 6 iterations. iteration 947: trace = 2.393555831024061 (0.000264547% change) linmin: converged after 4 iterations. iteration 948: trace = 2.393545423839673 (0.000434801% change) linmin: converged after 6 iterations. iteration 949: trace = 2.39354150132934 (0.000163879% change) large trace change predicted (0.000476617%) linmin: converged after 11 iterations. iteration 950: trace = 2.393530092315141 (0.000476659% change) linmin: converged after 2 iterations. iteration 951: trace = 2.393525465184724 (0.000193318% change) linmin: converged after 5 iterations. iteration 952: trace = 2.393521452365795 (0.000167653% change) linmin: converged after 8 iterations. iteration 953: trace = 2.393517957767596 (0.000146002% change) linmin: converged after 5 iterations. iteration 954: trace = 2.393516584892442 (5.73581e-05% change) large trace change predicted (0.000123131%) linmin: converged after 4 iterations. iteration 955: trace = 2.393513637809922 (0.000123128% change) linmin: converged after 10 iterations. iteration 956: trace = 2.393510506757236 (0.000130814% change) linmin: converged after 5 iterations. iteration 957: trace = 2.393507640157566 (0.000119766% change) large trace change predicted (0.000313861%) linmin: converged after 11 iterations. iteration 958: trace = 2.393500127861745 (0.000313862% change) linmin: converged after 5 iterations. iteration 959: trace = 2.393494788156733 (0.000223092% change) linmin: converged after 5 iterations. iteration 960: trace = 2.39348434947494 (0.000436128% change) linmin: converged after 6 iterations. iteration 961: trace = 2.393473336170258 (0.000460138% change) linmin: converged after 5 iterations. iteration 962: trace = 2.393466176867826 (0.000299118% change) linmin: converged after 4 iterations. iteration 963: trace = 2.393452298072569 (0.000579863% change) linmin: converged after 3 iterations. iteration 964: trace = 2.393448656865348 (0.000152132% change) large trace change predicted (0.000374091%) linmin: converged after 3 iterations. iteration 965: trace = 2.393439701805333 (0.00037415% change) linmin: converged after 6 iterations. iteration 966: trace = 2.393436458255365 (0.000135518% change) large trace change predicted (0.000316792%) linmin: converged after 4 iterations. iteration 967: trace = 2.393428876045128 (0.000316792% change) linmin: converged after 5 iterations. iteration 968: trace = 2.393426380859422 (0.000104252% change) large trace change predicted (0.000244802%) linmin: converged after 5 iterations. iteration 969: trace = 2.393420520538728 (0.000244851% change) linmin: converged after 5 iterations. iteration 970: trace = 2.393418851824411 (6.97209e-05% change) large trace change predicted (0.00019134%) linmin: converged after 3 iterations. iteration 971: trace = 2.393414271876066 (0.000191356% change) linmin: converged after 7 iterations. iteration 972: trace = 2.393413075477578 (4.99871e-05% change) large trace change predicted (0.00015086%) linmin: converged after 4 iterations. iteration 973: trace = 2.393409464217927 (0.000150883% change) linmin: converged after 6 iterations. iteration 974: trace = 2.393408134152997 (5.5572e-05% change) large trace change predicted (0.000120053%) linmin: converged after 5 iterations. iteration 975: trace = 2.393405260855118 (0.000120051% change) linmin: converged after 9 iterations. iteration 976: trace = 2.393404383141242 (3.66722e-05% change) linmin: converged after 5 iterations. iteration 977: trace = 2.393402666045481 (7.17428e-05% change) linmin: converged after 5 iterations. iteration 978: trace = 2.393401975714696 (2.88431e-05% change) large trace change predicted (0.000103563%) linmin: converged after 4 iterations. iteration 979: trace = 2.393399497148036 (0.000103558% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.393398857745352 (2.67153e-05% change) linmin: converged after 3 iterations. iteration 981: trace = 2.39339801257345 (3.53126e-05% change) linmin: converged after 4 iterations. iteration 982: trace = 2.393396777174976 (5.16169e-05% change) linmin: converged after 13 iterations. iteration 983: trace = 2.393396046469055 (3.05301e-05% change) large trace change predicted (0.000135784%) linmin: converged after 7 iterations. iteration 984: trace = 2.393392796856243 (0.000135774% change) linmin: converged after 4 iterations. iteration 985: trace = 2.3933909388881 (7.76291e-05% change) linmin: converged after 8 iterations. iteration 986: trace = 2.393388231354699 (0.000113125% change) linmin: converged after 6 iterations. iteration 987: trace = 2.393385084528441 (0.00013148% change) linmin: converged after 7 iterations. iteration 988: trace = 2.393383375292374 (7.1415e-05% change) large trace change predicted (0.000162227%) linmin: converged after 6 iterations. iteration 989: trace = 2.39337949267091 (0.000162223% change) linmin: converged after 6 iterations. iteration 990: trace = 2.393377370493137 (8.86687e-05% change) large trace change predicted (0.0002045%) linmin: converged after 4 iterations. iteration 991: trace = 2.393372476433091 (0.000204484% change) linmin: converged after 5 iterations. iteration 992: trace = 2.393366010571389 (0.000270157% change) linmin: converged after 7 iterations. iteration 993: trace = 2.393360582141217 (0.000226812% change) linmin: converged after 5 iterations. iteration 994: trace = 2.393353007150244 (0.000316501% change) linmin: converged after 4 iterations. iteration 995: trace = 2.393350017475156 (0.000124916% change) large trace change predicted (0.00026056%) linmin: converged after 5 iterations. iteration 996: trace = 2.39334378203401 (0.000260532% change) linmin: converged after 6 iterations. iteration 997: trace = 2.393335774007732 (0.000334596% change) linmin: converged after 6 iterations. iteration 998: trace = 2.393331601744257 (0.000174329% change) large trace change predicted (0.000372919%) linmin: converged after 13 iterations. iteration 999: trace = 2.393322677307343 (0.000372888% change) linmin: converged after 13 iterations. iteration 1000: trace = 2.393321272804266 (5.86843e-05% change) linmin: converged after 8 iterations. iteration 1001: trace = 2.393318598405276 (0.000111744% change) linmin: converged after 5 iterations. iteration 1002: trace = 2.393316904843696 (7.07621e-05% change) linmin: converged after 5 iterations. iteration 1003: trace = 2.393316064873754 (3.50965e-05% change) large trace change predicted (9.3938e-05%) linmin: converged after 4 iterations. iteration 1004: trace = 2.393313816626083 (9.39386e-05% change) linmin: converged after 11 iterations. iteration 1005: trace = 2.393312997241325 (3.42364e-05% change) large trace change predicted (0.000149882%) linmin: converged after 6 iterations. iteration 1006: trace = 2.39330941048938 (0.000149866% change) linmin: converged after 5 iterations. iteration 1007: trace = 2.393306895060383 (0.000105103% change) linmin: converged after 5 iterations. iteration 1008: trace = 2.393304600723536 (9.58648e-05% change) large trace change predicted (0.000192641%) linmin: converged after 5 iterations. iteration 1009: trace = 2.393299991031353 (0.000192608% change) linmin: converged after 5 iterations. iteration 1010: trace = 2.393296409280905 (0.000149658% change) linmin: converged after 9 iterations. iteration 1011: trace = 2.393290678965539 (0.000239432% change) linmin: converged after 5 iterations. iteration 1012: trace = 2.393286681689123 (0.00016702% change) linmin: converged after 6 iterations. iteration 1013: trace = 2.393284644429595 (8.5124e-05% change) large trace change predicted (0.000189203%) linmin: converged after 6 iterations. iteration 1014: trace = 2.39328011637136 (0.000189199% change) linmin: converged after 6 iterations. iteration 1015: trace = 2.393278287913598 (7.63997e-05% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.393276001261386 (9.55448e-05% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.393272876472464 (0.000130565% change) linmin: converged after 4 iterations. iteration 1018: trace = 2.393272160052428 (2.99347e-05% change) large trace change predicted (9.79606e-05%) linmin: converged after 3 iterations. iteration 1019: trace = 2.393269815718094 (9.79552e-05% change) linmin: converged after 7 iterations. iteration 1020: trace = 2.393269067031305 (3.1283e-05% change) linmin: converged after 7 iterations. iteration 1021: trace = 2.393268543077747 (2.18928e-05% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.393267828019735 (2.98779e-05% change) linmin: converged after 5 iterations. iteration 1023: trace = 2.393267385051577 (1.85089e-05% change) linmin: converged after 4 iterations. iteration 1024: trace = 2.393266529555258 (3.5746e-05% change) linmin: converged after 3 iterations. iteration 1025: trace = 2.39326525341969 (5.33219e-05% change) linmin: converged after 15 iterations. iteration 1026: trace = 2.39326441430694 (3.50614e-05% change) large trace change predicted (0.000101647%) linmin: converged after 5 iterations. iteration 1027: trace = 2.393261981570269 (0.000101649% change) linmin: converged after 5 iterations. iteration 1028: trace = 2.393260515336318 (6.12651e-05% change) linmin: converged after 7 iterations. iteration 1029: trace = 2.393257998417836 (0.000105167% change) large trace change predicted (0.000247538%) linmin: converged after 8 iterations. iteration 1030: trace = 2.393252074643331 (0.00024752% change) linmin: converged after 8 iterations. iteration 1031: trace = 2.393250024021437 (8.56835e-05% change) large trace change predicted (0.000206121%) linmin: converged after 4 iterations. iteration 1032: trace = 2.393245091918589 (0.000206084% change) linmin: converged after 6 iterations. iteration 1033: trace = 2.393243958621495 (4.7354e-05% change) linmin: converged after 3 iterations. iteration 1034: trace = 2.393241934798795 (8.4564e-05% change) linmin: converged after 9 iterations. iteration 1035: trace = 2.393240537244809 (5.83959e-05% change) linmin: converged after 9 iterations. iteration 1036: trace = 2.39324002778815 (2.12873e-05% change) large trace change predicted (5.57942e-05%) linmin: converged after 9 iterations. iteration 1037: trace = 2.393238692509214 (5.57938e-05% change) linmin: converged after 6 iterations. iteration 1038: trace = 2.39323802059479 (2.80755e-05% change) large trace change predicted (6.07335e-05%) linmin: converged after 8 iterations. iteration 1039: trace = 2.393236567069471 (6.07347e-05% change) linmin: converged after 5 iterations. iteration 1040: trace = 2.393235119480474 (6.04867e-05% change) linmin: converged after 4 iterations. iteration 1041: trace = 2.393233817398129 (5.44068e-05% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.393232071761479 (7.29405e-05% change) linmin: converged after 5 iterations. iteration 1043: trace = 2.39323128945811 (3.26882e-05% change) large trace change predicted (8.55472e-05%) linmin: converged after 4 iterations. iteration 1044: trace = 2.393229242214166 (8.55431e-05% change) linmin: converged after 6 iterations. iteration 1045: trace = 2.393227651783551 (6.64554e-05% change) linmin: converged after 7 iterations. iteration 1046: trace = 2.393225663833507 (8.30657e-05% change) linmin: converged after 6 iterations. iteration 1047: trace = 2.393222802787842 (0.000119548% change) linmin: converged after 8 iterations. iteration 1048: trace = 2.393220864444548 (8.0993e-05% change) large trace change predicted (0.000271507%) linmin: converged after 4 iterations. iteration 1049: trace = 2.393214366687728 (0.000271507% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1050: trace = 2.393210290441174 (0.000170325% change) linmin: converged after 5 iterations. iteration 1051: trace = 2.393207576173126 (0.000113415% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.393204382090806 (0.000133465% change) linmin: converged after 6 iterations. iteration 1053: trace = 2.393203141646405 (5.1832e-05% change) linmin: converged after 4 iterations. iteration 1054: trace = 2.393201585559278 (6.50211e-05% change) linmin: converged after 5 iterations. iteration 1055: trace = 2.393199555406358 (8.483e-05% change) linmin: converged after 7 iterations. iteration 1056: trace = 2.393199048834635 (2.11671e-05% change) large trace change predicted (6.37928e-05%) linmin: converged after 4 iterations. iteration 1057: trace = 2.393197522092076 (6.37951e-05% change) linmin: converged after 6 iterations. iteration 1058: trace = 2.393196541303609 (4.09824e-05% change) linmin: converged after 12 iterations. iteration 1059: trace = 2.393195711374781 (3.46787e-05% change) linmin: converged after 7 iterations. iteration 1060: trace = 2.39319453789427 (4.90341e-05% change) linmin: converged after 5 iterations. iteration 1061: trace = 2.393194082956864 (1.90096e-05% change) large trace change predicted (4.26953e-05%) linmin: converged after 5 iterations. iteration 1062: trace = 2.393193061154764 (4.26962e-05% change) linmin: converged after 13 iterations. iteration 1063: trace = 2.393192067371938 (4.15254e-05% change) linmin: converged after 5 iterations. iteration 1064: trace = 2.393191428683271 (2.66877e-05% change) large trace change predicted (7.5277e-05%) linmin: converged after 5 iterations. iteration 1065: trace = 2.393189627003934 (7.52836e-05% change) linmin: converged after 5 iterations. iteration 1066: trace = 2.393188640493396 (4.12216e-05% change) linmin: converged after 8 iterations. iteration 1067: trace = 2.393186825198472 (7.58526e-05% change) large trace change predicted (0.000155663%) linmin: converged after 7 iterations. iteration 1068: trace = 2.393183100095089 (0.000155655% change) linmin: converged after 5 iterations. iteration 1069: trace = 2.393181932013928 (4.88087e-05% change) large trace change predicted (0.000120468%) linmin: converged after 12 iterations. iteration 1070: trace = 2.393179049354931 (0.000120453% change) linmin: converged after 4 iterations. iteration 1071: trace = 2.39317841544213 (2.64883e-05% change) large trace change predicted (6.14963e-05%) linmin: converged after 3 iterations. iteration 1072: trace = 2.393176943830439 (6.1492e-05% change) linmin: converged after 5 iterations. iteration 1073: trace = 2.393176128200228 (3.40815e-05% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.393175836730765 (1.21792e-05% change) large trace change predicted (3.12721e-05%) linmin: converged after 8 iterations. iteration 1075: trace = 2.393175088311975 (3.1273e-05% change) linmin: converged after 6 iterations. iteration 1076: trace = 2.393174836913051 (1.05048e-05% change) linmin: converged after 5 iterations. iteration 1077: trace = 2.393174499953542 (1.408e-05% change) linmin: converged after 8 iterations. iteration 1078: trace = 2.393173917660776 (2.43314e-05% change) linmin: converged after 12 iterations. iteration 1079: trace = 2.393173583806723 (1.39503e-05% change) large trace change predicted (3.56268e-05%) linmin: converged after 6 iterations. iteration 1080: trace = 2.393172731134282 (3.56294e-05% change) large trace change predicted (7.21561e-05%) linmin: converged after 4 iterations. iteration 1081: trace = 2.393171004310397 (7.21563e-05% change) linmin: converged after 5 iterations. iteration 1082: trace = 2.393170288825717 (2.98969e-05% change) large trace change predicted (9.661e-05%) linmin: converged after 4 iterations. iteration 1083: trace = 2.393167976850339 (9.66073e-05% change) linmin: converged after 12 iterations. iteration 1084: trace = 2.393166861195967 (4.66183e-05% change) linmin: converged after 4 iterations. iteration 1085: trace = 2.393164724567955 (8.92804e-05% change) linmin: converged after 4 iterations. iteration 1086: trace = 2.393162654720227 (8.649e-05% change) linmin: converged after 5 iterations. iteration 1087: trace = 2.393161542554514 (4.64726e-05% change) large trace change predicted (9.32381e-05%) linmin: converged after 6 iterations. iteration 1088: trace = 2.393159311105262 (9.32428e-05% change) linmin: converged after 5 iterations. iteration 1089: trace = 2.39315628345993 (0.000126513% change) linmin: converged after 4 iterations. iteration 1090: trace = 2.393155423667713 (3.59271e-05% change) large trace change predicted (8.793e-05%) linmin: converged after 5 iterations. iteration 1091: trace = 2.393153319160044 (8.79387e-05% change) linmin: converged after 5 iterations. iteration 1092: trace = 2.393152590988818 (3.04273e-05% change) linmin: converged after 5 iterations. iteration 1093: trace = 2.393151958891362 (2.64128e-05% change) linmin: converged after 5 iterations. iteration 1094: trace = 2.393151108429939 (3.55373e-05% change) linmin: converged after 5 iterations. iteration 1095: trace = 2.393150857445542 (1.04876e-05% change) large trace change predicted (4.02579e-05%) linmin: converged after 7 iterations. iteration 1096: trace = 2.393149894031267 (4.02572e-05% change) linmin: converged after 6 iterations. iteration 1097: trace = 2.393149149982629 (3.10908e-05% change) linmin: converged after 15 iterations. iteration 1098: trace = 2.393148195430912 (3.98869e-05% change) large trace change predicted (0.000119726%) linmin: converged after 6 iterations. iteration 1099: trace = 2.393145330313613 (0.000119722% change) linmin: converged after 6 iterations. iteration 1100: trace = 2.393144180958879 (4.8027e-05% change) large trace change predicted (0.000107822%) linmin: converged after 6 iterations. iteration 1101: trace = 2.393141600546532 (0.000107825% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.393138867497359 (0.000114203% change) linmin: converged after 5 iterations. iteration 1103: trace = 2.393137437991372 (5.97335e-05% change) linmin: converged after 6 iterations. iteration 1104: trace = 2.393134889901042 (0.000106475% change) linmin: converged after 8 iterations. iteration 1105: trace = 2.393134056875987 (3.4809e-05% change) large trace change predicted (0.000114227%) linmin: converged after 6 iterations. iteration 1106: trace = 2.393131323002051 (0.000114238% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.393130471419162 (3.55845e-05% change) linmin: converged after 4 iterations. iteration 1108: trace = 2.393129703889396 (3.20722e-05% change) linmin: converged after 13 iterations. iteration 1109: trace = 2.393128458007009 (5.20608e-05% change) linmin: converged after 6 iterations. iteration 1110: trace = 2.393128111015753 (1.44995e-05% change) large trace change predicted (4.7851e-05%) linmin: converged after 7 iterations. iteration 1111: trace = 2.39312696584973 (4.78523e-05% change) linmin: converged after 8 iterations. iteration 1112: trace = 2.3931266391468 (1.36517e-05% change) large trace change predicted (3.78281e-05%) linmin: converged after 5 iterations. iteration 1113: trace = 2.393125733843513 (3.78293e-05% change) linmin: converged after 5 iterations. iteration 1114: trace = 2.393125357326621 (1.57333e-05% change) linmin: converged after 4 iterations. iteration 1115: trace = 2.39312510143522 (1.06928e-05% change) linmin: converged after 7 iterations. iteration 1116: trace = 2.393124646352413 (1.90163e-05% change) linmin: converged after 8 iterations. iteration 1117: trace = 2.393124566839406 (3.32256e-06% change) large trace change predicted (2.60653e-05%) linmin: converged after 4 iterations. iteration 1118: trace = 2.393123943067639 (2.60652e-05% change) linmin: converged after 5 iterations. iteration 1119: trace = 2.393123292302728 (2.71931e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.393122795144083 (2.07745e-05% change) linmin: converged after 3 iterations. iteration 1121: trace = 2.393122221499031 (2.39706e-05% change) linmin: converged after 9 iterations. iteration 1122: trace = 2.393122026857971 (8.13335e-06% change) linmin: converged after 9 iterations. iteration 1123: trace = 2.393121762135788 (1.10618e-05% change) linmin: converged after 5 iterations. iteration 1124: trace = 2.393121315690836 (1.86553e-05% change) linmin: converged after 12 iterations. iteration 1125: trace = 2.393121043248063 (1.13844e-05% change) large trace change predicted (2.35221e-05%) linmin: converged after 4 iterations. iteration 1126: trace = 2.393120480355973 (2.35213e-05% change) linmin: converged after 10 iterations. iteration 1127: trace = 2.393119750018178 (3.05182e-05% change) linmin: converged after 5 iterations. iteration 1128: trace = 2.393119411592762 (1.41416e-05% change) large trace change predicted (4.9348e-05%) linmin: converged after 8 iterations. iteration 1129: trace = 2.393118230639719 (4.93479e-05% change) linmin: converged after 4 iterations. iteration 1130: trace = 2.393117875081792 (1.48575e-05% change) large trace change predicted (4.74419e-05%) linmin: converged after 3 iterations. iteration 1131: trace = 2.393116739756548 (4.74413e-05% change) linmin: converged after 5 iterations. iteration 1132: trace = 2.393115488628403 (5.22803e-05% change) linmin: converged after 12 iterations. iteration 1133: trace = 2.393114965220025 (2.18714e-05% change) large trace change predicted (8.47535e-05%) linmin: converged after 7 iterations. iteration 1134: trace = 2.393112937186994 (8.47445e-05% change) linmin: converged after 4 iterations. iteration 1135: trace = 2.39311180181349 (4.74434e-05% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.393110339065101 (6.11233e-05% change) linmin: converged after 9 iterations. iteration 1137: trace = 2.393108472239607 (7.80084e-05% change) linmin: converged after 5 iterations. iteration 1138: trace = 2.393107594039128 (3.66971e-05% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.393106173298511 (5.9368e-05% change) linmin: converged after 3 iterations. iteration 1140: trace = 2.393105006931219 (4.87386e-05% change) linmin: converged after 8 iterations. iteration 1141: trace = 2.393104440007796 (2.36899e-05% change) linmin: converged after 4 iterations. iteration 1142: trace = 2.393103689050256 (3.13801e-05% change) linmin: converged after 5 iterations. iteration 1143: trace = 2.393103499564331 (7.918e-06% change) large trace change predicted (1.88069e-05%) linmin: converged after 4 iterations. iteration 1144: trace = 2.393103049500558 (1.88067e-05% change) linmin: converged after 5 iterations. iteration 1145: trace = 2.393102732345627 (1.32529e-05% change) linmin: converged after 5 iterations. iteration 1146: trace = 2.393102478486765 (1.06079e-05% change) large trace change predicted (2.48009e-05%) linmin: converged after 4 iterations. iteration 1147: trace = 2.393101884993238 (2.48002e-05% change) linmin: converged after 4 iterations. iteration 1148: trace = 2.393101518122005 (1.53304e-05% change) large trace change predicted (5.74864e-05%) linmin: converged after 18 iterations. iteration 1149: trace = 2.393100142463501 (5.74844e-05% change) linmin: converged after 5 iterations. iteration 1150: trace = 2.393098797410638 (5.62055e-05% change) linmin: converged after 7 iterations. iteration 1151: trace = 2.393098152780351 (2.69371e-05% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.393097005977972 (4.79213e-05% change) linmin: converged after 3 iterations. iteration 1153: trace = 2.393095935653633 (4.47255e-05% change) linmin: converged after 5 iterations. iteration 1154: trace = 2.393095541297538 (1.64789e-05% change) large trace change predicted (5.49254e-05%) linmin: converged after 18 iterations. iteration 1155: trace = 2.393094226921638 (5.49237e-05% change) linmin: converged after 3 iterations. iteration 1156: trace = 2.39309396426576 (1.09756e-05% change) large trace change predicted (3.10945e-05%) linmin: converged after 10 iterations. iteration 1157: trace = 2.393093220141118 (3.10947e-05% change) linmin: converged after 10 iterations. iteration 1158: trace = 2.39309264554897 (2.40104e-05% change) linmin: converged after 20 iterations. iteration 1159: trace = 2.393092448080255 (8.25161e-06% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.393092059924631 (1.62198e-05% change) linmin: converged after 4 iterations. iteration 1161: trace = 2.393091858329862 (8.42403e-06% change) linmin: converged after 5 iterations. iteration 1162: trace = 2.393091720097054 (5.77633e-06% change) linmin: converged after 3 iterations. iteration 1163: trace = 2.393091541114908 (7.47912e-06% change) linmin: converged after 4 iterations. iteration 1164: trace = 2.393091447694025 (3.90377e-06% change) large trace change predicted (8.30835e-06%) linmin: converged after 15 iterations. iteration 1165: trace = 2.393091248865591 (8.30843e-06% change) linmin: converged after 10 iterations. iteration 1166: trace = 2.393090859375185 (1.62756e-05% change) linmin: converged after 7 iterations. iteration 1167: trace = 2.393090694880812 (6.87372e-06% change) large trace change predicted (3.23481e-05%) linmin: converged after 15 iterations. iteration 1168: trace = 2.393089920781617 (3.23473e-05% change) linmin: converged after 17 iterations. iteration 1169: trace = 2.393088972181016 (3.96392e-05% change) linmin: converged after 4 iterations. iteration 1170: trace = 2.393088551654936 (1.75725e-05% change) large trace change predicted (3.88729e-05%) linmin: converged after 4 iterations. iteration 1171: trace = 2.393087621447286 (3.88706e-05% change) linmin: converged after 4 iterations. iteration 1172: trace = 2.393087098770607 (2.18411e-05% change) linmin: converged after 4 iterations. iteration 1173: trace = 2.393086513505814 (2.44565e-05% change) linmin: converged after 6 iterations. iteration 1174: trace = 2.393085756884826 (3.1617e-05% change) linmin: converged after 19 iterations. iteration 1175: trace = 2.393085656497844 (4.19488e-06% change) large trace change predicted (1.52876e-05%) linmin: converged after 5 iterations. iteration 1176: trace = 2.39308529065863 (1.52873e-05% change) linmin: converged after 8 iterations. iteration 1177: trace = 2.393085151679289 (5.80754e-06% change) linmin: converged after 5 iterations. iteration 1178: trace = 2.393084939720825 (8.85712e-06% change) linmin: converged after 5 iterations. iteration 1179: trace = 2.393084551457581 (1.62244e-05% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.39308438782028 (6.83792e-06% change) large trace change predicted (1.95492e-05%) linmin: converged after 6 iterations. iteration 1181: trace = 2.393083920006672 (1.95486e-05% change) linmin: converged after 16 iterations. iteration 1182: trace = 2.3930835389766 (1.59221e-05% change) linmin: converged after 6 iterations. iteration 1183: trace = 2.393083287334296 (1.05154e-05% change) linmin: converged after 5 iterations. iteration 1184: trace = 2.393082885619513 (1.67865e-05% change) linmin: converged after 7 iterations. iteration 1185: trace = 2.393082543878946 (1.42803e-05% change) linmin: converged after 4 iterations. iteration 1186: trace = 2.39308201855262 (2.19519e-05% change) linmin: converged after 5 iterations. iteration 1187: trace = 2.393081060456546 (4.00361e-05% change) linmin: converged after 8 iterations. iteration 1188: trace = 2.393080464286011 (2.49123e-05% change) large trace change predicted (0.000132277%) linmin: converged after 4 iterations. iteration 1189: trace = 2.393077298895951 (0.000132273% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1190: trace = 2.393076240239254 (4.42383e-05% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.393074750140043 (6.22671e-05% change) linmin: converged after 8 iterations. iteration 1192: trace = 2.393073809711386 (3.92979e-05% change) linmin: converged after 18 iterations. iteration 1193: trace = 2.39307351609799 (1.22693e-05% change) linmin: converged after 4 iterations. iteration 1194: trace = 2.393072929586735 (2.45087e-05% change) linmin: converged after 5 iterations. iteration 1195: trace = 2.393072566130759 (1.51878e-05% change) linmin: converged after 6 iterations. iteration 1196: trace = 2.393072357762494 (8.70714e-06% change) linmin: converged after 5 iterations. iteration 1197: trace = 2.393072037362187 (1.33887e-05% change) linmin: converged after 6 iterations. iteration 1198: trace = 2.393071930524768 (4.46445e-06% change) large trace change predicted (9.56957e-06%) linmin: converged after 4 iterations. iteration 1199: trace = 2.393071701518167 (9.56957e-06% change) linmin: converged after 5 iterations. iteration 1200: trace = 2.39307140753333 (1.22848e-05% change) linmin: converged after 16 iterations. iteration 1201: trace = 2.393071323863251 (3.49635e-06% change) large trace change predicted (1.10284e-05%) linmin: converged after 5 iterations. iteration 1202: trace = 2.393071059940076 (1.10286e-05% change) linmin: converged after 6 iterations. iteration 1203: trace = 2.393070926133761 (5.59141e-06% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.393070793781081 (5.53066e-06% change) large trace change predicted (1.58304e-05%) linmin: converged after 4 iterations. iteration 1205: trace = 2.393070414942804 (1.58306e-05% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.393070263111629 (6.34462e-06% change) linmin: converged after 19 iterations. iteration 1207: trace = 2.393069975221526 (1.20302e-05% change) large trace change predicted (2.95267e-05%) linmin: converged after 7 iterations. iteration 1208: trace = 2.393069268622976 (2.95269e-05% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.393069118002479 (6.29403e-06% change) large trace change predicted (2.71235e-05%) linmin: converged after 17 iterations. iteration 1210: trace = 2.393068468921886 (2.71234e-05% change) linmin: converged after 5 iterations. iteration 1211: trace = 2.393068209934187 (1.08224e-05% change) linmin: converged after 6 iterations. iteration 1212: trace = 2.393067826420286 (1.6026e-05% change) linmin: converged after 5 iterations. iteration 1213: trace = 2.39306755074399 (1.15198e-05% change) linmin: converged after 5 iterations. iteration 1214: trace = 2.393067481258047 (2.90363e-06% change) large trace change predicted (6.62382e-06%) linmin: converged after 7 iterations. iteration 1215: trace = 2.393067322743694 (6.6239e-06% change) linmin: converged after 9 iterations. iteration 1216: trace = 2.393067247866624 (3.12892e-06% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.393067201984167 (1.91731e-06% change) large trace change predicted (5.75137e-06%) linmin: converged after 5 iterations. iteration 1218: trace = 2.393067064347898 (5.75146e-06% change) linmin: converged after 4 iterations. iteration 1219: trace = 2.393067013798175 (2.11234e-06% change) large trace change predicted (6.27588e-06%) linmin: converged after 4 iterations. iteration 1220: trace = 2.393066863611985 (6.27589e-06% change) linmin: converged after 5 iterations. iteration 1221: trace = 2.393066564182733 (1.25124e-05% change) linmin: converged after 5 iterations. iteration 1222: trace = 2.39306644592344 (4.94175e-06% change) large trace change predicted (1.84633e-05%) linmin: converged after 6 iterations. iteration 1223: trace = 2.393066004079361 (1.84635e-05% change) linmin: converged after 5 iterations. iteration 1224: trace = 2.393065760666671 (1.01716e-05% change) large trace change predicted (2.08722e-05%) linmin: converged after 6 iterations. iteration 1225: trace = 2.393065261168879 (2.08727e-05% change) linmin: converged after 4 iterations. iteration 1226: trace = 2.393064858116487 (1.68425e-05% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.393064647187562 (8.81418e-06% change) large trace change predicted (2.02102e-05%) linmin: converged after 12 iterations. iteration 1228: trace = 2.39306416354039 (2.02104e-05% change) linmin: converged after 5 iterations. iteration 1229: trace = 2.393063626688344 (2.24337e-05% change) linmin: converged after 5 iterations. iteration 1230: trace = 2.393063278698965 (1.45416e-05% change) linmin: converged after 5 iterations. iteration 1231: trace = 2.393062704453462 (2.39963e-05% change) linmin: converged after 4 iterations. iteration 1232: trace = 2.39306257817967 (5.27666e-06% change) linmin: converged after 5 iterations. iteration 1233: trace = 2.393062375079716 (8.48703e-06% change) linmin: converged after 5 iterations. iteration 1234: trace = 2.393062226591907 (6.20493e-06% change) linmin: converged after 13 iterations. iteration 1235: trace = 2.393062150715249 (3.17069e-06% change) large trace change predicted (7.1653e-06%) linmin: converged after 4 iterations. iteration 1236: trace = 2.393061979244249 (7.16534e-06% change) linmin: converged after 10 iterations. iteration 1237: trace = 2.393061908567113 (2.95342e-06% change) large trace change predicted (1.09655e-05%) linmin: converged after 13 iterations. iteration 1238: trace = 2.393061646153985 (1.09656e-05% change) linmin: converged after 5 iterations. iteration 1239: trace = 2.393061357126682 (1.20777e-05% change) linmin: converged after 5 iterations. iteration 1240: trace = 2.39306106810203 (1.20776e-05% change) linmin: converged after 5 iterations. iteration 1241: trace = 2.393060602970678 (1.94367e-05% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.3930602614582 (1.4271e-05% change) linmin: converged after 6 iterations. iteration 1243: trace = 2.393059776248598 (2.02757e-05% change) linmin: converged after 5 iterations. iteration 1244: trace = 2.393059160145531 (2.57454e-05% change) linmin: converged after 7 iterations. iteration 1245: trace = 2.393058912697326 (1.03402e-05% change) large trace change predicted (2.06885e-05%) linmin: converged after 9 iterations. iteration 1246: trace = 2.39305841758815 (2.06894e-05% change) linmin: converged after 5 iterations. iteration 1247: trace = 2.393058288110684 (5.41054e-06% change) large trace change predicted (1.13421e-05%) linmin: converged after 2 iterations. iteration 1248: trace = 2.393058016687091 (1.13421e-05% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.393057784387755 (9.70722e-06% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.393057694039186 (3.77544e-06% change) large trace change predicted (1.12147e-05%) linmin: converged after 4 iterations. iteration 1251: trace = 2.393057425664721 (1.12147e-05% change) linmin: converged after 6 iterations. iteration 1252: trace = 2.393057344262602 (3.40159e-06% change) large trace change predicted (7.092e-06%) linmin: converged after 4 iterations. iteration 1253: trace = 2.393057174544058 (7.09212e-06% change) linmin: converged after 20 iterations. iteration 1254: trace = 2.39305706377123 (4.62893e-06% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.393057004024575 (2.49667e-06% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.39305691958685 (3.52845e-06% change) linmin: converged after 7 iterations. iteration 1257: trace = 2.393056878822534 (1.70344e-06% change) linmin: converged after 5 iterations. iteration 1258: trace = 2.39305681617839 (2.61775e-06% change) large trace change predicted (5.79016e-06%) linmin: converged after 15 iterations. iteration 1259: trace = 2.393056677618627 (5.79007e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.393056615081571 (2.61327e-06% change) linmin: converged after 4 iterations. iteration 1261: trace = 2.393056537874384 (3.2263e-06% change) linmin: converged after 5 iterations. iteration 1262: trace = 2.393056476760083 (2.55382e-06% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.393056445828446 (1.29256e-06% change) large trace change predicted (3.23548e-06%) linmin: converged after 4 iterations. iteration 1264: trace = 2.393056368401015 (3.2355e-06% change) linmin: converged after 7 iterations. iteration 1265: trace = 2.393056228587454 (5.84247e-06% change) linmin: converged after 4 iterations. iteration 1266: trace = 2.393056180500727 (2.00943e-06% change) large trace change predicted (7.96015e-06%) linmin: converged after 5 iterations. iteration 1267: trace = 2.393055990013713 (7.95999e-06% change) linmin: converged after 4 iterations. iteration 1268: trace = 2.393055894830834 (3.97746e-06% change) linmin: converged after 14 iterations. iteration 1269: trace = 2.393055738068435 (6.55072e-06% change) linmin: converged after 12 iterations. iteration 1270: trace = 2.393055559474342 (7.46301e-06% change) linmin: converged after 5 iterations. iteration 1271: trace = 2.393055446448873 (4.72306e-06% change) large trace change predicted (1.0583e-05%) linmin: converged after 4 iterations. iteration 1272: trace = 2.393055193199412 (1.05827e-05% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.393054815707878 (1.57745e-05% change) linmin: converged after 11 iterations. iteration 1274: trace = 2.393054697166692 (4.95355e-06% change) large trace change predicted (1.88963e-05%) linmin: converged after 6 iterations. iteration 1275: trace = 2.393054244993206 (1.88952e-05% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.393053985666967 (1.08366e-05% change) linmin: converged after 4 iterations. iteration 1277: trace = 2.393053817100578 (7.04399e-06% change) large trace change predicted (1.72193e-05%) linmin: converged after 5 iterations. iteration 1278: trace = 2.393053405038393 (1.72191e-05% change) linmin: converged after 7 iterations. iteration 1279: trace = 2.39305330651077 (4.11723e-06% change) large trace change predicted (1.10084e-05%) linmin: converged after 7 iterations. iteration 1280: trace = 2.39305304307857 (1.10082e-05% change) linmin: converged after 12 iterations. iteration 1281: trace = 2.393052973546367 (2.90559e-06% change) large trace change predicted (5.81259e-06%) linmin: converged after 7 iterations. iteration 1282: trace = 2.393052834449853 (5.81251e-06% change) linmin: converged after 4 iterations. iteration 1283: trace = 2.393052788630628 (1.91468e-06% change) linmin: converged after 12 iterations. iteration 1284: trace = 2.393052698068568 (3.78437e-06% change) linmin: converged after 7 iterations. iteration 1285: trace = 2.393052666944639 (1.3006e-06% change) large trace change predicted (3.6287e-06%) linmin: converged after 4 iterations. iteration 1286: trace = 2.393052580108233 (3.62869e-06% change) linmin: converged after 5 iterations. iteration 1287: trace = 2.393052534726269 (1.8964e-06% change) large trace change predicted (5.44108e-06%) linmin: converged after 13 iterations. iteration 1288: trace = 2.393052404519425 (5.44104e-06% change) linmin: converged after 5 iterations. iteration 1289: trace = 2.393052313475159 (3.80452e-06% change) large trace change predicted (1.11147e-05%) linmin: converged after 3 iterations. iteration 1290: trace = 2.393052047496551 (1.11146e-05% change) linmin: converged after 3 iterations. iteration 1291: trace = 2.393051891885403 (6.50262e-06% change) linmin: converged after 4 iterations. iteration 1292: trace = 2.393051718982003 (7.22523e-06% change) linmin: converged after 7 iterations. iteration 1293: trace = 2.39305143063593 (1.20493e-05% change) linmin: converged after 4 iterations. iteration 1294: trace = 2.393051301111332 (5.41253e-06% change) linmin: converged after 10 iterations. iteration 1295: trace = 2.393051073815899 (9.49814e-06% change) linmin: converged after 8 iterations. iteration 1296: trace = 2.393050980766919 (3.8883e-06% change) large trace change predicted (8.42128e-06%) linmin: converged after 5 iterations. iteration 1297: trace = 2.393050779248155 (8.421e-06% change) linmin: converged after 20 iterations. iteration 1298: trace = 2.393050700075646 (3.30843e-06% change) linmin: converged after 4 iterations. iteration 1299: trace = 2.393050577158003 (5.13644e-06% change) linmin: converged after 5 iterations. iteration 1300: trace = 2.393050512685025 (2.69418e-06% change) large trace change predicted (5.60134e-06%) linmin: converged after 10 iterations. iteration 1301: trace = 2.393050378643705 (5.60127e-06% change) linmin: converged after 16 iterations. iteration 1302: trace = 2.393050309818964 (2.87603e-06% change) linmin: converged after 22 iterations. iteration 1303: trace = 2.393050263643945 (1.92955e-06% change) linmin: converged after 4 iterations. iteration 1304: trace = 2.393050220657166 (1.79632e-06% change) linmin: converged after 10 iterations. iteration 1305: trace = 2.393050203526576 (7.15847e-07% change) linmin: converged after 4 iterations. iteration 1306: trace = 2.3930501758973 (1.15456e-06% change) linmin: converged after 4 iterations. iteration 1307: trace = 2.393050131205801 (1.86755e-06% change) linmin: converged after 5 iterations. iteration 1308: trace = 2.393050089127964 (1.75833e-06% change) large trace change predicted (4.20362e-06%) linmin: converged after 6 iterations. iteration 1309: trace = 2.393049988533434 (4.20361e-06% change) linmin: converged after 4 iterations. iteration 1310: trace = 2.393049937494488 (2.1328e-06% change) large trace change predicted (8.69199e-06%) linmin: converged after 9 iterations. iteration 1311: trace = 2.393049729492954 (8.6919e-06% change) linmin: converged after 4 iterations. iteration 1312: trace = 2.393049607969515 (5.07818e-06% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.393049501404847 (4.45309e-06% change) linmin: converged after 4 iterations. iteration 1314: trace = 2.393049323187542 (7.44729e-06% change) linmin: converged after 4 iterations. iteration 1315: trace = 2.39304926248731 (2.53652e-06% change) large trace change predicted (7.06838e-06%) linmin: converged after 4 iterations. iteration 1316: trace = 2.393049093338875 (7.06832e-06% change) linmin: converged after 4 iterations. iteration 1317: trace = 2.393049058766344 (1.44471e-06% change) large trace change predicted (4.27578e-06%) linmin: converged after 4 iterations. iteration 1318: trace = 2.393048956446813 (4.2757e-06% change) linmin: converged after 4 iterations. iteration 1319: trace = 2.393048927188473 (1.22264e-06% change) linmin: converged after 10 iterations. iteration 1320: trace = 2.393048899655163 (1.15055e-06% change) large trace change predicted (2.34947e-06%) linmin: converged after 4 iterations. iteration 1321: trace = 2.393048843431763 (2.34945e-06% change) linmin: converged after 4 iterations. iteration 1322: trace = 2.393048816737902 (1.11547e-06% change) large trace change predicted (3.55362e-06%) linmin: converged after 5 iterations. iteration 1323: trace = 2.393048731698826 (3.55359e-06% change) linmin: converged after 4 iterations. iteration 1324: trace = 2.393048703664522 (1.17149e-06% change) large trace change predicted (3.85066e-06%) linmin: converged after 7 iterations. iteration 1325: trace = 2.393048611517881 (3.8506e-06% change) linmin: converged after 4 iterations. iteration 1326: trace = 2.393048579464149 (1.33945e-06% change) large trace change predicted (3.0756e-06%) linmin: converged after 4 iterations. iteration 1327: trace = 2.393048505863385 (3.07561e-06% change) linmin: converged after 10 iterations. iteration 1328: trace = 2.393048443971334 (2.58633e-06% change) linmin: converged after 7 iterations. iteration 1329: trace = 2.393048381534923 (2.60907e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1330: trace = 2.393048328290756 (2.22495e-06% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.393048299015218 (1.22336e-06% change) large trace change predicted (2.55996e-06%) linmin: converged after 4 iterations. iteration 1332: trace = 2.393048237753289 (2.56e-06% change) linmin: converged after 7 iterations. iteration 1333: trace = 2.393048197191078 (1.695e-06% change) linmin: converged after 6 iterations. iteration 1334: trace = 2.393048129759274 (2.81782e-06% change) linmin: converged after 5 iterations. iteration 1335: trace = 2.393048041225096 (3.69964e-06% change) linmin: converged after 10 iterations. iteration 1336: trace = 2.393047995579124 (1.90744e-06% change) linmin: converged after 7 iterations. iteration 1337: trace = 2.393047932543754 (2.6341e-06% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.393047913875658 (7.80097e-07% change) linmin: converged after 4 iterations. iteration 1339: trace = 2.393047876559465 (1.55936e-06% change) linmin: converged after 9 iterations. iteration 1340: trace = 2.393047856457463 (8.40017e-07% change) large trace change predicted (2.36425e-06%) linmin: converged after 4 iterations. iteration 1341: trace = 2.393047799879071 (2.36428e-06% change) linmin: converged after 4 iterations. iteration 1342: trace = 2.393047772283724 (1.15315e-06% change) large trace change predicted (3.23171e-06%) linmin: converged after 7 iterations. iteration 1343: trace = 2.393047694946287 (3.23175e-06% change) linmin: converged after 5 iterations. iteration 1344: trace = 2.393047596511027 (4.11338e-06% change) linmin: converged after 5 iterations. iteration 1345: trace = 2.393047474833821 (5.08461e-06% change) linmin: converged after 11 iterations. iteration 1346: trace = 2.393047338806019 (5.68429e-06% change) linmin: converged after 4 iterations. iteration 1347: trace = 2.393047257982458 (3.37743e-06% change) linmin: converged after 4 iterations. iteration 1348: trace = 2.393047135550511 (5.11615e-06% change) linmin: converged after 14 iterations. iteration 1349: trace = 2.393047097102274 (1.60666e-06% change) large trace change predicted (3.51195e-06%) linmin: converged after 4 iterations. iteration 1350: trace = 2.39304701305934 (3.51196e-06% change) linmin: converged after 4 iterations. iteration 1351: trace = 2.393046984576715 (1.19022e-06% change) linmin: converged after 6 iterations. iteration 1352: trace = 2.393046931180142 (2.23132e-06% change) linmin: converged after 5 iterations. iteration 1353: trace = 2.393046915962283 (6.3592e-07% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.393046897778245 (7.5987e-07% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.393046878039405 (8.24841e-07% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.393046866874994 (4.66535e-07% change) large trace change predicted (1.46683e-06%) linmin: converged after 4 iterations. iteration 1357: trace = 2.393046831773244 (1.46682e-06% change) linmin: converged after 4 iterations. iteration 1358: trace = 2.393046814533188 (7.20423e-07% change) large trace change predicted (3.20676e-06%) linmin: converged after 4 iterations. iteration 1359: trace = 2.393046737793498 (3.20678e-06% change) linmin: converged after 4 iterations. iteration 1360: trace = 2.393046708205591 (1.23641e-06% change) large trace change predicted (4.33715e-06%) linmin: converged after 4 iterations. iteration 1361: trace = 2.39304660441495 (4.33718e-06% change) linmin: converged after 11 iterations. iteration 1362: trace = 2.393046566447987 (1.58655e-06% change) large trace change predicted (5.08932e-06%) linmin: converged after 5 iterations. iteration 1363: trace = 2.393046444655694 (5.08942e-06% change) linmin: converged after 5 iterations. iteration 1364: trace = 2.393046383381343 (2.56052e-06% change) linmin: converged after 18 iterations. iteration 1365: trace = 2.393046267203792 (4.8548e-06% change) linmin: converged after 4 iterations. iteration 1366: trace = 2.393046218720034 (2.02603e-06% change) linmin: converged after 5 iterations. iteration 1367: trace = 2.393046139102549 (3.32704e-06% change) linmin: converged after 4 iterations. iteration 1368: trace = 2.393046039867581 (4.14681e-06% change) linmin: converged after 4 iterations. iteration 1369: trace = 2.393046002691606 (1.5535e-06% change) large trace change predicted (4.61047e-06%) linmin: converged after 7 iterations. iteration 1370: trace = 2.39304589235923 (4.61054e-06% change) linmin: converged after 8 iterations. iteration 1371: trace = 2.39304585265538 (1.65913e-06% change) large trace change predicted (3.91846e-06%) linmin: converged after 2 iterations. iteration 1372: trace = 2.393045758883969 (3.9185e-06% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.393045702494113 (2.35641e-06% change) linmin: converged after 6 iterations. iteration 1374: trace = 2.393045627622473 (3.12872e-06% change) linmin: converged after 4 iterations. iteration 1375: trace = 2.393045587604463 (1.67226e-06% change) linmin: converged after 4 iterations. iteration 1376: trace = 2.393045559868877 (1.15901e-06% change) linmin: converged after 6 iterations. iteration 1377: trace = 2.393045517257147 (1.78065e-06% change) linmin: converged after 4 iterations. iteration 1378: trace = 2.393045504406508 (5.36999e-07% change) large trace change predicted (1.65131e-06%) linmin: converged after 6 iterations. iteration 1379: trace = 2.393045464889901 (1.65131e-06% change) linmin: converged after 4 iterations. iteration 1380: trace = 2.3930454486097 (6.80313e-07% change) large trace change predicted (2.07446e-06%) linmin: converged after 4 iterations. iteration 1381: trace = 2.393045398966872 (2.07446e-06% change) linmin: converged after 4 iterations. iteration 1382: trace = 2.393045369916776 (1.21394e-06% change) large trace change predicted (3.85259e-06%) linmin: converged after 4 iterations. iteration 1383: trace = 2.39304527772303 (3.85257e-06% change) linmin: converged after 7 iterations. iteration 1384: trace = 2.393045250595841 (1.13358e-06% change) large trace change predicted (5.11718e-06%) linmin: converged after 2 iterations. iteration 1385: trace = 2.393045128139787 (5.11716e-06% change) linmin: converged after 4 iterations. iteration 1386: trace = 2.393045070773681 (2.3972e-06% change) linmin: converged after 4 iterations. iteration 1387: trace = 2.393044972639807 (4.1008e-06% change) linmin: converged after 6 iterations. iteration 1388: trace = 2.393044886836283 (3.58554e-06% change) linmin: converged after 5 iterations. iteration 1389: trace = 2.393044837888691 (2.04541e-06% change) large trace change predicted (4.93033e-06%) linmin: converged after 20 iterations. iteration 1390: trace = 2.393044719900148 (4.93048e-06% change) linmin: converged after 5 iterations. iteration 1391: trace = 2.393044676916462 (1.79619e-06% change) linmin: converged after 6 iterations. iteration 1392: trace = 2.393044599321871 (3.2425e-06% change) linmin: converged after 8 iterations. iteration 1393: trace = 2.393044558794039 (1.69357e-06% change) linmin: converged after 5 iterations. iteration 1394: trace = 2.39304453182369 (1.12703e-06% change) large trace change predicted (3.21347e-06%) linmin: converged after 14 iterations. iteration 1395: trace = 2.393044454923096 (3.2135e-06% change) linmin: converged after 10 iterations. iteration 1396: trace = 2.393044427490997 (1.14633e-06% change) linmin: converged after 17 iterations. iteration 1397: trace = 2.39304440311078 (1.01879e-06% change) linmin: converged after 4 iterations. iteration 1398: trace = 2.393044358744777 (1.85396e-06% change) linmin: converged after 10 iterations. iteration 1399: trace = 2.393044343179163 (6.50452e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1400: trace = 2.393044317327115 (1.0803e-06% change) linmin: converged after 7 iterations. iteration 1401: trace = 2.393044305443318 (4.96597e-07% change) large trace change predicted (1.44587e-06%) linmin: converged after 9 iterations. iteration 1402: trace = 2.393044270842982 (1.44587e-06% change) linmin: converged after 4 iterations. iteration 1403: trace = 2.393044258847891 (5.01248e-07% change) large trace change predicted (1.16614e-06%) linmin: converged after 4 iterations. iteration 1404: trace = 2.393044230941894 (1.16613e-06% change) linmin: converged after 5 iterations. iteration 1405: trace = 2.393044209751821 (8.85486e-07% change) linmin: converged after 4 iterations. iteration 1406: trace = 2.393044196817415 (5.405e-07% change) linmin: converged after 4 iterations. iteration 1407: trace = 2.393044176109413 (8.65341e-07% change) linmin: converged after 4 iterations. iteration 1408: trace = 2.393044165731455 (4.33672e-07% change) large trace change predicted (1.11444e-06%) linmin: converged after 9 iterations. iteration 1409: trace = 2.39304413906244 (1.11444e-06% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.39304409266283 (1.93894e-06% change) linmin: converged after 7 iterations. iteration 1411: trace = 2.393044078486318 (5.92405e-07% change) large trace change predicted (2.66756e-06%) linmin: converged after 4 iterations. iteration 1412: trace = 2.393044014650757 (2.66755e-06% change) linmin: converged after 13 iterations. iteration 1413: trace = 2.393043996954741 (7.39477e-07% change) large trace change predicted (3.02008e-06%) linmin: converged after 4 iterations. iteration 1414: trace = 2.393043924683424 (3.02006e-06% change) linmin: converged after 22 iterations. iteration 1415: trace = 2.393043867848928 (2.37499e-06% change) linmin: converged after 6 iterations. iteration 1416: trace = 2.393043789572758 (3.27099e-06% change) linmin: converged after 4 iterations. iteration 1417: trace = 2.393043680263648 (4.56779e-06% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.393043604443347 (3.16836e-06% change) large trace change predicted (7.53611e-06%) linmin: converged after 5 iterations. iteration 1419: trace = 2.393043424104625 (7.53596e-06% change) linmin: converged after 5 iterations. iteration 1420: trace = 2.39304335850579 (2.74123e-06% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.393043254417022 (4.34964e-06% change) linmin: converged after 7 iterations. iteration 1422: trace = 2.393043214948686 (1.64929e-06% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.393043156058355 (2.4609e-06% change) linmin: converged after 7 iterations. iteration 1424: trace = 2.393043140534718 (6.48699e-07% change) large trace change predicted (1.5403e-06%) linmin: converged after 4 iterations. iteration 1425: trace = 2.393043103674845 (1.54029e-06% change) linmin: converged after 4 iterations. iteration 1426: trace = 2.393043096206218 (3.12097e-07% change) large trace change predicted (1.23265e-06%) linmin: converged after 4 iterations. iteration 1427: trace = 2.393043066708647 (1.23264e-06% change) linmin: converged after 4 iterations. iteration 1428: trace = 2.393043056058448 (4.45048e-07% change) linmin: converged after 4 iterations. iteration 1429: trace = 2.393043039632064 (6.86422e-07% change) linmin: converged after 8 iterations. iteration 1430: trace = 2.393043027183602 (5.20194e-07% change) linmin: converged after 7 iterations. iteration 1431: trace = 2.393043008271917 (7.90278e-07% change) linmin: converged after 4 iterations. iteration 1432: trace = 2.39304298706774 (8.86076e-07% change) linmin: converged after 4 iterations. iteration 1433: trace = 2.393042975421163 (4.86685e-07% change) large trace change predicted (1.02001e-06%) linmin: converged after 4 iterations. iteration 1434: trace = 2.393042951012751 (1.01997e-06% change) linmin: converged after 4 iterations. iteration 1435: trace = 2.393042942802929 (3.4307e-07% change) large trace change predicted (1.14417e-06%) linmin: converged after 4 iterations. iteration 1436: trace = 2.393042915422527 (1.14417e-06% change) linmin: converged after 4 iterations. iteration 1437: trace = 2.393042901946042 (5.63153e-07% change) linmin: converged after 4 iterations. iteration 1438: trace = 2.393042881506296 (8.54132e-07% change) linmin: converged after 6 iterations. iteration 1439: trace = 2.393042848905756 (1.3623e-06% change) linmin: converged after 4 iterations. iteration 1440: trace = 2.393042831795804 (7.14987e-07% change) large trace change predicted (1.90196e-06%) linmin: converged after 4 iterations. iteration 1441: trace = 2.393042786282017 (1.90192e-06% change) linmin: converged after 5 iterations. iteration 1442: trace = 2.393042762916123 (9.76409e-07% change) large trace change predicted (2.96397e-06%) linmin: converged after 4 iterations. iteration 1443: trace = 2.393042691987336 (2.96396e-06% change) linmin: converged after 4 iterations. iteration 1444: trace = 2.393042661584713 (1.27046e-06% change) linmin: converged after 6 iterations. iteration 1445: trace = 2.393042635600736 (1.08581e-06% change) linmin: converged after 4 iterations. iteration 1446: trace = 2.393042584170177 (2.14917e-06% change) linmin: converged after 7 iterations. iteration 1447: trace = 2.393042571609209 (5.24895e-07% change) linmin: converged after 5 iterations. iteration 1448: trace = 2.39304254672289 (1.03994e-06% change) linmin: converged after 4 iterations. iteration 1449: trace = 2.393042537491473 (3.85761e-07% change) linmin: converged after 4 iterations. iteration 1450: trace = 2.393042523151057 (5.99255e-07% change) linmin: converged after 4 iterations. iteration 1451: trace = 2.393042515401576 (3.23834e-07% change) linmin: converged after 5 iterations. iteration 1452: trace = 2.393042508762096 (2.77449e-07% change) linmin: converged after 5 iterations. iteration 1453: trace = 2.393042498119603 (4.44726e-07% change) linmin: converged after 4 iterations. iteration 1454: trace = 2.393042495550245 (1.07368e-07% change) large trace change predicted (3.63934e-07%) linmin: converged after 4 iterations. iteration 1455: trace = 2.393042486840826 (3.63948e-07% change) linmin: converged after 15 iterations. iteration 1456: trace = 2.393042482976052 (1.615e-07% change) large trace change predicted (4.02781e-07%) linmin: converged after 4 iterations. iteration 1457: trace = 2.393042473337595 (4.0277e-07% change) linmin: converged after 4 iterations. iteration 1458: trace = 2.393042466889655 (2.69445e-07% change) large trace change predicted (6.96831e-07%) linmin: converged after 6 iterations. iteration 1459: trace = 2.393042450214296 (6.96827e-07% change) linmin: converged after 13 iterations. iteration 1460: trace = 2.393042435095394 (6.31786e-07% change) large trace change predicted (1.29455e-06%) linmin: converged after 4 iterations. iteration 1461: trace = 2.393042404115828 (1.29457e-06% change) linmin: converged after 4 iterations. iteration 1462: trace = 2.393042360797549 (1.81018e-06% change) linmin: converged after 5 iterations. iteration 1463: trace = 2.393042331725098 (1.21487e-06% change) large trace change predicted (2.61606e-06%) linmin: converged after 4 iterations. iteration 1464: trace = 2.3930422691221 (2.61604e-06% change) linmin: converged after 4 iterations. iteration 1465: trace = 2.393042245090208 (1.00424e-06% change) linmin: converged after 4 iterations. iteration 1466: trace = 2.393042202360237 (1.78559e-06% change) linmin: converged after 4 iterations. iteration 1467: trace = 2.393042186873802 (6.47144e-07% change) linmin: converged after 4 iterations. iteration 1468: trace = 2.393042159970332 (1.12424e-06% change) linmin: converged after 7 iterations. iteration 1469: trace = 2.393042147368954 (5.26584e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1470: trace = 2.393042136548106 (4.5218e-07% change) linmin: converged after 5 iterations. iteration 1471: trace = 2.393042120431873 (6.73462e-07% change) linmin: converged after 13 iterations. iteration 1472: trace = 2.393042100687925 (8.25056e-07% change) linmin: converged after 10 iterations. iteration 1473: trace = 2.393042086277536 (6.02179e-07% change) large trace change predicted (1.28027e-06%) linmin: converged after 11 iterations. iteration 1474: trace = 2.393042055640114 (1.28027e-06% change) linmin: converged after 4 iterations. iteration 1475: trace = 2.393042046666956 (3.74969e-07% change) large trace change predicted (1.10879e-06%) linmin: converged after 4 iterations. iteration 1476: trace = 2.393042020132585 (1.10881e-06% change) linmin: converged after 6 iterations. iteration 1477: trace = 2.393042014240082 (2.46235e-07% change) large trace change predicted (5.5522e-07%) linmin: converged after 4 iterations. iteration 1478: trace = 2.393042000952688 (5.55251e-07% change) linmin: converged after 9 iterations. iteration 1479: trace = 2.393041993325322 (3.18731e-07% change) linmin: converged after 4 iterations. iteration 1480: trace = 2.393041985948087 (3.08279e-07% change) large trace change predicted (6.94694e-07%) linmin: converged after 5 iterations. iteration 1481: trace = 2.393041969323515 (6.94705e-07% change) linmin: converged after 4 iterations. iteration 1482: trace = 2.39304195675522 (5.25202e-07% change) large trace change predicted (1.11844e-06%) linmin: converged after 3 iterations. iteration 1483: trace = 2.393041929990341 (1.11845e-06% change) linmin: converged after 6 iterations. iteration 1484: trace = 2.393041881010526 (2.04676e-06% change) linmin: converged after 4 iterations. iteration 1485: trace = 2.393041865018243 (6.68283e-07% change) large trace change predicted (1.95539e-06%) linmin: converged after 4 iterations. iteration 1486: trace = 2.393041818225622 (1.95536e-06% change) linmin: converged after 4 iterations. iteration 1487: trace = 2.393041786233193 (1.33689e-06% change) linmin: converged after 4 iterations. iteration 1488: trace = 2.393041764731115 (8.98525e-07% change) linmin: converged after 4 iterations. iteration 1489: trace = 2.393041732595506 (1.34288e-06% change) linmin: converged after 5 iterations. iteration 1490: trace = 2.393041726403632 (2.58745e-07% change) large trace change predicted (6.73454e-07%) linmin: converged after 4 iterations. iteration 1491: trace = 2.393041710287322 (6.73465e-07% change) linmin: converged after 3 iterations. iteration 1492: trace = 2.39304170358024 (2.80274e-07% change) linmin: converged after 4 iterations. iteration 1493: trace = 2.39304169836967 (2.17738e-07% change) linmin: converged after 4 iterations. iteration 1494: trace = 2.393041688544389 (4.10577e-07% change) linmin: converged after 4 iterations. iteration 1495: trace = 2.39304168054873 (3.34121e-07% change) linmin: converged after 4 iterations. iteration 1496: trace = 2.393041670164577 (4.33931e-07% change) linmin: converged after 4 iterations. iteration 1497: trace = 2.393041649895999 (8.4698e-07% change) linmin: converged after 3 iterations. iteration 1498: trace = 2.393041641532912 (3.49475e-07% change) large trace change predicted (9.06592e-07%) linmin: converged after 6 iterations. iteration 1499: trace = 2.393041619837381 (9.06609e-07% change) linmin: converged after 7 iterations. iteration 1500: trace = 2.393041593964983 (1.08115e-06% change) linmin: converged after 4 iterations. iteration 1501: trace = 2.393041575070336 (7.89566e-07% change) large trace change predicted (1.57987e-06%) linmin: converged after 7 iterations. iteration 1502: trace = 2.393041537263086 (1.57988e-06% change) linmin: converged after 4 iterations. iteration 1503: trace = 2.393041525101689 (5.08198e-07% change) large trace change predicted (2.48299e-06%) linmin: converged after 5 iterations. iteration 1504: trace = 2.393041465681474 (2.48304e-06% change) linmin: converged after 4 iterations. iteration 1505: trace = 2.393041434254244 (1.31328e-06% change) linmin: converged after 4 iterations. iteration 1506: trace = 2.393041385020626 (2.05737e-06% change) linmin: converged after 4 iterations. iteration 1507: trace = 2.393041340422551 (1.86366e-06% change) linmin: converged after 4 iterations. iteration 1508: trace = 2.393041326245856 (5.92413e-07% change) large trace change predicted (1.18774e-06%) linmin: converged after 5 iterations. iteration 1509: trace = 2.393041297822866 (1.18774e-06% change) linmin: converged after 4 iterations. iteration 1510: trace = 2.393041288709364 (3.80833e-07% change) linmin: converged after 15 iterations. iteration 1511: trace = 2.393041272254406 (6.87617e-07% change) linmin: converged after 4 iterations. iteration 1512: trace = 2.393041265101723 (2.98895e-07% change) linmin: converged after 4 iterations. iteration 1513: trace = 2.393041254927728 (4.25149e-07% change) linmin: converged after 4 iterations. iteration 1514: trace = 2.393041246505341 (3.51953e-07% change) linmin: converged after 4 iterations. iteration 1515: trace = 2.393041239630398 (2.87289e-07% change) large trace change predicted (9.37233e-07%) linmin: converged after 4 iterations. iteration 1516: trace = 2.39304121720214 (9.37228e-07% change) linmin: converged after 4 iterations. iteration 1517: trace = 2.393041209533915 (3.20438e-07% change) large trace change predicted (2.15833e-06%) linmin: converged after 4 iterations. iteration 1518: trace = 2.393041157884193 (2.15833e-06% change) linmin: converged after 4 iterations. iteration 1519: trace = 2.393041143204537 (6.13431e-07% change) linmin: converged after 5 iterations. iteration 1520: trace = 2.393041117377532 (1.07925e-06% change) linmin: converged after 5 iterations. iteration 1521: trace = 2.393041086670575 (1.28318e-06% change) linmin: converged after 4 iterations. iteration 1522: trace = 2.393041071073566 (6.51765e-07% change) large trace change predicted (1.91148e-06%) linmin: converged after 4 iterations. iteration 1523: trace = 2.393041025330543 (1.9115e-06% change) linmin: converged after 11 iterations. iteration 1524: trace = 2.393041014386847 (4.57313e-07% change) large trace change predicted (1.44187e-06%) linmin: converged after 2 iterations. iteration 1525: trace = 2.393040979882485 (1.44186e-06% change) linmin: converged after 8 iterations. iteration 1526: trace = 2.393040972922209 (2.90855e-07% change) linmin: converged after 9 iterations. iteration 1527: trace = 2.393040959635565 (5.5522e-07% change) linmin: converged after 4 iterations. iteration 1528: trace = 2.393040948763026 (4.5434e-07% change) linmin: converged after 11 iterations. iteration 1529: trace = 2.393040929348199 (8.11304e-07% change) linmin: converged after 6 iterations. iteration 1530: trace = 2.393040912492855 (7.04348e-07% change) linmin: converged after 4 iterations. iteration 1531: trace = 2.393040904353395 (3.4013e-07% change) linmin: converged after 4 iterations. iteration 1532: trace = 2.393040895074797 (3.87733e-07% change) linmin: converged after 7 iterations. iteration 1533: trace = 2.393040887966783 (2.97029e-07% change) linmin: converged after 4 iterations. iteration 1534: trace = 2.39304088473714 (1.3496e-07% change) linmin: converged after 4 iterations. iteration 1535: trace = 2.393040879782963 (2.07024e-07% change) linmin: converged after 4 iterations. iteration 1536: trace = 2.393040875433655 (1.81748e-07% change) linmin: converged after 4 iterations. iteration 1537: trace = 2.393040870054897 (2.24767e-07% change) linmin: converged after 6 iterations. iteration 1538: trace = 2.393040868133536 (8.02895e-08% change) large trace change predicted (5.60159e-07%) linmin: converged after 6 iterations. iteration 1539: trace = 2.393040854728649 (5.60161e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1540: trace = 2.393040846794583 (3.31547e-07% change) linmin: converged after 4 iterations. iteration 1541: trace = 2.393040839758284 (2.94032e-07% change) linmin: converged after 4 iterations. iteration 1542: trace = 2.39304083543161 (1.80802e-07% change) linmin: converged after 5 iterations. iteration 1543: trace = 2.393040830813279 (1.9299e-07% change) linmin: converged after 9 iterations. iteration 1544: trace = 2.393040822632801 (3.41844e-07% change) linmin: converged after 4 iterations. iteration 1545: trace = 2.393040820074101 (1.06923e-07% change) large trace change predicted (4.14473e-07%) linmin: converged after 4 iterations. iteration 1546: trace = 2.393040810155397 (4.14481e-07% change) linmin: converged after 4 iterations. iteration 1547: trace = 2.393040806324217 (1.60097e-07% change) large trace change predicted (6.23616e-07%) linmin: converged after 4 iterations. iteration 1548: trace = 2.393040791400556 (6.23628e-07% change) linmin: converged after 4 iterations. iteration 1549: trace = 2.393040783576778 (3.26939e-07% change) large trace change predicted (6.86578e-07%) linmin: converged after 4 iterations. iteration 1550: trace = 2.393040767146828 (6.86572e-07% change) linmin: converged after 6 iterations. iteration 1551: trace = 2.393040755370885 (4.92091e-07% change) linmin: converged after 4 iterations. iteration 1552: trace = 2.393040745746947 (4.02164e-07% change) large trace change predicted (9.1558e-07%) linmin: converged after 4 iterations. iteration 1553: trace = 2.393040723837213 (9.1556e-07% change) linmin: converged after 14 iterations. iteration 1554: trace = 2.393040712715856 (4.64737e-07% change) large trace change predicted (1.22891e-06%) linmin: converged after 4 iterations. iteration 1555: trace = 2.393040683307668 (1.2289e-06% change) linmin: converged after 4 iterations. iteration 1556: trace = 2.39304067525139 (3.36654e-07% change) large trace change predicted (9.39644e-07%) linmin: converged after 4 iterations. iteration 1557: trace = 2.393040652765202 (9.39649e-07% change) linmin: converged after 4 iterations. iteration 1558: trace = 2.393040635201327 (7.33956e-07% change) linmin: converged after 4 iterations. iteration 1559: trace = 2.393040616804273 (7.68773e-07% change) linmin: converged after 4 iterations. iteration 1560: trace = 2.393040588653364 (1.17637e-06% change) linmin: converged after 13 iterations. iteration 1561: trace = 2.393040576846696 (4.93375e-07% change) linmin: converged after 4 iterations. iteration 1562: trace = 2.393040562742854 (5.89369e-07% change) linmin: converged after 16 iterations. iteration 1563: trace = 2.393040558864877 (1.62052e-07% change) linmin: converged after 8 iterations. iteration 1564: trace = 2.393040551966171 (2.88282e-07% change) linmin: converged after 4 iterations. iteration 1565: trace = 2.393040545470763 (2.71429e-07% change) linmin: converged after 9 iterations. iteration 1566: trace = 2.393040539815847 (2.36307e-07% change) linmin: converged after 13 iterations. iteration 1567: trace = 2.39304052929807 (4.39515e-07% change) linmin: converged after 4 iterations. iteration 1568: trace = 2.393040525338454 (1.65464e-07% change) large trace change predicted (5.71985e-07%) linmin: converged after 17 iterations. iteration 1569: trace = 2.393040511650633 (5.71985e-07% change) linmin: converged after 7 iterations. iteration 1570: trace = 2.393040503011514 (3.6101e-07% change) linmin: converged after 4 iterations. iteration 1571: trace = 2.393040489915184 (5.47267e-07% change) large trace change predicted (1.32425e-06%) linmin: converged after 4 iterations. iteration 1572: trace = 2.393040458225228 (1.32425e-06% change) linmin: converged after 7 iterations. iteration 1573: trace = 2.393040447293773 (4.56802e-07% change) large trace change predicted (1.44134e-06%) linmin: converged after 4 iterations. iteration 1574: trace = 2.393040412802363 (1.44132e-06% change) linmin: converged after 4 iterations. iteration 1575: trace = 2.393040405226142 (3.16594e-07% change) large trace change predicted (8.9362e-07%) linmin: converged after 4 iterations. iteration 1576: trace = 2.393040383841121 (8.93634e-07% change) linmin: converged after 4 iterations. iteration 1577: trace = 2.393040378425415 (2.26311e-07% change) linmin: converged after 3 iterations. iteration 1578: trace = 2.393040368090171 (4.31888e-07% change) linmin: converged after 4 iterations. iteration 1579: trace = 2.393040362721061 (2.24364e-07% change) linmin: converged after 4 iterations. iteration 1580: trace = 2.393040355559958 (2.99247e-07% change) linmin: converged after 4 iterations. iteration 1581: trace = 2.393040349616177 (2.48378e-07% change) linmin: converged after 4 iterations. iteration 1582: trace = 2.393040342680266 (2.89837e-07% change) linmin: converged after 4 iterations. iteration 1583: trace = 2.393040339779458 (1.21218e-07% change) large trace change predicted (2.53118e-07%) linmin: converged after 4 iterations. iteration 1584: trace = 2.393040333722471 (2.53108e-07% change) linmin: converged after 4 iterations. iteration 1585: trace = 2.393040332403908 (5.50999e-08% change) large trace change predicted (1.17414e-07%) linmin: converged after 3 iterations. iteration 1586: trace = 2.39304032959441 (1.17403e-07% change) linmin: converged after 4 iterations. iteration 1587: trace = 2.393040327573919 (8.4432e-08% change) linmin: converged after 5 iterations. iteration 1588: trace = 2.393040324923278 (1.10765e-07% change) linmin: converged after 9 iterations. iteration 1589: trace = 2.393040321174981 (1.56633e-07% change) linmin: converged after 4 iterations. iteration 1590: trace = 2.39304031728698 (1.62471e-07% change) large trace change predicted (3.43055e-07%) linmin: converged after 7 iterations. iteration 1591: trace = 2.393040309077787 (3.43044e-07% change) linmin: converged after 4 iterations. iteration 1592: trace = 2.39304030319758 (2.45721e-07% change) large trace change predicted (5.00735e-07%) linmin: converged after 7 iterations. iteration 1593: trace = 2.393040291214803 (5.00734e-07% change) linmin: converged after 4 iterations. iteration 1594: trace = 2.393040285657796 (2.32215e-07% change) large trace change predicted (7.5518e-07%) linmin: converged after 4 iterations. iteration 1595: trace = 2.39304026758619 (7.55174e-07% change) linmin: converged after 5 iterations. iteration 1596: trace = 2.393040260156152 (3.10485e-07% change) linmin: converged after 5 iterations. iteration 1597: trace = 2.39304024849246 (4.87401e-07% change) linmin: converged after 5 iterations. iteration 1598: trace = 2.393040241879537 (2.7634e-07% change) linmin: converged after 4 iterations. iteration 1599: trace = 2.393040233351875 (3.56353e-07% change) linmin: converged after 4 iterations. iteration 1600: trace = 2.393040228954549 (1.83755e-07% change) linmin: converged after 5 iterations. iteration 1601: trace = 2.393040225950311 (1.25541e-07% change) linmin: converged after 4 iterations. iteration 1602: trace = 2.393040222668372 (1.37145e-07% change) linmin: converged after 4 iterations. iteration 1603: trace = 2.393040221259799 (5.88612e-08% change) large trace change predicted (1.7018e-07%) linmin: converged after 5 iterations. iteration 1604: trace = 2.393040217187468 (1.70174e-07% change) linmin: converged after 4 iterations. iteration 1605: trace = 2.393040215517221 (6.9796e-08% change) large trace change predicted (3.49481e-07%) linmin: converged after 5 iterations. iteration 1606: trace = 2.393040207153975 (3.49482e-07% change) linmin: converged after 4 iterations. iteration 1607: trace = 2.393040202462497 (1.96047e-07% change) linmin: converged after 4 iterations. iteration 1608: trace = 2.393040195280202 (3.00133e-07% change) linmin: converged after 8 iterations. iteration 1609: trace = 2.393040189667386 (2.34547e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1610: trace = 2.39304018718256 (1.03836e-07% change) linmin: converged after 9 iterations. iteration 1611: trace = 2.393040182931914 (1.77625e-07% change) linmin: converged after 4 iterations. iteration 1612: trace = 2.393040178208604 (1.97377e-07% change) linmin: converged after 4 iterations. iteration 1613: trace = 2.393040175099676 (1.29915e-07% change) linmin: converged after 4 iterations. iteration 1614: trace = 2.393040169009963 (2.54476e-07% change) linmin: converged after 3 iterations. iteration 1615: trace = 2.39304016378598 (2.18299e-07% change) linmin: converged after 4 iterations. iteration 1616: trace = 2.393040160235442 (1.48369e-07% change) linmin: converged after 4 iterations. iteration 1617: trace = 2.39304015486111 (2.24582e-07% change) linmin: converged after 3 iterations. iteration 1618: trace = 2.39304015328522 (6.5853e-08% change) large trace change predicted (1.99454e-07%) linmin: converged after 8 iterations. iteration 1619: trace = 2.393040148512031 (1.99461e-07% change) linmin: converged after 3 iterations. iteration 1620: trace = 2.393040146285257 (9.30521e-08% change) linmin: converged after 8 iterations. iteration 1621: trace = 2.393040143599275 (1.12241e-07% change) large trace change predicted (3.1216e-07%) linmin: converged after 4 iterations. iteration 1622: trace = 2.393040136129033 (3.12165e-07% change) linmin: converged after 6 iterations. iteration 1623: trace = 2.393040131772109 (1.82066e-07% change) large trace change predicted (7.17307e-07%) linmin: converged after 5 iterations. iteration 1624: trace = 2.393040114606595 (7.1731e-07% change) linmin: converged after 4 iterations. iteration 1625: trace = 2.393040103331501 (4.71162e-07% change) linmin: converged after 4 iterations. iteration 1626: trace = 2.393040090893176 (5.19771e-07% change) linmin: converged after 12 iterations. iteration 1627: trace = 2.393040085166731 (2.39296e-07% change) linmin: converged after 4 iterations. iteration 1628: trace = 2.393040082167952 (1.25313e-07% change) linmin: converged after 4 iterations. iteration 1629: trace = 2.393040077925505 (1.77283e-07% change) linmin: converged after 4 iterations. iteration 1630: trace = 2.393040077041571 (3.69377e-08% change) large trace change predicted (1.20255e-07%) linmin: converged after 4 iterations. iteration 1631: trace = 2.393040074163912 (1.20251e-07% change) linmin: converged after 5 iterations. iteration 1632: trace = 2.393040073018217 (4.78761e-08% change) large trace change predicted (1.5778e-07%) linmin: converged after 4 iterations. iteration 1633: trace = 2.393040069242464 (1.57781e-07% change) linmin: converged after 4 iterations. iteration 1634: trace = 2.393040066056172 (1.33148e-07% change) linmin: converged after 7 iterations. iteration 1635: trace = 2.393040064186434 (7.81323e-08% change) large trace change predicted (2.17729e-07%) linmin: converged after 4 iterations. iteration 1636: trace = 2.393040058975924 (2.17736e-07% change) linmin: converged after 18 iterations. iteration 1637: trace = 2.393040056631994 (9.79478e-08% change) large trace change predicted (2.06355e-07%) linmin: converged after 21 iterations. iteration 1638: trace = 2.393040051693809 (2.06356e-07% change) linmin: converged after 7 iterations. iteration 1639: trace = 2.393040044919326 (2.83091e-07% change) linmin: converged after 4 iterations. iteration 1640: trace = 2.393040038455272 (2.70119e-07% change) large trace change predicted (6.5649e-07%) linmin: converged after 4 iterations. iteration 1641: trace = 2.393040022745184 (6.56491e-07% change) linmin: converged after 4 iterations. iteration 1642: trace = 2.393040017785466 (2.07256e-07% change) large trace change predicted (5.7597e-07%) linmin: converged after 13 iterations. iteration 1643: trace = 2.393040004001944 (5.75984e-07% change) linmin: converged after 4 iterations. iteration 1644: trace = 2.393039992584766 (4.77099e-07% change) linmin: converged after 8 iterations. iteration 1645: trace = 2.393039986722047 (2.4499e-07% change) large trace change predicted (6.18843e-07%) linmin: converged after 4 iterations. iteration 1646: trace = 2.393039971912742 (6.18849e-07% change) linmin: converged after 4 iterations. iteration 1647: trace = 2.393039968652185 (1.36252e-07% change) large trace change predicted (4.0906e-07%) linmin: converged after 4 iterations. iteration 1648: trace = 2.393039958862991 (4.09069e-07% change) linmin: converged after 4 iterations. iteration 1649: trace = 2.393039955687987 (1.32677e-07% change) linmin: converged after 4 iterations. iteration 1650: trace = 2.393039952499427 (1.33243e-07% change) linmin: converged after 17 iterations. iteration 1651: trace = 2.393039948875656 (1.5143e-07% change) linmin: converged after 15 iterations. iteration 1652: trace = 2.393039947780938 (4.57459e-08% change) large trace change predicted (1.43921e-07%) linmin: converged after 8 iterations. iteration 1653: trace = 2.393039944337343 (1.439e-07% change) linmin: converged after 4 iterations. iteration 1654: trace = 2.393039940819313 (1.47011e-07% change) linmin: converged after 4 iterations. iteration 1655: trace = 2.393039933794701 (2.93543e-07% change) linmin: converged after 11 iterations. iteration 1656: trace = 2.393039926019022 (3.24929e-07% change) linmin: converged after 3 iterations. iteration 1657: trace = 2.393039918181645 (3.27507e-07% change) linmin: converged after 3 iterations. iteration 1658: trace = 2.393039904667981 (5.64707e-07% change) linmin: converged after 4 iterations. iteration 1659: trace = 2.39303989890842 (2.4068e-07% change) linmin: converged after 6 iterations. iteration 1660: trace = 2.39303989132106 (3.1706e-07% change) linmin: converged after 5 iterations. iteration 1661: trace = 2.393039883645333 (3.20752e-07% change) linmin: converged after 4 iterations. iteration 1662: trace = 2.393039879392801 (1.77704e-07% change) linmin: converged after 4 iterations. iteration 1663: trace = 2.393039872002189 (3.08838e-07% change) linmin: converged after 6 iterations. iteration 1664: trace = 2.393039869276012 (1.13921e-07% change) large trace change predicted (2.59296e-07%) linmin: converged after 4 iterations. iteration 1665: trace = 2.393039863070807 (2.59302e-07% change) linmin: converged after 4 iterations. iteration 1666: trace = 2.393039858189046 (2.03998e-07% change) linmin: converged after 5 iterations. iteration 1667: trace = 2.393039856356828 (7.65645e-08% change) large trace change predicted (2.25229e-07%) linmin: converged after 4 iterations. iteration 1668: trace = 2.393039850966869 (2.25235e-07% change) linmin: converged after 4 iterations. iteration 1669: trace = 2.393039849961905 (4.19953e-08% change) large trace change predicted (1.31283e-07%) linmin: converged after 4 iterations. iteration 1670: trace = 2.393039846820505 (1.31272e-07% change) linmin: converged after 4 iterations. iteration 1671: trace = 2.393039844534271 (9.55368e-08% change) linmin: converged after 4 iterations. iteration 1672: trace = 2.393039843655392 (3.67265e-08% change) large trace change predicted (9.20826e-08%) linmin: converged after 4 iterations. iteration 1673: trace = 2.393039841451974 (9.20761e-08% change) linmin: converged after 6 iterations. iteration 1674: trace = 2.393039840143291 (5.4687e-08% change) large trace change predicted (2.01592e-07%) linmin: converged after 4 iterations. iteration 1675: trace = 2.393039835318635 (2.01612e-07% change) linmin: converged after 4 iterations. iteration 1676: trace = 2.393039832311233 (1.25673e-07% change) large trace change predicted (3.40831e-07%) linmin: converged after 4 iterations. iteration 1677: trace = 2.393039824154822 (3.40839e-07% change) large trace change predicted (9.72107e-07%) linmin: converged after 4 iterations. iteration 1678: trace = 2.393039800892087 (9.721e-07% change) linmin: converged after 7 iterations. iteration 1679: trace = 2.39303977955218 (8.91749e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1680: trace = 2.393039764010439 (6.49456e-07% change) linmin: converged after 4 iterations. iteration 1681: trace = 2.393039750055962 (5.83128e-07% change) linmin: converged after 4 iterations. iteration 1682: trace = 2.393039739693763 (4.33014e-07% change) linmin: converged after 4 iterations. iteration 1683: trace = 2.393039736613394 (1.28722e-07% change) linmin: converged after 4 iterations. iteration 1684: trace = 2.393039730625631 (2.50216e-07% change) linmin: converged after 4 iterations. iteration 1685: trace = 2.393039729934849 (2.88663e-08% change) large trace change predicted (7.98981e-08%) linmin: converged after 21 iterations. iteration 1686: trace = 2.393039728022628 (7.99076e-08% change) linmin: converged after 4 iterations. iteration 1687: trace = 2.39303972641626 (6.71267e-08% change) linmin: converged after 15 iterations. iteration 1688: trace = 2.393039725780088 (2.65842e-08% change) large trace change predicted (6.05568e-08%) linmin: converged after 4 iterations. iteration 1689: trace = 2.393039724331282 (6.05425e-08% change) linmin: converged after 5 iterations. iteration 1690: trace = 2.393039721840434 (1.04087e-07% change) linmin: converged after 4 iterations. iteration 1691: trace = 2.393039720421821 (5.92808e-08% change) large trace change predicted (1.84038e-07%) linmin: converged after 21 iterations. iteration 1692: trace = 2.393039716017662 (1.8404e-07% change) linmin: converged after 2 iterations. iteration 1693: trace = 2.393039713790926 (9.30505e-08% change) linmin: converged after 4 iterations. iteration 1694: trace = 2.393039710845707 (1.23074e-07% change) linmin: converged after 3 iterations. iteration 1695: trace = 2.393039707018541 (1.59929e-07% change) linmin: converged after 4 iterations. iteration 1696: trace = 2.393039704780546 (9.3521e-08% change) large trace change predicted (2.38218e-07%) linmin: converged after 4 iterations. iteration 1697: trace = 2.3930396990801 (2.38209e-07% change) linmin: converged after 4 iterations. iteration 1698: trace = 2.393039694084266 (2.08765e-07% change) linmin: converged after 4 iterations. iteration 1699: trace = 2.393039692247144 (7.67694e-08% change) large trace change predicted (2.55589e-07%) linmin: converged after 12 iterations. iteration 1700: trace = 2.393039686131317 (2.55567e-07% change) linmin: converged after 3 iterations. iteration 1701: trace = 2.393039682285895 (1.60692e-07% change) linmin: converged after 6 iterations. iteration 1702: trace = 2.39303967855377 (1.55957e-07% change) linmin: converged after 2 iterations. iteration 1703: trace = 2.393039673036079 (2.30572e-07% change) linmin: converged after 4 iterations. iteration 1704: trace = 2.393039671430901 (6.70769e-08% change) linmin: converged after 4 iterations. iteration 1705: trace = 2.393039668355911 (1.28497e-07% change) linmin: converged after 5 iterations. iteration 1706: trace = 2.393039667680652 (2.82176e-08% change) linmin: converged after 4 iterations. iteration 1707: trace = 2.393039666376056 (5.45163e-08% change) linmin: converged after 6 iterations. iteration 1708: trace = 2.393039665824615 (2.30435e-08% change) large trace change predicted (4.93479e-08%) linmin: converged after 12 iterations. iteration 1709: trace = 2.393039664643942 (4.93378e-08% change) linmin: converged after 5 iterations. iteration 1710: trace = 2.393039663040258 (6.70145e-08% change) linmin: converged after 6 iterations. iteration 1711: trace = 2.393039661111772 (8.05873e-08% change) linmin: converged after 4 iterations. iteration 1712: trace = 2.393039657473133 (1.52051e-07% change) linmin: converged after 4 iterations. iteration 1713: trace = 2.393039655456989 (8.42504e-08% change) large trace change predicted (2.23248e-07%) linmin: converged after 3 iterations. iteration 1714: trace = 2.393039650114785 (2.23239e-07% change) linmin: converged after 4 iterations. iteration 1715: trace = 2.393039647737429 (9.93446e-08% change) linmin: converged after 18 iterations. iteration 1716: trace = 2.393039643349094 (1.83379e-07% change) linmin: converged after 15 iterations. iteration 1717: trace = 2.393039639653405 (1.54435e-07% change) linmin: converged after 7 iterations. iteration 1718: trace = 2.39303963643279 (1.34583e-07% change) linmin: converged after 4 iterations. iteration 1719: trace = 2.393039632658464 (1.57721e-07% change) linmin: converged after 9 iterations. iteration 1720: trace = 2.393039631218924 (6.01553e-08% change) large trace change predicted (1.30652e-07%) linmin: converged after 3 iterations. iteration 1721: trace = 2.393039628092728 (1.30637e-07% change) linmin: converged after 2 iterations. iteration 1722: trace = 2.393039627286453 (3.36925e-08% change) linmin: converged after 4 iterations. iteration 1723: trace = 2.393039625736548 (6.47672e-08% change) linmin: converged after 24 iterations. iteration 1724: trace = 2.393039624649981 (4.54053e-08% change) linmin: converged after 7 iterations. iteration 1725: trace = 2.393039623860726 (3.29813e-08% change) linmin: converged after 4 iterations. iteration 1726: trace = 2.39303962257965 (5.35334e-08% change) linmin: converged after 4 iterations. iteration 1727: trace = 2.39303962206265 (2.16043e-08% change) linmin: converged after 9 iterations. iteration 1728: trace = 2.393039621317967 (3.11187e-08% change) linmin: converged after 4 iterations. iteration 1729: trace = 2.393039620836857 (2.01045e-08% change) linmin: converged after 4 iterations. iteration 1730: trace = 2.393039620220901 (2.57395e-08% change) linmin: converged after 12 iterations. iteration 1731: trace = 2.393039619854805 (1.52984e-08% change) large trace change predicted (5.47441e-08%) linmin: converged after 15 iterations. iteration 1732: trace = 2.39303961854509 (5.47302e-08% change) linmin: converged after 6 iterations. iteration 1733: trace = 2.393039617970964 (2.39915e-08% change) large trace change predicted (8.7852e-08%) linmin: converged after 6 iterations. iteration 1734: trace = 2.393039615868747 (8.78472e-08% change) linmin: converged after 4 iterations. iteration 1735: trace = 2.393039614439605 (5.97208e-08% change) large trace change predicted (1.21435e-07%) linmin: converged after 8 iterations. iteration 1736: trace = 2.393039611533673 (1.21433e-07% change) linmin: converged after 4 iterations. iteration 1737: trace = 2.393039609270611 (9.45685e-08% change) linmin: converged after 4 iterations. iteration 1738: trace = 2.393039605687984 (1.4971e-07% change) linmin: converged after 4 iterations. iteration 1739: trace = 2.393039604795215 (3.73069e-08% change) large trace change predicted (1.06678e-07%) linmin: converged after 3 iterations. iteration 1740: trace = 2.393039602242241 (1.06683e-07% change) linmin: converged after 8 iterations. iteration 1741: trace = 2.393039601477468 (3.19582e-08% change) linmin: converged after 4 iterations. iteration 1742: trace = 2.393039600237158 (5.18299e-08% change) linmin: converged after 7 iterations. iteration 1743: trace = 2.393039599567867 (2.79682e-08% change) linmin: converged after 5 iterations. iteration 1744: trace = 2.393039599073902 (2.06418e-08% change) linmin: converged after 3 iterations. iteration 1745: trace = 2.393039598422529 (2.72195e-08% change) linmin: converged after 8 iterations. iteration 1746: trace = 2.393039598036147 (1.61461e-08% change) large trace change predicted (4.51394e-08%) linmin: converged after 8 iterations. iteration 1747: trace = 2.393039596956115 (4.51322e-08% change) linmin: converged after 14 iterations. iteration 1748: trace = 2.393039596321787 (2.65072e-08% change) large trace change predicted (7.90315e-08%) linmin: converged after 15 iterations. iteration 1749: trace = 2.393039594430727 (7.90233e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1750: trace = 2.393039593907173 (2.18782e-08% change) linmin: converged after 4 iterations. iteration 1751: trace = 2.393039593420764 (2.0326e-08% change) linmin: converged after 4 iterations. iteration 1752: trace = 2.39303959273847 (2.85116e-08% change) linmin: converged after 3 iterations. iteration 1753: trace = 2.393039592362321 (1.57185e-08% change) linmin: converged after 3 iterations. iteration 1754: trace = 2.393039591834003 (2.20773e-08% change) large trace change predicted (5.85305e-08%) linmin: converged after 18 iterations. iteration 1755: trace = 2.393039590433271 (5.85336e-08% change) linmin: converged after 4 iterations. iteration 1756: trace = 2.393039590085956 (1.45136e-08% change) large trace change predicted (7.01621e-08%) linmin: converged after 5 iterations. iteration 1757: trace = 2.393039588406655 (7.01744e-08% change) linmin: converged after 16 iterations. iteration 1758: trace = 2.393039586857253 (6.47462e-08% change) linmin: converged after 4 iterations. iteration 1759: trace = 2.393039586270855 (2.45043e-08% change) large trace change predicted (6.00454e-08%) linmin: converged after 4 iterations. iteration 1760: trace = 2.393039584833722 (6.00547e-08% change) linmin: converged after 12 iterations. iteration 1761: trace = 2.393039583698161 (4.74526e-08% change) linmin: converged after 4 iterations. iteration 1762: trace = 2.393039583088097 (2.54933e-08% change) large trace change predicted (1.17534e-07%) linmin: converged after 4 iterations. iteration 1763: trace = 2.393039580275759 (1.17522e-07% change) linmin: converged after 4 iterations. iteration 1764: trace = 2.393039579470448 (3.36522e-08% change) large trace change predicted (1.21013e-07%) linmin: converged after 3 iterations. iteration 1765: trace = 2.393039576574571 (1.21013e-07% change) linmin: converged after 18 iterations. iteration 1766: trace = 2.393039575236267 (5.59249e-08% change) linmin: converged after 24 iterations. iteration 1767: trace = 2.39303957429082 (3.95082e-08% change) linmin: converged after 15 iterations. iteration 1768: trace = 2.393039572447418 (7.70318e-08% change) linmin: converged after 4 iterations. iteration 1769: trace = 2.393039571723361 (3.02568e-08% change) linmin: converged after 13 iterations. iteration 1770: trace = 2.393039570725867 (4.16831e-08% change) linmin: converged after 4 iterations. iteration 1771: trace = 2.393039570156724 (2.37833e-08% change) linmin: converged after 4 iterations. iteration 1772: trace = 2.393039569973194 (7.66929e-09% change) large trace change predicted (1.97065e-08%) linmin: converged after 4 iterations. iteration 1773: trace = 2.393039569501248 (1.97216e-08% change) linmin: converged after 6 iterations. iteration 1774: trace = 2.393039568825229 (2.82494e-08% change) linmin: converged after 4 iterations. iteration 1775: trace = 2.39303956850532 (1.33683e-08% change) large trace change predicted (7.00244e-08%) linmin: converged after 3 iterations. iteration 1776: trace = 2.393039566829835 (7.0015e-08% change) linmin: converged after 8 iterations. iteration 1777: trace = 2.393039564616725 (9.24811e-08% change) linmin: converged after 4 iterations. iteration 1778: trace = 2.393039562203077 (1.00861e-07% change) linmin: converged after 4 iterations. iteration 1779: trace = 2.393039558363005 (1.60468e-07% change) linmin: converged after 4 iterations. iteration 1780: trace = 2.3930395566286 (7.24771e-08% change) linmin: converged after 4 iterations. iteration 1781: trace = 2.393039553776727 (1.19174e-07% change) linmin: converged after 5 iterations. iteration 1782: trace = 2.393039551186797 (1.08228e-07% change) linmin: converged after 4 iterations. iteration 1783: trace = 2.39303955064044 (2.28311e-08% change) large trace change predicted (8.77814e-08%) linmin: converged after 4 iterations. iteration 1784: trace = 2.393039548539862 (8.77787e-08% change) linmin: converged after 4 iterations. iteration 1785: trace = 2.393039547972618 (2.37039e-08% change) linmin: converged after 5 iterations. iteration 1786: trace = 2.393039546964365 (4.21328e-08% change) linmin: converged after 4 iterations. iteration 1787: trace = 2.393039545797441 (4.87633e-08% change) linmin: converged after 4 iterations. iteration 1788: trace = 2.393039545237163 (2.34128e-08% change) large trace change predicted (5.90909e-08%) linmin: converged after 5 iterations. iteration 1789: trace = 2.393039543822896 (5.90992e-08% change) linmin: converged after 12 iterations. iteration 1790: trace = 2.393039543032467 (3.30303e-08% change) linmin: converged after 4 iterations. iteration 1791: trace = 2.393039542577954 (1.89931e-08% change) linmin: converged after 8 iterations. iteration 1792: trace = 2.393039541763135 (3.40496e-08% change) linmin: converged after 6 iterations. iteration 1793: trace = 2.393039541043551 (3.00699e-08% change) linmin: converged after 4 iterations. iteration 1794: trace = 2.393039539963685 (4.51253e-08% change) large trace change predicted (1.10838e-07%) linmin: converged after 15 iterations. iteration 1795: trace = 2.393039537311493 (1.10829e-07% change) linmin: converged after 4 iterations. iteration 1796: trace = 2.393039536333442 (4.08707e-08% change) large trace change predicted (1.75768e-07%) linmin: converged after 5 iterations. iteration 1797: trace = 2.39303953212755 (1.75755e-07% change) linmin: converged after 9 iterations. iteration 1798: trace = 2.393039529326443 (1.17052e-07% change) linmin: converged after 4 iterations. iteration 1799: trace = 2.393039528185163 (4.76917e-08% change) linmin: converged after 4 iterations. iteration 1800: trace = 2.393039526870903 (5.49201e-08% change) linmin: converged after 4 iterations. iteration 1801: trace = 2.393039526155441 (2.98976e-08% change) linmin: converged after 3 iterations. iteration 1802: trace = 2.39303952518417 (4.05874e-08% change) linmin: converged after 5 iterations. iteration 1803: trace = 2.393039524266048 (3.83664e-08% change) linmin: converged after 5 iterations. iteration 1804: trace = 2.39303952384891 (1.74313e-08% change) linmin: converged after 4 iterations. iteration 1805: trace = 2.393039523062919 (3.28449e-08% change) linmin: converged after 4 iterations. iteration 1806: trace = 2.393039522721636 (1.42615e-08% change) linmin: converged after 3 iterations. iteration 1807: trace = 2.393039522211775 (2.1306e-08% change) linmin: converged after 6 iterations. iteration 1808: trace = 2.393039521398135 (3.40003e-08% change) linmin: converged after 6 iterations. iteration 1809: trace = 2.393039521165752 (9.71081e-09% change) large trace change predicted (3.80548e-08%) linmin: converged after 3 iterations. iteration 1810: trace = 2.3930395202551 (3.80542e-08% change) linmin: converged after 15 iterations. iteration 1811: trace = 2.393039519938909 (1.32129e-08% change) large trace change predicted (3.44102e-08%) linmin: converged after 13 iterations. iteration 1812: trace = 2.393039519115651 (3.44022e-08% change) linmin: converged after 3 iterations. iteration 1813: trace = 2.393039518426034 (2.88176e-08% change) linmin: converged after 15 iterations. iteration 1814: trace = 2.393039518035018 (1.63397e-08% change) large trace change predicted (1.68317e-07%) linmin: converged after 4 iterations. iteration 1815: trace = 2.393039514007436 (1.68304e-07% change) linmin: converged after 5 iterations. iteration 1816: trace = 2.393039512300944 (7.13106e-08% change) large trace change predicted (4.1775e-07%) linmin: converged after 4 iterations. iteration 1817: trace = 2.393039502304406 (4.17734e-07% change) linmin: converged after 4 iterations. iteration 1818: trace = 2.393039495015239 (3.04599e-07% change) linmin: converged after 9 iterations. iteration 1819: trace = 2.393039488570439 (2.69314e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1820: trace = 2.393039484081988 (1.87563e-07% change) linmin: converged after 22 iterations. iteration 1821: trace = 2.393039479568118 (1.88625e-07% change) linmin: converged after 5 iterations. iteration 1822: trace = 2.39303947350885 (2.53204e-07% change) linmin: converged after 4 iterations. iteration 1823: trace = 2.393039472501099 (4.21117e-08% change) large trace change predicted (1.00227e-07%) linmin: converged after 5 iterations. iteration 1824: trace = 2.393039470102659 (1.00226e-07% change) linmin: converged after 5 iterations. iteration 1825: trace = 2.393039469587826 (2.15138e-08% change) linmin: converged after 7 iterations. iteration 1826: trace = 2.393039469284597 (1.26713e-08% change) linmin: converged after 9 iterations. iteration 1827: trace = 2.393039468989501 (1.23314e-08% change) linmin: converged after 3 iterations. iteration 1828: trace = 2.393039468762381 (9.49086e-09% change) linmin: converged after 4 iterations. iteration 1829: trace = 2.393039468582002 (7.53763e-09% change) large trace change predicted (1.64284e-08%) linmin: converged after 4 iterations. iteration 1830: trace = 2.393039468188831 (1.64298e-08% change) linmin: converged after 3 iterations. iteration 1831: trace = 2.393039468077939 (4.63395e-09% change) large trace change predicted (1.58455e-08%) linmin: converged after 9 iterations. iteration 1832: trace = 2.393039467698462 (1.58575e-08% change) linmin: converged after 3 iterations. iteration 1833: trace = 2.393039467482168 (9.03845e-09% change) linmin: converged after 18 iterations. iteration 1834: trace = 2.393039467374841 (4.48495e-09% change) large trace change predicted (1.43701e-08%) linmin: converged after 4 iterations. iteration 1835: trace = 2.393039467030893 (1.43729e-08% change) linmin: converged after 3 iterations. iteration 1836: trace = 2.393039466657457 (1.56051e-08% change) linmin: converged after 4 iterations. iteration 1837: trace = 2.393039466447072 (8.7915e-09% change) large trace change predicted (2.66367e-08%) linmin: converged after 3 iterations. iteration 1838: trace = 2.393039465809741 (2.66327e-08% change) linmin: converged after 5 iterations. iteration 1839: trace = 2.393039465355733 (1.8972e-08% change) linmin: converged after 15 iterations. iteration 1840: trace = 2.393039464852271 (2.10386e-08% change) linmin: converged after 4 iterations. iteration 1841: trace = 2.393039463876717 (4.07663e-08% change) linmin: converged after 4 iterations. iteration 1842: trace = 2.393039463386607 (2.04806e-08% change) linmin: converged after 3 iterations. iteration 1843: trace = 2.39303946247426 (3.8125e-08% change) linmin: converged after 3 iterations. iteration 1844: trace = 2.393039461892562 (2.43079e-08% change) linmin: converged after 4 iterations. iteration 1845: trace = 2.39303946153948 (1.47545e-08% change) linmin: converged after 3 iterations. iteration 1846: trace = 2.393039461269766 (1.12708e-08% change) linmin: converged after 9 iterations. iteration 1847: trace = 2.393039461177974 (3.83582e-09% change) linmin: converged after 3 iterations. iteration 1848: trace = 2.393039461018711 (6.65523e-09% change) linmin: converged after 5 iterations. iteration 1849: trace = 2.3930394607626 (1.07023e-08% change) linmin: converged after 5 iterations. iteration 1850: trace = 2.393039460614487 (6.18931e-09% change) large trace change predicted (1.47165e-08%) linmin: converged after 12 iterations. iteration 1851: trace = 2.393039460262448 (1.4711e-08% change) linmin: converged after 4 iterations. iteration 1852: trace = 2.393039460137845 (5.20689e-09% change) large trace change predicted (1.17363e-08%) linmin: converged after 5 iterations. iteration 1853: trace = 2.393039459856961 (1.17375e-08% change) linmin: converged after 12 iterations. iteration 1854: trace = 2.393039459634852 (9.28148e-09% change) linmin: converged after 4 iterations. iteration 1855: trace = 2.393039459337167 (1.24396e-08% change) linmin: converged after 15 iterations. iteration 1856: trace = 2.393039458920251 (1.7422e-08% change) linmin: converged after 5 iterations. iteration 1857: trace = 2.393039458671261 (1.04048e-08% change) large trace change predicted (3.21123e-08%) linmin: converged after 3 iterations. iteration 1858: trace = 2.393039457902927 (3.2107e-08% change) linmin: converged after 5 iterations. iteration 1859: trace = 2.393039457625665 (1.15862e-08% change) large trace change predicted (3.00343e-08%) linmin: converged after 3 iterations. iteration 1860: trace = 2.393039456907079 (3.00282e-08% change) linmin: converged after 4 iterations. iteration 1861: trace = 2.393039456614725 (1.22168e-08% change) linmin: converged after 4 iterations. iteration 1862: trace = 2.393039456209651 (1.69272e-08% change) linmin: converged after 4 iterations. iteration 1863: trace = 2.393039455745036 (1.94152e-08% change) linmin: converged after 3 iterations. iteration 1864: trace = 2.393039455610807 (5.60915e-09% change) large trace change predicted (1.26266e-08%) linmin: converged after 4 iterations. iteration 1865: trace = 2.393039455308747 (1.26225e-08% change) linmin: converged after 4 iterations. iteration 1866: trace = 2.393039455241222 (2.82171e-09% change) large trace change predicted (6.66801e-09%) linmin: converged after 12 iterations. iteration 1867: trace = 2.393039455081451 (6.6765e-09% change) linmin: converged after 3 iterations. iteration 1868: trace = 2.393039455035793 (1.90796e-09% change) linmin: converged after 6 iterations. iteration 1869: trace = 2.393039454965693 (2.92931e-09% change) linmin: converged after 9 iterations. iteration 1870: trace = 2.39303945485351 (4.68789e-09% change) linmin: converged after 16 iterations. iteration 1871: trace = 2.393039454815288 (1.59723e-09% change) large trace change predicted (8.30957e-09%) linmin: converged after 4 iterations. iteration 1872: trace = 2.39303945461575 (8.33824e-09% change) linmin: converged after 4 iterations. iteration 1873: trace = 2.393039454542886 (3.04485e-09% change) large trace change predicted (1.46625e-08%) linmin: converged after 5 iterations. iteration 1874: trace = 2.393039454191828 (1.467e-08% change) linmin: converged after 4 iterations. iteration 1875: trace = 2.393039453902738 (1.20805e-08% change) linmin: converged after 8 iterations. iteration 1876: trace = 2.393039453663679 (9.98976e-09% change) large trace change predicted (2.14744e-08%) linmin: converged after 4 iterations. iteration 1877: trace = 2.393039453149391 (2.1491e-08% change) linmin: converged after 3 iterations. iteration 1878: trace = 2.393039453036628 (4.71215e-09% change) large trace change predicted (1.02485e-08%) linmin: converged after 6 iterations. iteration 1879: trace = 2.393039452791139 (1.02585e-08% change) linmin: converged after 3 iterations. iteration 1880: trace = 2.393039452714517 (3.20186e-09% change) linmin: converged after 9 iterations. iteration 1881: trace = 2.393039452573159 (5.90703e-09% change) linmin: converged after 9 iterations. iteration 1882: trace = 2.393039452507627 (2.73844e-09% change) linmin: converged after 4 iterations. iteration 1883: trace = 2.393039452386425 (5.06478e-09% change) linmin: converged after 3 iterations. iteration 1884: trace = 2.393039452227881 (6.62523e-09% change) linmin: converged after 15 iterations. iteration 1885: trace = 2.393039452127997 (4.17392e-09% change) linmin: converged after 12 iterations. iteration 1886: trace = 2.393039451946437 (7.58701e-09% change) linmin: converged after 6 iterations. iteration 1887: trace = 2.393039451900567 (1.91681e-09% change) large trace change predicted (4.3894e-09%) linmin: converged after 6 iterations. iteration 1888: trace = 2.393039451795502 (4.39044e-09% change) linmin: converged after 5 iterations. iteration 1889: trace = 2.393039451755762 (1.66064e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1890: trace = 2.393039451734298 (8.9696e-10% change) large trace change predicted (1.9434e-09%) linmin: converged after 4 iterations. iteration 1891: trace = 2.3930394516882 (1.92635e-09% change) linmin: converged after 6 iterations. iteration 1892: trace = 2.393039451626216 (2.59015e-09% change) linmin: converged after 6 iterations. iteration 1893: trace = 2.393039451575114 (2.13545e-09% change) large trace change predicted (6.37908e-09%) linmin: converged after 6 iterations. iteration 1894: trace = 2.393039451422565 (6.37468e-09% change) linmin: converged after 3 iterations. iteration 1895: trace = 2.393039451352757 (2.91715e-09% change) large trace change predicted (7.30897e-09%) linmin: converged after 4 iterations. iteration 1896: trace = 2.39303945117764 (7.31778e-09% change) linmin: converged after 4 iterations. iteration 1897: trace = 2.393039451014691 (6.80928e-09% change) linmin: converged after 5 iterations. iteration 1898: trace = 2.393039450928482 (3.60248e-09% change) linmin: converged after 3 iterations. iteration 1899: trace = 2.393039450766429 (6.77187e-09% change) linmin: converged after 10 iterations. iteration 1900: trace = 2.393039450619521 (6.13894e-09% change) linmin: converged after 9 iterations. iteration 1901: trace = 2.393039450481397 (5.77193e-09% change) large trace change predicted (1.37452e-08%) linmin: converged after 6 iterations. iteration 1902: trace = 2.39303945015247 (1.37451e-08% change) linmin: converged after 13 iterations. iteration 1903: trace = 2.393039450075025 (3.23627e-09% change) large trace change predicted (1.02231e-08%) linmin: converged after 5 iterations. iteration 1904: trace = 2.393039449830154 (1.02326e-08% change) linmin: converged after 4 iterations. iteration 1905: trace = 2.393039449594766 (9.83635e-09% change) linmin: converged after 5 iterations. iteration 1906: trace = 2.39303944946226 (5.53716e-09% change) linmin: converged after 3 iterations. iteration 1907: trace = 2.393039449276768 (7.75132e-09% change) linmin: converged after 4 iterations. iteration 1908: trace = 2.393039449097325 (7.49851e-09% change) linmin: converged after 4 iterations. iteration 1909: trace = 2.393039449014233 (3.47225e-09% change) linmin: converged after 3 iterations. iteration 1910: trace = 2.39303944891337 (4.21488e-09% change) linmin: converged after 4 iterations. iteration 1911: trace = 2.393039448891721 (9.04643e-10% change) large trace change predicted (2.88798e-09%) linmin: converged after 3 iterations. iteration 1912: trace = 2.393039448822574 (2.8895e-09% change) linmin: converged after 4 iterations. iteration 1913: trace = 2.393039448767053 (2.32012e-09% change) linmin: converged after 5 iterations. iteration 1914: trace = 2.393039448712644 (2.27363e-09% change) large trace change predicted (9.76691e-09%) linmin: converged after 4 iterations. iteration 1915: trace = 2.393039448479089 (9.75976e-09% change) linmin: converged after 4 iterations. iteration 1916: trace = 2.393039448401244 (3.25299e-09% change) large trace change predicted (1.54244e-08%) linmin: converged after 4 iterations. iteration 1917: trace = 2.393039448032157 (1.54233e-08% change) linmin: converged after 4 iterations. iteration 1918: trace = 2.393039447852846 (7.49301e-09% change) large trace change predicted (2.05023e-08%) linmin: converged after 5 iterations. iteration 1919: trace = 2.39303944736242 (2.04939e-08% change) linmin: converged after 4 iterations. iteration 1920: trace = 2.393039447052423 (1.29541e-08% change) linmin: converged after 3 iterations. iteration 1921: trace = 2.393039446896045 (6.5347e-09% change) linmin: converged after 14 iterations. iteration 1922: trace = 2.393039446616436 (1.16843e-08% change) linmin: converged after 6 iterations. iteration 1923: trace = 2.393039446530206 (3.60337e-09% change) large trace change predicted (1.233e-08%) linmin: converged after 4 iterations. iteration 1924: trace = 2.393039446235395 (1.23195e-08% change) linmin: converged after 4 iterations. iteration 1925: trace = 2.393039446120371 (4.80661e-09% change) large trace change predicted (9.74189e-09%) linmin: converged after 4 iterations. iteration 1926: trace = 2.39303944588754 (9.72951e-09% change) linmin: converged after 3 iterations. iteration 1927: trace = 2.393039445710361 (7.40394e-09% change) linmin: converged after 5 iterations. iteration 1928: trace = 2.393039445643736 (2.78411e-09% change) linmin: converged after 5 iterations. iteration 1929: trace = 2.393039445510909 (5.55054e-09% change) linmin: converged after 5 iterations. iteration 1930: trace = 2.393039445448921 (2.59037e-09% change) linmin: converged after 3 iterations. iteration 1931: trace = 2.393039445383455 (2.73568e-09% change) linmin: converged after 7 iterations. iteration 1932: trace = 2.393039445265108 (4.94545e-09% change) linmin: converged after 4 iterations. iteration 1933: trace = 2.393039445204703 (2.5242e-09% change) large trace change predicted (6.85489e-09%) linmin: converged after 4 iterations. iteration 1934: trace = 2.393039445040955 (6.84268e-09% change) linmin: converged after 9 iterations. iteration 1935: trace = 2.393039444780994 (1.08632e-08% change) linmin: converged after 15 iterations. iteration 1936: trace = 2.393039444628465 (6.37388e-09% change) large trace change predicted (2.51985e-08%) linmin: converged after 9 iterations. iteration 1937: trace = 2.39303944402551 (2.51962e-08% change) linmin: converged after 3 iterations. iteration 1938: trace = 2.393039443912818 (4.70914e-09% change) large trace change predicted (1.27572e-08%) linmin: converged after 3 iterations. iteration 1939: trace = 2.393039443607804 (1.27459e-08% change) linmin: converged after 9 iterations. iteration 1940: trace = 2.393039443377261 (9.63387e-09% change) linmin: converged after 4 iterations. iteration 1941: trace = 2.393039443293673 (3.49299e-09% change) large trace change predicted (9.05967e-09%) linmin: converged after 4 iterations. iteration 1942: trace = 2.39303944307701 (9.05387e-09% change) linmin: converged after 12 iterations. iteration 1943: trace = 2.393039443036209 (1.70499e-09% change) large trace change predicted (3.51877e-09%) linmin: converged after 6 iterations. iteration 1944: trace = 2.393039442951618 (3.53486e-09% change) linmin: converged after 4 iterations. iteration 1945: trace = 2.39303944288621 (2.73327e-09% change) linmin: converged after 3 iterations. iteration 1946: trace = 2.393039442848446 (1.57808e-09% change) large trace change predicted (4.29332e-09%) linmin: converged after 4 iterations. iteration 1947: trace = 2.393039442745376 (4.30707e-09% change) linmin: converged after 12 iterations. iteration 1948: trace = 2.393039442693334 (2.17472e-09% change) linmin: converged after 3 iterations. iteration 1949: trace = 2.393039442620927 (3.02573e-09% change) linmin: converged after 9 iterations. iteration 1950: trace = 2.393039442476341 (6.04194e-09% change) linmin: converged after 9 iterations. iteration 1951: trace = 2.393039442436673 (1.65763e-09% change) large trace change predicted (4.87469e-09%) linmin: converged after 4 iterations. iteration 1952: trace = 2.393039442320204 (4.86701e-09% change) linmin: converged after 4 iterations. iteration 1953: trace = 2.393039442258929 (2.56055e-09% change) large trace change predicted (6.13875e-09%) linmin: converged after 3 iterations. iteration 1954: trace = 2.393039442112094 (6.1359e-09% change) linmin: converged after 4 iterations. iteration 1955: trace = 2.393039441868849 (1.01647e-08% change) linmin: converged after 12 iterations. iteration 1956: trace = 2.393039441709076 (6.67659e-09% change) large trace change predicted (3.27133e-08%) linmin: converged after 3 iterations. iteration 1957: trace = 2.393039440926726 (3.26927e-08% change) linmin: converged after 18 iterations. iteration 1958: trace = 2.393039440677581 (1.04112e-08% change) large trace change predicted (7.17879e-08%) linmin: converged after 5 iterations. iteration 1959: trace = 2.39303943895953 (7.17937e-08% change) resetting CG direction... linmin: converged after 14 iterations. iteration 1960: trace = 2.393039438323334 (2.65853e-08% change) linmin: converged after 4 iterations. iteration 1961: trace = 2.393039437789052 (2.23265e-08% change) linmin: converged after 3 iterations. iteration 1962: trace = 2.39303943725397 (2.23599e-08% change) linmin: converged after 7 iterations. iteration 1963: trace = 2.393039437131799 (5.10527e-09% change) large trace change predicted (1.04084e-08%) linmin: converged after 3 iterations. iteration 1964: trace = 2.39303943688254 (1.0416e-08% change) linmin: converged after 3 iterations. iteration 1965: trace = 2.393039436760738 (5.08987e-09% change) linmin: converged after 6 iterations. iteration 1966: trace = 2.393039436709493 (2.14139e-09% change) linmin: converged after 4 iterations. iteration 1967: trace = 2.393039436637749 (2.99803e-09% change) linmin: converged after 5 iterations. iteration 1968: trace = 2.393039436599232 (1.60955e-09% change) linmin: converged after 4 iterations. iteration 1969: trace = 2.393039436576352 (9.56103e-10% change) large trace change predicted (2.35154e-09%) linmin: converged after 4 iterations. iteration 1970: trace = 2.393039436520354 (2.34003e-09% change) linmin: converged after 3 iterations. iteration 1971: trace = 2.393039436492496 (1.16413e-09% change) linmin: converged after 3 iterations. iteration 1972: trace = 2.393039436457791 (1.45027e-09% change) linmin: converged after 4 iterations. iteration 1973: trace = 2.393039436417563 (1.68102e-09% change) linmin: converged after 4 iterations. iteration 1974: trace = 2.393039436403412 (5.91373e-10% change) large trace change predicted (1.25697e-09%) linmin: converged after 3 iterations. iteration 1975: trace = 2.393039436373034 (1.26941e-09% change) linmin: converged after 3 iterations. iteration 1976: trace = 2.393039436328327 (1.86821e-09% change) linmin: converged after 3 iterations. iteration 1977: trace = 2.393039436305597 (9.4983e-10% change) large trace change predicted (3.66733e-09%) linmin: converged after 4 iterations. iteration 1978: trace = 2.393039436217674 (3.67413e-09% change) linmin: converged after 3 iterations. iteration 1979: trace = 2.393039436189774 (1.16586e-09% change) large trace change predicted (5.08872e-09%) linmin: converged after 4 iterations. iteration 1980: trace = 2.393039436067618 (5.10464e-09% change) linmin: converged after 9 iterations. iteration 1981: trace = 2.393039435981243 (3.60946e-09% change) linmin: converged after 13 iterations. iteration 1982: trace = 2.393039435894592 (3.62095e-09% change) large trace change predicted (7.30211e-09%) linmin: converged after 3 iterations. iteration 1983: trace = 2.393039435719951 (7.29788e-09% change) linmin: converged after 4 iterations. iteration 1984: trace = 2.393039435671572 (2.02166e-09% change) linmin: converged after 8 iterations. iteration 1985: trace = 2.393039435594718 (3.21153e-09% change) linmin: converged after 4 iterations. iteration 1986: trace = 2.393039435549982 (1.86945e-09% change) linmin: converged after 3 iterations. iteration 1987: trace = 2.393039435537185 (5.34754e-10% change) large trace change predicted (1.21466e-09%) linmin: converged after 4 iterations. iteration 1988: trace = 2.393039435508208 (1.2109e-09% change) linmin: converged after 4 iterations. iteration 1989: trace = 2.393039435492325 (6.63692e-10% change) linmin: converged after 5 iterations. iteration 1990: trace = 2.393039435475317 (7.10754e-10% change) large trace change predicted (2.0028e-09%) linmin: converged after 4 iterations. iteration 1991: trace = 2.393039435427377 (2.0033e-09% change) linmin: converged after 6 iterations. iteration 1992: trace = 2.393039435409912 (7.29831e-10% change) large trace change predicted (2.97063e-09%) linmin: converged after 4 iterations. iteration 1993: trace = 2.393039435338368 (2.98964e-09% change) linmin: converged after 4 iterations. iteration 1994: trace = 2.393039435310971 (1.14489e-09% change) linmin: converged after 4 iterations. iteration 1995: trace = 2.393039435265988 (1.87975e-09% change) linmin: converged after 3 iterations. iteration 1996: trace = 2.393039435217393 (2.03066e-09% change) linmin: converged after 4 iterations. iteration 1997: trace = 2.39303943519499 (9.36191e-10% change) large trace change predicted (3.3027e-09%) linmin: converged after 6 iterations. iteration 1998: trace = 2.393039435115994 (3.30105e-09% change) linmin: converged after 7 iterations. iteration 1999: trace = 2.393039435074365 (1.7396e-09% change) large trace change predicted (6.16853e-09%) linmin: converged after 6 iterations. iteration 2000: trace = 2.393039434926903 (6.16212e-09% change) linmin: converged after 4 iterations. iteration 2001: trace = 2.393039434880057 (1.9576e-09% change) linmin: converged after 4 iterations. iteration 2002: trace = 2.393039434814421 (2.74279e-09% change) linmin: converged after 4 iterations. iteration 2003: trace = 2.393039434763783 (2.11604e-09% change) linmin: converged after 4 iterations. iteration 2004: trace = 2.393039434744991 (7.85299e-10% change) large trace change predicted (1.63782e-09%) linmin: converged after 3 iterations. iteration 2005: trace = 2.393039434705584 (1.64672e-09% change) linmin: converged after 4 iterations. iteration 2006: trace = 2.393039434699242 (2.65002e-10% change) large trace change predicted (8.61629e-10%) linmin: converged after 3 iterations. iteration 2007: trace = 2.393039434679038 (8.44294e-10% change) linmin: converged after 4 iterations. iteration 2008: trace = 2.393039434675229 (1.59168e-10% change) large trace change predicted (5.14992e-10%) linmin: converged after 3 iterations. iteration 2009: trace = 2.393039434662688 (5.24046e-10% change) linmin: converged after 4 iterations. iteration 2010: trace = 2.393039434647076 (6.52427e-10% change) linmin: converged after 3 iterations. iteration 2011: trace = 2.393039434637269 (4.09788e-10% change) large trace change predicted (1.36503e-09%) linmin: converged after 3 iterations. iteration 2012: trace = 2.393039434604628 (1.364e-09% change) linmin: converged after 5 iterations. iteration 2013: trace = 2.393039434595156 (3.95814e-10% change) large trace change predicted (1.88283e-09%) linmin: converged after 3 iterations. iteration 2014: trace = 2.393039434550104 (1.88263e-09% change) linmin: converged after 5 iterations. iteration 2015: trace = 2.393039434523842 (1.09746e-09% change) linmin: converged after 6 iterations. iteration 2016: trace = 2.393039434486109 (1.57676e-09% change) linmin: converged after 3 iterations. iteration 2017: trace = 2.3930394344467 (1.64681e-09% change) linmin: converged after 9 iterations. iteration 2018: trace = 2.393039434423467 (9.70875e-10% change) linmin: converged after 4 iterations. iteration 2019: trace = 2.393039434378958 (1.85991e-09% change) linmin: converged after 5 iterations. iteration 2020: trace = 2.393039434370328 (3.60647e-10% change) large trace change predicted (1.14174e-09%) linmin: converged after 3 iterations. iteration 2021: trace = 2.393039434343038 (1.1404e-09% change) linmin: converged after 5 iterations. iteration 2022: trace = 2.393039434333263 (4.08451e-10% change) large trace change predicted (1.11508e-09%) linmin: converged after 4 iterations. iteration 2023: trace = 2.393039434306579 (1.1151e-09% change) linmin: converged after 3 iterations. iteration 2024: trace = 2.393039434291962 (6.10803e-10% change) linmin: converged after 3 iterations. iteration 2025: trace = 2.393039434276927 (6.28284e-10% change) linmin: converged after 4 iterations. iteration 2026: trace = 2.393039434252486 (1.02133e-09% change) linmin: converged after 3 iterations. iteration 2027: trace = 2.393039434245335 (2.98813e-10% change) large trace change predicted (6.67383e-10%) linmin: converged after 5 iterations. iteration 2028: trace = 2.393039434230231 (6.3116e-10% change) linmin: converged after 3 iterations. iteration 2029: trace = 2.393039434227043 (1.33225e-10% change) resetting CG direction... linmin: converged after 7 iterations. iteration 2030: trace = 2.393039434225272 (7.40075e-11% change) Finished solving for bands 2 to 10 after 2030 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 elapsed time for k point: 14.59436559677124 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.472606412328673 (8.48024% change) linmin: converged after 6 iterations. iteration 2: trace = 2.453425735718083 (0.778748% change) linmin: converged after 6 iterations. iteration 3: trace = 2.442844414785593 (0.43222% change) linmin: converged after 7 iterations. iteration 4: trace = 2.431161847827217 (0.479383% change) linmin: converged after 7 iterations. iteration 5: trace = 2.426060280234586 (0.210061% change) linmin: converged after 5 iterations. iteration 6: trace = 2.423173498768208 (0.119061% change) linmin: converged after 11 iterations. iteration 7: trace = 2.421004983712137 (0.0895308% change) linmin: converged after 4 iterations. iteration 8: trace = 2.419230595188513 (0.0733183% change) linmin: converged after 6 iterations. iteration 9: trace = 2.418879976299798 (0.014494% change) linmin: converged after 4 iterations. iteration 10: trace = 2.418217818337571 (0.0273783% change) linmin: converged after 4 iterations. iteration 11: trace = 2.417916624344721 (0.012456% change) linmin: converged after 4 iterations. iteration 12: trace = 2.417553425304854 (0.0150223% change) linmin: converged after 4 iterations. iteration 13: trace = 2.417324401496046 (0.00947382% change) linmin: converged after 3 iterations. iteration 14: trace = 2.417053485842457 (0.0112079% change) linmin: converged after 4 iterations. iteration 15: trace = 2.416983346628101 (0.00290189% change) large trace change predicted (0.00610734%) linmin: converged after 3 iterations. iteration 16: trace = 2.416834145661213 (0.00617321% change) linmin: converged after 4 iterations. iteration 17: trace = 2.416789900407536 (0.00183073% change) large trace change predicted (0.00505463%) linmin: converged after 3 iterations. iteration 18: trace = 2.416666953862918 (0.00508731% change) linmin: converged after 4 iterations. iteration 19: trace = 2.416616686541779 (0.00208005% change) linmin: converged after 3 iterations. iteration 20: trace = 2.416550546368013 (0.00273693% change) linmin: converged after 4 iterations. iteration 21: trace = 2.416470730039696 (0.00330296% change) linmin: converged after 3 iterations. iteration 22: trace = 2.4163914643744 (0.00328028% change) linmin: converged after 4 iterations. iteration 23: trace = 2.416340839231842 (0.00209509% change) linmin: converged after 3 iterations. iteration 24: trace = 2.416269506309811 (0.00295215% change) linmin: converged after 6 iterations. iteration 25: trace = 2.416222969393447 (0.001926% change) linmin: converged after 3 iterations. iteration 26: trace = 2.416194250937182 (0.00118858% change) large trace change predicted (0.0053049%) linmin: converged after 4 iterations. iteration 27: trace = 2.416065964814718 (0.00530957% change) linmin: converged after 3 iterations. iteration 28: trace = 2.416019766014298 (0.00191217% change) large trace change predicted (0.00450154%) linmin: converged after 4 iterations. iteration 29: trace = 2.415911184348753 (0.00449434% change) linmin: converged after 3 iterations. iteration 30: trace = 2.415826339470812 (0.00351198% change) linmin: converged after 3 iterations. iteration 31: trace = 2.41570604851085 (0.00497941% change) linmin: converged after 3 iterations. iteration 32: trace = 2.415628012647992 (0.00323041% change) large trace change predicted (0.0107003%) linmin: converged after 4 iterations. iteration 33: trace = 2.41537053690965 (0.0106593% change) linmin: converged after 3 iterations. iteration 34: trace = 2.415301753630072 (0.00284777% change) large trace change predicted (0.00887828%) linmin: converged after 4 iterations. iteration 35: trace = 2.415087793103613 (0.00885893% change) linmin: converged after 3 iterations. iteration 36: trace = 2.414996316466689 (0.00378779% change) linmin: converged after 3 iterations. iteration 37: trace = 2.414847805921248 (0.0061497% change) linmin: converged after 4 iterations. iteration 38: trace = 2.414719199013656 (0.00532582% change) linmin: converged after 4 iterations. iteration 39: trace = 2.414561302620633 (0.00653913% change) linmin: converged after 5 iterations. iteration 40: trace = 2.41448413781134 (0.00319586% change) linmin: converged after 4 iterations. iteration 41: trace = 2.414383115285119 (0.00418411% change) linmin: converged after 3 iterations. iteration 42: trace = 2.414348691663321 (0.00142578% change) linmin: converged after 4 iterations. iteration 43: trace = 2.414292775582494 (0.00231602% change) linmin: converged after 3 iterations. iteration 44: trace = 2.414262873465236 (0.00123855% change) linmin: converged after 4 iterations. iteration 45: trace = 2.414243309095757 (0.000810369% change) linmin: converged after 3 iterations. iteration 46: trace = 2.414222004518059 (0.000882458% change) linmin: converged after 4 iterations. iteration 47: trace = 2.41418937622007 (0.00135151% change) linmin: converged after 3 iterations. iteration 48: trace = 2.414175482017809 (0.000575524% change) large trace change predicted (0.00151722%) linmin: converged after 4 iterations. iteration 49: trace = 2.414139167146496 (0.00150425% change) linmin: converged after 3 iterations. iteration 50: trace = 2.414108647997533 (0.00126419% change) linmin: converged after 4 iterations. iteration 51: trace = 2.414084470600241 (0.00100151% change) linmin: converged after 3 iterations. iteration 52: trace = 2.414052008701353 (0.0013447% change) linmin: converged after 4 iterations. iteration 53: trace = 2.414006568578595 (0.00188234% change) linmin: converged after 3 iterations. iteration 54: trace = 2.413987583024687 (0.000786478% change) large trace change predicted (0.00171875%) linmin: converged after 4 iterations. iteration 55: trace = 2.41394637849652 (0.00170692% change) linmin: converged after 3 iterations. iteration 56: trace = 2.413918643338453 (0.00114896% change) linmin: converged after 6 iterations. iteration 57: trace = 2.413893202859717 (0.00105391% change) linmin: converged after 3 iterations. iteration 58: trace = 2.413859265637633 (0.00140592% change) linmin: converged after 4 iterations. iteration 59: trace = 2.413820630728176 (0.00160056% change) linmin: converged after 3 iterations. iteration 60: trace = 2.413793739214342 (0.00111407% change) linmin: converged after 4 iterations. iteration 61: trace = 2.413747575773504 (0.0019125% change) linmin: converged after 3 iterations. iteration 62: trace = 2.413717656691289 (0.00123954% change) linmin: converged after 4 iterations. iteration 63: trace = 2.413670794739782 (0.0019415% change) linmin: converged after 3 iterations. iteration 64: trace = 2.413608498811451 (0.002581% change) linmin: converged after 4 iterations. iteration 65: trace = 2.413550379958808 (0.00240799% change) linmin: converged after 4 iterations. iteration 66: trace = 2.413476905206978 (0.00304431% change) linmin: converged after 4 iterations. iteration 67: trace = 2.413393469715005 (0.00345713% change) linmin: converged after 3 iterations. iteration 68: trace = 2.413361590307507 (0.00132095% change) linmin: converged after 4 iterations. iteration 69: trace = 2.413309245029383 (0.002169% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.413292472384753 (0.000695008% change) linmin: converged after 3 iterations. iteration 71: trace = 2.413275763337027 (0.000692378% change) linmin: converged after 3 iterations. iteration 72: trace = 2.413247325367773 (0.0011784% change) linmin: converged after 5 iterations. iteration 73: trace = 2.41324098838247 (0.000262592% change) large trace change predicted (0.000686831%) linmin: converged after 3 iterations. iteration 74: trace = 2.413224390611433 (0.000687782% change) linmin: converged after 4 iterations. iteration 75: trace = 2.41321933697967 (0.000209414% change) linmin: converged after 3 iterations. iteration 76: trace = 2.413214508918284 (0.000200067% change) linmin: converged after 3 iterations. iteration 77: trace = 2.413206859948187 (0.000316962% change) linmin: converged after 3 iterations. iteration 78: trace = 2.413202709301081 (0.000171997% change) linmin: converged after 4 iterations. iteration 79: trace = 2.413195544942863 (0.000296882% change) large trace change predicted (0.000675767%) linmin: converged after 3 iterations. iteration 80: trace = 2.41317915913854 (0.000679011% change) linmin: converged after 3 iterations. iteration 81: trace = 2.413174521984215 (0.00019216% change) large trace change predicted (0.000670808%) linmin: converged after 3 iterations. iteration 82: trace = 2.413158321175334 (0.000671351% change) linmin: converged after 3 iterations. iteration 83: trace = 2.41313739852315 (0.000867027% change) linmin: converged after 6 iterations. iteration 84: trace = 2.413132084170826 (0.000220226% change) large trace change predicted (0.00137291%) linmin: converged after 4 iterations. iteration 85: trace = 2.413098630000145 (0.00138635% change) linmin: converged after 3 iterations. iteration 86: trace = 2.413088275807562 (0.000429084% change) linmin: converged after 3 iterations. iteration 87: trace = 2.413070019022158 (0.000756576% change) linmin: converged after 4 iterations. iteration 88: trace = 2.413059140351948 (0.000450824% change) linmin: converged after 3 iterations. iteration 89: trace = 2.413054828335151 (0.000178695% change) large trace change predicted (0.00037838%) linmin: converged after 3 iterations. iteration 90: trace = 2.413045686743834 (0.00037884% change) linmin: converged after 3 iterations. iteration 91: trace = 2.413029389278951 (0.000675392% change) linmin: converged after 4 iterations. iteration 92: trace = 2.413026337297859 (0.000126479% change) large trace change predicted (0.000680895%) linmin: converged after 4 iterations. iteration 93: trace = 2.413009863321784 (0.000682712% change) linmin: converged after 4 iterations. iteration 94: trace = 2.413004958688768 (0.000203258% change) linmin: converged after 3 iterations. iteration 95: trace = 2.413001010574182 (0.000163618% change) large trace change predicted (0.000575145%) linmin: converged after 3 iterations. iteration 96: trace = 2.41298711078796 (0.000576039% change) linmin: converged after 4 iterations. iteration 97: trace = 2.412981993123678 (0.000212089% change) linmin: converged after 26 iterations. iteration 98: trace = 2.412974960504182 (0.00029145% change) linmin: converged after 3 iterations. iteration 99: trace = 2.412971660124212 (0.000136776% change) linmin: converged after 5 iterations. iteration 100: trace = 2.412969726949497 (8.0116e-05% change) large trace change predicted (0.000185959%) linmin: converged after 4 iterations. iteration 101: trace = 2.412965239514389 (0.000185972% change) linmin: converged after 4 iterations. iteration 102: trace = 2.41295785452651 (0.000306055% change) linmin: converged after 3 iterations. iteration 103: trace = 2.412955647658458 (9.14591e-05% change) large trace change predicted (0.000451444%) linmin: converged after 4 iterations. iteration 104: trace = 2.412944804472996 (0.000449375% change) linmin: converged after 3 iterations. iteration 105: trace = 2.412939591976892 (0.000216022% change) large trace change predicted (0.000436704%) linmin: converged after 6 iterations. iteration 106: trace = 2.412929087882519 (0.000435325% change) linmin: converged after 5 iterations. iteration 107: trace = 2.412912388879401 (0.000692066% change) linmin: converged after 4 iterations. iteration 108: trace = 2.412882739501967 (0.00122879% change) linmin: converged after 4 iterations. iteration 109: trace = 2.412866277569273 (0.000682254% change) large trace change predicted (0.00140455%) linmin: converged after 4 iterations. iteration 110: trace = 2.412832877672352 (0.00138425% change) linmin: converged after 4 iterations. iteration 111: trace = 2.412826963363769 (0.000245119% change) linmin: converged after 6 iterations. iteration 112: trace = 2.412818882217 (0.000334925% change) linmin: converged after 4 iterations. iteration 113: trace = 2.412807741114174 (0.000461747% change) linmin: converged after 11 iterations. iteration 114: trace = 2.412803765774664 (0.00016476% change) linmin: converged after 7 iterations. iteration 115: trace = 2.412797334010174 (0.000266568% change) linmin: converged after 5 iterations. iteration 116: trace = 2.412796055157039 (5.30029e-05% change) large trace change predicted (0.000176584%) linmin: converged after 4 iterations. iteration 117: trace = 2.412791794264836 (0.000176596% change) linmin: converged after 20 iterations. iteration 118: trace = 2.412788959820339 (0.000117476% change) linmin: converged after 3 iterations. iteration 119: trace = 2.412787814829273 (4.74551e-05% change) large trace change predicted (0.000215307%) linmin: converged after 4 iterations. iteration 120: trace = 2.412782625139613 (0.000215091% change) linmin: converged after 8 iterations. iteration 121: trace = 2.412781615544021 (4.18436e-05% change) large trace change predicted (0.000159471%) linmin: converged after 8 iterations. iteration 122: trace = 2.412777772563147 (0.000159276% change) linmin: converged after 4 iterations. iteration 123: trace = 2.412776290475923 (6.14266e-05% change) linmin: converged after 4 iterations. iteration 124: trace = 2.412774825733703 (6.07078e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.412773093628529 (7.1789e-05% change) linmin: converged after 3 iterations. iteration 126: trace = 2.412772033403266 (4.39422e-05% change) large trace change predicted (0.000143911%) linmin: converged after 3 iterations. iteration 127: trace = 2.412768561234267 (0.000143908% change) linmin: converged after 3 iterations. iteration 128: trace = 2.412764332147253 (0.00017528% change) linmin: converged after 3 iterations. iteration 129: trace = 2.412762702402286 (6.75468e-05% change) large trace change predicted (0.000227105%) linmin: converged after 4 iterations. iteration 130: trace = 2.412757229053292 (0.00022685% change) linmin: converged after 3 iterations. iteration 131: trace = 2.412750308384217 (0.000286837% change) linmin: converged after 3 iterations. iteration 132: trace = 2.412744971597525 (0.000221191% change) large trace change predicted (0.000507211%) linmin: converged after 3 iterations. iteration 133: trace = 2.412732718407164 (0.000507854% change) linmin: converged after 7 iterations. iteration 134: trace = 2.412730962367456 (7.27822e-05% change) large trace change predicted (0.000324296%) linmin: converged after 3 iterations. iteration 135: trace = 2.412723129047391 (0.000324667% change) linmin: converged after 5 iterations. iteration 136: trace = 2.412721617793547 (6.26369e-05% change) linmin: converged after 3 iterations. iteration 137: trace = 2.412719162213405 (0.000101776% change) linmin: converged after 7 iterations. iteration 138: trace = 2.412714760983797 (0.000182418% change) linmin: converged after 4 iterations. iteration 139: trace = 2.412714244683772 (2.13991e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 2.412713795110151 (1.86335e-05% change) large trace change predicted (6.16566e-05%) linmin: converged after 3 iterations. iteration 141: trace = 2.412712306913474 (6.16815e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.412711752129087 (2.29942e-05% change) linmin: converged after 5 iterations. iteration 143: trace = 2.412711433445376 (1.32085e-05% change) large trace change predicted (3.65531e-05%) linmin: converged after 3 iterations. iteration 144: trace = 2.412710551332244 (3.65611e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.412710001332495 (2.27959e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.412709339104619 (2.74475e-05% change) linmin: converged after 7 iterations. iteration 147: trace = 2.412708015349657 (5.48659e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.412707735069079 (1.16168e-05% change) large trace change predicted (2.46166e-05%) linmin: converged after 5 iterations. iteration 149: trace = 2.412707141025387 (2.46215e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.41270611433174 (4.25536e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.41270579969158 (1.3041e-05% change) large trace change predicted (4.39304e-05%) linmin: converged after 4 iterations. iteration 152: trace = 2.412704738726644 (4.39741e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.41270404498078 (2.87539e-05% change) linmin: converged after 4 iterations. iteration 154: trace = 2.412703578379837 (1.93393e-05% change) large trace change predicted (3.8684e-05%) linmin: converged after 3 iterations. iteration 155: trace = 2.41270264429435 (3.87153e-05% change) linmin: converged after 4 iterations. iteration 156: trace = 2.41270138016885 (5.23946e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.412700869011127 (2.11861e-05% change) large trace change predicted (5.77342e-05%) linmin: converged after 4 iterations. iteration 158: trace = 2.412699474008117 (5.78192e-05% change) linmin: converged after 5 iterations. iteration 159: trace = 2.412698218657573 (5.2031e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 2.412697424328969 (3.29228e-05% change) linmin: converged after 3 iterations. iteration 161: trace = 2.412696294218674 (4.68401e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.412695413377431 (3.65086e-05% change) linmin: converged after 20 iterations. iteration 163: trace = 2.41269430997101 (4.57334e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.412693077402853 (5.10868e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.41269287994695 (8.18405e-06% change) linmin: converged after 3 iterations. iteration 166: trace = 2.412692605808744 (1.13623e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.412692078182679 (2.18688e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.412691978234893 (4.14258e-06% change) large trace change predicted (1.25531e-05%) linmin: converged after 4 iterations. iteration 169: trace = 2.412691675191595 (1.25604e-05% change) linmin: converged after 5 iterations. iteration 170: trace = 2.412691532278725 (5.92338e-06% change) linmin: converged after 5 iterations. iteration 171: trace = 2.412691333718024 (8.22984e-06% change) linmin: converged after 3 iterations. iteration 172: trace = 2.412691071224445 (1.08797e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.412690867505331 (8.44365e-06% change) large trace change predicted (1.92698e-05%) linmin: converged after 3 iterations. iteration 174: trace = 2.412690402508315 (1.9273e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.412689494445571 (3.76369e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.412689267131884 (9.42159e-06% change) large trace change predicted (2.9348e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.412688558739286 (2.93611e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.412688132027417 (1.76862e-05% change) linmin: converged after 4 iterations. iteration 179: trace = 2.412687768142828 (1.50821e-05% change) large trace change predicted (6.13005e-05%) linmin: converged after 5 iterations. iteration 180: trace = 2.412686288078712 (6.13451e-05% change) linmin: converged after 4 iterations. iteration 181: trace = 2.412685924160847 (1.50835e-05% change) large trace change predicted (4.49615e-05%) linmin: converged after 3 iterations. iteration 182: trace = 2.412684838840223 (4.49839e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.412683964333555 (3.62462e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.412683634762118 (1.366e-05% change) large trace change predicted (2.85959e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.412682944177038 (2.86231e-05% change) linmin: converged after 21 iterations. iteration 186: trace = 2.412682252171017 (2.8682e-05% change) linmin: converged after 5 iterations. iteration 187: trace = 2.412682009678486 (1.00507e-05% change) large trace change predicted (2.73274e-05%) linmin: converged after 4 iterations. iteration 188: trace = 2.412681350332888 (2.73283e-05% change) linmin: converged after 3 iterations. iteration 189: trace = 2.412681262096474 (3.65719e-06% change) linmin: converged after 3 iterations. iteration 190: trace = 2.412681134826438 (5.27505e-06% change) large trace change predicted (1.11392e-05%) linmin: converged after 5 iterations. iteration 191: trace = 2.412680866043328 (1.11404e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.4126808264136 (1.64256e-06% change) large trace change predicted (1.20563e-05%) linmin: converged after 7 iterations. iteration 193: trace = 2.41268053555182 (1.20555e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.412680402474456 (5.51575e-06% change) linmin: converged after 3 iterations. iteration 195: trace = 2.412680287998102 (4.74478e-06% change) large trace change predicted (1.8074e-05%) linmin: converged after 4 iterations. iteration 196: trace = 2.412679852029748 (1.80699e-05% change) linmin: converged after 3 iterations. iteration 197: trace = 2.412679516370597 (1.39123e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.412679155864843 (1.49421e-05% change) large trace change predicted (6.2203e-05%) linmin: converged after 4 iterations. iteration 199: trace = 2.412677654625708 (6.22229e-05% change) linmin: converged after 5 iterations. iteration 200: trace = 2.412677374183402 (1.16237e-05% change) large trace change predicted (5.1361e-05%) linmin: converged after 5 iterations. iteration 201: trace = 2.412676134604486 (5.13777e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.412675245015786 (3.68715e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.412674862142604 (1.58692e-05% change) large trace change predicted (5.06774e-05%) linmin: converged after 4 iterations. iteration 204: trace = 2.41267363934473 (5.06823e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.412673242942164 (1.643e-05% change) linmin: converged after 5 iterations. iteration 206: trace = 2.412672626171718 (2.55638e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.412672131228316 (2.05143e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.412671827786987 (1.2577e-05% change) large trace change predicted (3.40714e-05%) linmin: converged after 4 iterations. iteration 209: trace = 2.412671005801497 (3.40695e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.412670641830589 (1.50858e-05% change) linmin: converged after 5 iterations. iteration 211: trace = 2.412670529000208 (4.67658e-06% change) large trace change predicted (1.04561e-05%) linmin: converged after 4 iterations. iteration 212: trace = 2.412670276853772 (1.04509e-05% change) linmin: converged after 5 iterations. iteration 213: trace = 2.41267005892408 (9.03272e-06% change) linmin: converged after 4 iterations. iteration 214: trace = 2.412669942685584 (4.81784e-06% change) large trace change predicted (1.67786e-05%) linmin: converged after 3 iterations. iteration 215: trace = 2.412669537939716 (1.67759e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.41266945347015 (3.50108e-06% change) large trace change predicted (9.85233e-06%) linmin: converged after 4 iterations. iteration 217: trace = 2.412669215731066 (9.85378e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.412668921994908 (1.21747e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.41266883811821 (3.47651e-06% change) large trace change predicted (1.30474e-05%) linmin: converged after 4 iterations. iteration 220: trace = 2.412668523337981 (1.3047e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.412668223683091 (1.24201e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.412668113445152 (4.56913e-06% change) large trace change predicted (9.19443e-06%) linmin: converged after 3 iterations. iteration 223: trace = 2.412667891553012 (9.19696e-06% change) linmin: converged after 5 iterations. iteration 224: trace = 2.412667580826945 (1.28789e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.412667426254225 (6.40671e-06% change) large trace change predicted (1.78686e-05%) linmin: converged after 3 iterations. iteration 226: trace = 2.412666995135434 (1.7869e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.412666802715315 (7.97541e-06% change) linmin: converged after 3 iterations. iteration 228: trace = 2.412666435404577 (1.52243e-05% change) linmin: converged after 4 iterations. iteration 229: trace = 2.412666130700489 (1.26294e-05% change) linmin: converged after 4 iterations. iteration 230: trace = 2.412665877110246 (1.05108e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.412665382099508 (2.05172e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.412664783984475 (2.47906e-05% change) linmin: converged after 14 iterations. iteration 233: trace = 2.412664682683589 (4.19871e-06% change) linmin: converged after 3 iterations. iteration 234: trace = 2.412664481852494 (8.32404e-06% change) linmin: converged after 8 iterations. iteration 235: trace = 2.412664315383743 (6.89979e-06% change) linmin: converged after 2 iterations. iteration 236: trace = 2.412664250177639 (2.70266e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.412664169659182 (3.33733e-06% change) linmin: converged after 4 iterations. iteration 238: trace = 2.412664021244686 (6.15148e-06% change) linmin: converged after 3 iterations. iteration 239: trace = 2.412664001473559 (8.19473e-07% change) large trace change predicted (4.28054e-06%) linmin: converged after 28 iterations. iteration 240: trace = 2.412663898202072 (4.28039e-06% change) linmin: converged after 3 iterations. iteration 241: trace = 2.412663783452443 (4.75614e-06% change) linmin: converged after 3 iterations. iteration 242: trace = 2.412663731581536 (2.14994e-06% change) large trace change predicted (1.03009e-05%) linmin: converged after 5 iterations. iteration 243: trace = 2.412663483257846 (1.02925e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.412663197127385 (1.18595e-05% change) linmin: converged after 5 iterations. iteration 245: trace = 2.412662979195149 (9.03285e-06% change) linmin: converged after 5 iterations. iteration 246: trace = 2.412662720448691 (1.07245e-05% change) linmin: converged after 11 iterations. iteration 247: trace = 2.412662475665402 (1.01458e-05% change) linmin: converged after 5 iterations. iteration 248: trace = 2.412662231499839 (1.01202e-05% change) linmin: converged after 8 iterations. iteration 249: trace = 2.412661778846366 (1.87616e-05% change) linmin: converged after 4 iterations. iteration 250: trace = 2.412661646529992 (5.48425e-06% change) large trace change predicted (2.29079e-05%) linmin: converged after 6 iterations. iteration 251: trace = 2.412661094551263 (2.28784e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.41266045540582 (2.64913e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.412660330834369 (5.16324e-06% change) linmin: converged after 5 iterations. iteration 254: trace = 2.412660088017616 (1.00643e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.412659753374383 (1.38703e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.412659689278247 (2.65666e-06% change) large trace change predicted (1.06085e-05%) linmin: converged after 5 iterations. iteration 257: trace = 2.412659433394985 (1.06059e-05% change) linmin: converged after 3 iterations. iteration 258: trace = 2.41265939819889 (1.45881e-06% change) large trace change predicted (3.25859e-06%) linmin: converged after 2 iterations. iteration 259: trace = 2.412659319569637 (3.25903e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.412659193138797 (5.24031e-06% change) linmin: converged after 4 iterations. iteration 261: trace = 2.412659148262438 (1.86004e-06% change) large trace change predicted (4.57325e-06%) linmin: converged after 3 iterations. iteration 262: trace = 2.412659037928812 (4.57311e-06% change) large trace change predicted (9.99942e-06%) linmin: converged after 3 iterations. iteration 263: trace = 2.412658796722827 (9.99752e-06% change) linmin: converged after 2 iterations. iteration 264: trace = 2.412658738736654 (2.40341e-06% change) large trace change predicted (8.07785e-06%) linmin: converged after 2 iterations. iteration 265: trace = 2.412658543839925 (8.07809e-06% change) large trace change predicted (1.85307e-05%) linmin: converged after 3 iterations. iteration 266: trace = 2.412658096780619 (1.85297e-05% change) linmin: converged after 18 iterations. iteration 267: trace = 2.412658002593856 (3.90386e-06% change) large trace change predicted (3.77283e-05%) linmin: converged after 3 iterations. iteration 268: trace = 2.412657092188933 (3.77345e-05% change) linmin: converged after 4 iterations. iteration 269: trace = 2.412656429543355 (2.74654e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.41265589801858 (2.20307e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.412655358921608 (2.23445e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.412655030040948 (1.36315e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.412654517206331 (2.1256e-05% change) linmin: converged after 4 iterations. iteration 274: trace = 2.412654104258636 (1.71159e-05% change) linmin: converged after 2 iterations. iteration 275: trace = 2.412654008311804 (3.97682e-06% change) large trace change predicted (1.39559e-05%) linmin: converged after 4 iterations. iteration 276: trace = 2.412653671573064 (1.39572e-05% change) linmin: converged after 9 iterations. iteration 277: trace = 2.412653422875603 (1.0308e-05% change) linmin: converged after 16 iterations. iteration 278: trace = 2.41265322595961 (8.1618e-06% change) large trace change predicted (2.00162e-05%) linmin: converged after 3 iterations. iteration 279: trace = 2.412652742693363 (2.00305e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.412652499213283 (1.00918e-05% change) linmin: converged after 3 iterations. iteration 281: trace = 2.412652382534406 (4.83612e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.41265228025235 (4.2394e-06% change) linmin: converged after 5 iterations. iteration 283: trace = 2.412652203955211 (3.16238e-06% change) linmin: converged after 5 iterations. iteration 284: trace = 2.412652078604591 (5.19555e-06% change) linmin: converged after 3 iterations. iteration 285: trace = 2.412651897560381 (7.50395e-06% change) linmin: converged after 4 iterations. iteration 286: trace = 2.412651836057836 (2.54917e-06% change) large trace change predicted (1.09091e-05%) linmin: converged after 3 iterations. iteration 287: trace = 2.412651572821896 (1.09106e-05% change) linmin: converged after 5 iterations. iteration 288: trace = 2.412651365715245 (8.58419e-06% change) linmin: converged after 4 iterations. iteration 289: trace = 2.412651274368442 (3.78616e-06% change) large trace change predicted (2.32161e-05%) linmin: converged after 5 iterations. iteration 290: trace = 2.412650714164187 (2.32194e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.412650197980265 (2.13949e-05% change) linmin: converged after 14 iterations. iteration 292: trace = 2.412650023901272 (7.21526e-06% change) large trace change predicted (1.46825e-05%) linmin: converged after 7 iterations. iteration 293: trace = 2.412649669633992 (1.46837e-05% change) linmin: converged after 5 iterations. iteration 294: trace = 2.412649191611654 (1.98132e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.412649120212764 (2.95936e-06% change) large trace change predicted (1.45801e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.412648768393653 (1.45823e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.412648662526927 (4.38799e-06% change) linmin: converged after 4 iterations. iteration 298: trace = 2.412648519403908 (5.93219e-06% change) linmin: converged after 3 iterations. iteration 299: trace = 2.412648349644698 (7.03622e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.412648232842123 (4.84126e-06% change) linmin: converged after 4 iterations. iteration 301: trace = 2.41264816261973 (2.91059e-06% change) large trace change predicted (8.08228e-06%) linmin: converged after 4 iterations. iteration 302: trace = 2.412647967602745 (8.08311e-06% change) linmin: converged after 5 iterations. iteration 303: trace = 2.412647942028923 (1.05999e-06% change) large trace change predicted (6.21236e-06%) linmin: converged after 3 iterations. iteration 304: trace = 2.412647792118586 (6.21352e-06% change) linmin: converged after 2 iterations. iteration 305: trace = 2.412647732544191 (2.46925e-06% change) linmin: converged after 4 iterations. iteration 306: trace = 2.412647708180303 (1.00984e-06% change) large trace change predicted (5.58163e-06%) linmin: converged after 4 iterations. iteration 307: trace = 2.412647573474179 (5.58333e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.412647489905336 (3.46378e-06% change) linmin: converged after 3 iterations. iteration 309: trace = 2.412647457561911 (1.34058e-06% change) linmin: converged after 3 iterations. iteration 310: trace = 2.412647397836772 (2.4755e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.412647312244798 (3.54764e-06% change) linmin: converged after 4 iterations. iteration 312: trace = 2.412647275682161 (1.51546e-06% change) large trace change predicted (7.70898e-06%) linmin: converged after 4 iterations. iteration 313: trace = 2.412647089582336 (7.71351e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.412646991303354 (4.07349e-06% change) large trace change predicted (1.2663e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.412646685458969 (1.26767e-05% change) linmin: converged after 4 iterations. iteration 316: trace = 2.412646421520225 (1.09398e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.412646177249891 (1.01246e-05% change) linmin: converged after 4 iterations. iteration 318: trace = 2.412646105544004 (2.97208e-06% change) large trace change predicted (1.07857e-05%) linmin: converged after 3 iterations. iteration 319: trace = 2.412645845148307 (1.0793e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.412645805511652 (1.64287e-06% change) large trace change predicted (6.90953e-06%) linmin: converged after 3 iterations. iteration 321: trace = 2.412645638760237 (6.91156e-06% change) linmin: converged after 4 iterations. iteration 322: trace = 2.412645543881315 (3.93257e-06% change) linmin: converged after 4 iterations. iteration 323: trace = 2.412645505425639 (1.59392e-06% change) linmin: converged after 5 iterations. iteration 324: trace = 2.412645439333454 (2.73941e-06% change) linmin: converged after 3 iterations. iteration 325: trace = 2.412645350612028 (3.67735e-06% change) linmin: converged after 4 iterations. iteration 326: trace = 2.412645332911752 (7.33646e-07% change) large trace change predicted (4.13889e-06%) linmin: converged after 3 iterations. iteration 327: trace = 2.412645233040211 (4.1395e-06% change) linmin: converged after 14 iterations. iteration 328: trace = 2.412645203184484 (1.23747e-06% change) linmin: converged after 3 iterations. iteration 329: trace = 2.412645181289248 (9.0752e-07% change) large trace change predicted (2.92479e-06%) linmin: converged after 4 iterations. iteration 330: trace = 2.412645110725745 (2.92474e-06% change) linmin: converged after 2 iterations. iteration 331: trace = 2.412645079210439 (1.30626e-06% change) linmin: converged after 4 iterations. iteration 332: trace = 2.412645016555152 (2.59695e-06% change) linmin: converged after 5 iterations. iteration 333: trace = 2.412644934169797 (3.41473e-06% change) linmin: converged after 4 iterations. iteration 334: trace = 2.412644856765547 (3.20827e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.412644734871159 (5.05231e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.412644539766192 (8.08677e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.412644430541675 (4.52717e-06% change) large trace change predicted (1.24159e-05%) linmin: converged after 4 iterations. iteration 338: trace = 2.412644131023137 (1.24145e-05% change) linmin: converged after 5 iterations. iteration 339: trace = 2.412643882971502 (1.02813e-05% change) linmin: converged after 4 iterations. iteration 340: trace = 2.412643726380697 (6.49042e-06% change) linmin: converged after 3 iterations. iteration 341: trace = 2.412643540563209 (7.70182e-06% change) linmin: converged after 5 iterations. iteration 342: trace = 2.412643423179353 (4.86536e-06% change) linmin: converged after 4 iterations. iteration 343: trace = 2.412643334084952 (3.69281e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.412643171690913 (6.73096e-06% change) linmin: converged after 4 iterations. iteration 345: trace = 2.412643149287357 (9.2859e-07% change) large trace change predicted (2.85708e-06%) linmin: converged after 3 iterations. iteration 346: trace = 2.412643080367303 (2.85662e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.41264302505136 (2.29275e-06% change) linmin: converged after 3 iterations. iteration 348: trace = 2.412643004927425 (8.34103e-07% change) large trace change predicted (3.61792e-06%) linmin: converged after 3 iterations. iteration 349: trace = 2.412642917646239 (3.61766e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.412642859445579 (2.41232e-06% change) linmin: converged after 23 iterations. iteration 351: trace = 2.412642844813104 (6.06492e-07% change) large trace change predicted (1.70473e-06%) linmin: converged after 3 iterations. iteration 352: trace = 2.412642803688283 (1.70455e-06% change) linmin: converged after 6 iterations. iteration 353: trace = 2.412642759301845 (1.83974e-06% change) linmin: converged after 4 iterations. iteration 354: trace = 2.412642744248763 (6.23925e-07% change) large trace change predicted (4.72137e-06%) linmin: converged after 4 iterations. iteration 355: trace = 2.412642630332591 (4.72163e-06% change) linmin: converged after 3 iterations. iteration 356: trace = 2.412642589756975 (1.68179e-06% change) large trace change predicted (5.04259e-06%) linmin: converged after 3 iterations. iteration 357: trace = 2.412642468081529 (5.04324e-06% change) linmin: converged after 4 iterations. iteration 358: trace = 2.412642375922279 (3.81985e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.412642328216889 (1.97731e-06% change) large trace change predicted (9.25169e-06%) linmin: converged after 3 iterations. iteration 360: trace = 2.41264210501252 (9.25145e-06% change) linmin: converged after 25 iterations. iteration 361: trace = 2.41264190884885 (8.13066e-06% change) linmin: converged after 5 iterations. iteration 362: trace = 2.41264181472791 (3.90116e-06% change) linmin: converged after 3 iterations. iteration 363: trace = 2.412641643121817 (7.11279e-06% change) linmin: converged after 4 iterations. iteration 364: trace = 2.412641531498043 (4.62662e-06% change) linmin: converged after 2 iterations. iteration 365: trace = 2.412641483554933 (1.98716e-06% change) large trace change predicted (4.8557e-06%) linmin: converged after 3 iterations. iteration 366: trace = 2.412641366411219 (4.85541e-06% change) linmin: converged after 23 iterations. iteration 367: trace = 2.412641317770237 (2.01609e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.41264129264454 (1.04142e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.412641255843273 (1.52535e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.412641206702936 (2.03679e-06% change) linmin: converged after 5 iterations. iteration 371: trace = 2.412641193433993 (5.49976e-07% change) large trace change predicted (2.88416e-06%) linmin: converged after 12 iterations. iteration 372: trace = 2.412641123854957 (2.88394e-06% change) linmin: converged after 6 iterations. iteration 373: trace = 2.412641111673959 (5.04882e-07% change) large trace change predicted (2.18833e-06%) linmin: converged after 3 iterations. iteration 374: trace = 2.412641058883741 (2.18807e-06% change) linmin: converged after 2 iterations. iteration 375: trace = 2.412641021181182 (1.56271e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.412641007196029 (5.79662e-07% change) large trace change predicted (2.3571e-06%) linmin: converged after 3 iterations. iteration 377: trace = 2.412640950335902 (2.35676e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.412640872040208 (3.24523e-06% change) linmin: converged after 9 iterations. iteration 379: trace = 2.412640857046176 (6.21478e-07% change) large trace change predicted (4.68049e-06%) linmin: converged after 4 iterations. iteration 380: trace = 2.412640744163901 (4.67878e-06% change) linmin: converged after 4 iterations. iteration 381: trace = 2.412640680759552 (2.62801e-06% change) linmin: converged after 5 iterations. iteration 382: trace = 2.412640631533238 (2.04035e-06% change) large trace change predicted (1.0186e-05%) linmin: converged after 4 iterations. iteration 383: trace = 2.412640386046092 (1.0175e-05% change) linmin: converged after 4 iterations. iteration 384: trace = 2.41264017655295 (8.68315e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.412640111861084 (2.68137e-06% change) linmin: converged after 3 iterations. iteration 386: trace = 2.412640001020523 (4.59416e-06% change) linmin: converged after 4 iterations. iteration 387: trace = 2.412639906186659 (3.93071e-06% change) linmin: converged after 8 iterations. iteration 388: trace = 2.412639875163693 (1.28585e-06% change) large trace change predicted (3.61999e-06%) linmin: converged after 4 iterations. iteration 389: trace = 2.412639787843438 (3.61928e-06% change) linmin: converged after 4 iterations. iteration 390: trace = 2.412639730956203 (2.35788e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.412639697743978 (1.37659e-06% change) large trace change predicted (2.82443e-06%) linmin: converged after 3 iterations. iteration 392: trace = 2.412639629618678 (2.82368e-06% change) linmin: converged after 4 iterations. iteration 393: trace = 2.412639614807787 (6.13887e-07% change) large trace change predicted (1.80279e-06%) linmin: converged after 4 iterations. iteration 394: trace = 2.412639571322255 (1.8024e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.412639520785221 (2.09468e-06% change) linmin: converged after 4 iterations. iteration 396: trace = 2.412639509208852 (4.79822e-07% change) large trace change predicted (3.38565e-06%) linmin: converged after 8 iterations. iteration 397: trace = 2.412639427535376 (3.38523e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.412639395629452 (1.32245e-06% change) linmin: converged after 11 iterations. iteration 399: trace = 2.412639348248921 (1.96385e-06% change) linmin: converged after 3 iterations. iteration 400: trace = 2.412639294455711 (2.22964e-06% change) linmin: converged after 2 iterations. iteration 401: trace = 2.412639258035655 (1.50955e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.412639190554862 (2.79697e-06% change) linmin: converged after 20 iterations. iteration 403: trace = 2.41263905959015 (5.42828e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.412639025377223 (1.41807e-06% change) large trace change predicted (8.1116e-06%) linmin: converged after 3 iterations. iteration 405: trace = 2.412638829658797 (8.11221e-06% change) linmin: converged after 9 iterations. iteration 406: trace = 2.412638654950277 (7.24139e-06% change) linmin: converged after 3 iterations. iteration 407: trace = 2.412638598791363 (2.3277e-06% change) large trace change predicted (1.43761e-05%) linmin: converged after 5 iterations. iteration 408: trace = 2.412638251955339 (1.43758e-05% change) linmin: converged after 5 iterations. iteration 409: trace = 2.41263806804024 (7.62299e-06% change) linmin: converged after 4 iterations. iteration 410: trace = 2.412637954368074 (4.71153e-06% change) linmin: converged after 2 iterations. iteration 411: trace = 2.4126378702081 (3.4883e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.412637808358002 (2.56359e-06% change) linmin: converged after 11 iterations. iteration 413: trace = 2.412637747018324 (2.54243e-06% change) linmin: converged after 2 iterations. iteration 414: trace = 2.412637670086128 (3.18872e-06% change) linmin: converged after 2 iterations. iteration 415: trace = 2.41263763000963 (1.66111e-06% change) linmin: converged after 2 iterations. iteration 416: trace = 2.412637610893117 (7.92349e-07% change) large trace change predicted (1.72997e-06%) linmin: converged after 23 iterations. iteration 417: trace = 2.412637569153494 (1.73004e-06% change) linmin: converged after 4 iterations. iteration 418: trace = 2.412637520374493 (2.02181e-06% change) linmin: converged after 4 iterations. iteration 419: trace = 2.412637490056796 (1.25662e-06% change) resetting CG direction... linmin: converged after 37 iterations. iteration 420: trace = 2.412637461836419 (1.16969e-06% change) linmin: converged after 26 iterations. iteration 421: trace = 2.412637422063909 (1.64851e-06% change) linmin: converged after 10 iterations. iteration 422: trace = 2.412637385152995 (1.5299e-06% change) linmin: converged after 3 iterations. iteration 423: trace = 2.412637370796596 (5.9505e-07% change) large trace change predicted (1.80367e-06%) linmin: converged after 2 iterations. iteration 424: trace = 2.412637327279852 (1.8037e-06% change) linmin: converged after 3 iterations. iteration 425: trace = 2.412637258979955 (2.83092e-06% change) linmin: converged after 4 iterations. iteration 426: trace = 2.412637239659023 (8.00822e-07% change) large trace change predicted (3.59485e-06%) linmin: converged after 7 iterations. iteration 427: trace = 2.412637152925136 (3.59498e-06% change) linmin: converged after 3 iterations. iteration 428: trace = 2.412637091234963 (2.55696e-06% change) linmin: converged after 5 iterations. iteration 429: trace = 2.412637052961576 (1.58637e-06% change) large trace change predicted (8.00613e-06%) linmin: converged after 3 iterations. iteration 430: trace = 2.412636859775859 (8.00724e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.412636737527146 (5.06702e-06% change) linmin: converged after 5 iterations. iteration 432: trace = 2.412636571570054 (6.87866e-06% change) linmin: converged after 3 iterations. iteration 433: trace = 2.412636453794437 (4.88161e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.41263637227653 (3.37879e-06% change) linmin: converged after 4 iterations. iteration 435: trace = 2.412636272347467 (4.1419e-06% change) linmin: converged after 3 iterations. iteration 436: trace = 2.412636181631174 (3.76005e-06% change) linmin: converged after 3 iterations. iteration 437: trace = 2.412636132225534 (2.04779e-06% change) linmin: converged after 5 iterations. iteration 438: trace = 2.412636113738276 (7.66268e-07% change) linmin: converged after 5 iterations. iteration 439: trace = 2.412636076883901 (1.52756e-06% change) linmin: converged after 21 iterations. iteration 440: trace = 2.412636046674913 (1.25212e-06% change) linmin: converged after 25 iterations. iteration 441: trace = 2.412636033138629 (5.61058e-07% change) large trace change predicted (2.01909e-06%) linmin: converged after 3 iterations. iteration 442: trace = 2.412635984420391 (2.01929e-06% change) linmin: converged after 6 iterations. iteration 443: trace = 2.412635978767852 (2.34289e-07% change) large trace change predicted (1.72274e-06%) linmin: converged after 3 iterations. iteration 444: trace = 2.412635937196194 (1.72308e-06% change) linmin: converged after 3 iterations. iteration 445: trace = 2.41263591745279 (8.18333e-07% change) linmin: converged after 13 iterations. iteration 446: trace = 2.412635907137475 (4.27554e-07% change) large trace change predicted (1.84736e-06%) linmin: converged after 4 iterations. iteration 447: trace = 2.412635862549712 (1.84809e-06% change) linmin: converged after 3 iterations. iteration 448: trace = 2.412635846399404 (6.69405e-07% change) large trace change predicted (1.37742e-06%) linmin: converged after 6 iterations. iteration 449: trace = 2.412635813159552 (1.37774e-06% change) linmin: converged after 5 iterations. iteration 450: trace = 2.412635770365978 (1.77373e-06% change) linmin: converged after 2 iterations. iteration 451: trace = 2.412635750730444 (8.13862e-07% change) large trace change predicted (1.79047e-06%) linmin: converged after 5 iterations. iteration 452: trace = 2.412635707525042 (1.7908e-06% change) linmin: converged after 3 iterations. iteration 453: trace = 2.412635632280543 (3.11877e-06% change) linmin: converged after 2 iterations. iteration 454: trace = 2.412635606637174 (1.06288e-06% change) large trace change predicted (4.82637e-06%) linmin: converged after 3 iterations. iteration 455: trace = 2.41263549011407 (4.8297e-06% change) linmin: converged after 3 iterations. iteration 456: trace = 2.412635412984554 (3.1969e-06% change) linmin: converged after 5 iterations. iteration 457: trace = 2.412635330996352 (3.39828e-06% change) linmin: converged after 3 iterations. iteration 458: trace = 2.412635285448702 (1.88788e-06% change) linmin: converged after 4 iterations. iteration 459: trace = 2.412635209854777 (3.13325e-06% change) linmin: converged after 2 iterations. iteration 460: trace = 2.412635200585132 (3.84212e-07% change) large trace change predicted (1.50984e-06%) linmin: converged after 3 iterations. iteration 461: trace = 2.412635164153197 (1.51005e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.41263513479678 (1.21678e-06% change) linmin: converged after 2 iterations. iteration 463: trace = 2.412635126557433 (3.41508e-07% change) large trace change predicted (7.16386e-07%) linmin: converged after 2 iterations. iteration 464: trace = 2.412635109273548 (7.1639e-07% change) linmin: converged after 4 iterations. iteration 465: trace = 2.41263508246062 (1.11135e-06% change) linmin: converged after 2 iterations. iteration 466: trace = 2.412635075327449 (2.95659e-07% change) large trace change predicted (1.43069e-06%) linmin: converged after 3 iterations. iteration 467: trace = 2.412635040809578 (1.43071e-06% change) linmin: converged after 19 iterations. iteration 468: trace = 2.412635035295058 (2.28568e-07% change) large trace change predicted (6.50671e-07%) linmin: converged after 3 iterations. iteration 469: trace = 2.412635019596424 (6.50684e-07% change) linmin: converged after 3 iterations. iteration 470: trace = 2.412634992251697 (1.1334e-06% change) linmin: converged after 3 iterations. iteration 471: trace = 2.412634986950811 (2.19714e-07% change) large trace change predicted (1.39549e-06%) linmin: converged after 3 iterations. iteration 472: trace = 2.412634953285932 (1.39536e-06% change) linmin: converged after 6 iterations. iteration 473: trace = 2.412634914603901 (1.60331e-06% change) linmin: converged after 5 iterations. iteration 474: trace = 2.41263489795668 (6.90002e-07% change) large trace change predicted (2.33508e-06%) linmin: converged after 3 iterations. iteration 475: trace = 2.412634841612952 (2.33536e-06% change) linmin: converged after 5 iterations. iteration 476: trace = 2.412634784959861 (2.34818e-06% change) linmin: converged after 2 iterations. iteration 477: trace = 2.412634757823982 (1.12474e-06% change) large trace change predicted (4.58615e-06%) linmin: converged after 4 iterations. iteration 478: trace = 2.412634647181987 (4.58594e-06% change) linmin: converged after 4 iterations. iteration 479: trace = 2.41263460232079 (1.85943e-06% change) linmin: converged after 5 iterations. iteration 480: trace = 2.41263452617724 (3.15603e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.412634473371547 (2.18871e-06% change) linmin: converged after 19 iterations. iteration 482: trace = 2.412634433120973 (1.66832e-06% change) linmin: converged after 4 iterations. iteration 483: trace = 2.412634419686824 (5.56825e-07% change) large trace change predicted (1.73249e-06%) linmin: converged after 3 iterations. iteration 484: trace = 2.412634377890523 (1.73239e-06% change) linmin: converged after 5 iterations. iteration 485: trace = 2.412634372053955 (2.41917e-07% change) large trace change predicted (8.30937e-07%) linmin: converged after 16 iterations. iteration 486: trace = 2.412634352006608 (8.30932e-07% change) linmin: converged after 4 iterations. iteration 487: trace = 2.412634338410168 (5.63552e-07% change) linmin: converged after 33 iterations. iteration 488: trace = 2.412634332981738 (2.25e-07% change) large trace change predicted (7.47497e-07%) linmin: converged after 2 iterations. iteration 489: trace = 2.412634314947199 (7.47504e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.412634300150948 (6.13282e-07% change) linmin: converged after 6 iterations. iteration 491: trace = 2.412634295241867 (2.03474e-07% change) large trace change predicted (5.46002e-07%) linmin: converged after 4 iterations. iteration 492: trace = 2.412634282068757 (5.46005e-07% change) linmin: converged after 4 iterations. iteration 493: trace = 2.412634265485243 (6.87361e-07% change) linmin: converged after 3 iterations. iteration 494: trace = 2.412634260110126 (2.2279e-07% change) large trace change predicted (1.6288e-06%) linmin: converged after 2 iterations. iteration 495: trace = 2.412634220812826 (1.62881e-06% change) linmin: converged after 23 iterations. iteration 496: trace = 2.41263421181123 (3.73102e-07% change) large trace change predicted (9.92174e-07%) linmin: converged after 19 iterations. iteration 497: trace = 2.412634187873508 (9.92182e-07% change) large trace change predicted (2.26742e-06%) linmin: converged after 4 iterations. iteration 498: trace = 2.412634133169127 (2.26741e-06% change) linmin: converged after 3 iterations. iteration 499: trace = 2.412634119882701 (5.50702e-07% change) large trace change predicted (3.23838e-06%) linmin: converged after 5 iterations. iteration 500: trace = 2.412634041749078 (3.23852e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.412633963062304 (3.26145e-06% change) linmin: converged after 3 iterations. iteration 502: trace = 2.412633939997421 (9.56004e-07% change) linmin: converged after 3 iterations. iteration 503: trace = 2.41263389600519 (1.82341e-06% change) linmin: converged after 5 iterations. iteration 504: trace = 2.412633851756059 (1.83406e-06% change) linmin: converged after 3 iterations. iteration 505: trace = 2.412633836871628 (6.16937e-07% change) large trace change predicted (1.52743e-06%) linmin: converged after 3 iterations. iteration 506: trace = 2.41263380001807 (1.52752e-06% change) linmin: converged after 19 iterations. iteration 507: trace = 2.412633779144836 (8.65164e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.412633772650124 (2.69196e-07% change) linmin: converged after 3 iterations. iteration 509: trace = 2.41263376084543 (4.89287e-07% change) linmin: converged after 3 iterations. iteration 510: trace = 2.412633742575502 (7.57261e-07% change) linmin: converged after 3 iterations. iteration 511: trace = 2.412633738690095 (1.61044e-07% change) large trace change predicted (9.53845e-07%) linmin: converged after 8 iterations. iteration 512: trace = 2.412633715678568 (9.53793e-07% change) linmin: converged after 13 iterations. iteration 513: trace = 2.412633712018798 (1.51692e-07% change) large trace change predicted (7.4822e-07%) linmin: converged after 4 iterations. iteration 514: trace = 2.412633693968217 (7.48169e-07% change) linmin: converged after 2 iterations. iteration 515: trace = 2.412633677830488 (6.68884e-07% change) linmin: converged after 7 iterations. iteration 516: trace = 2.412633673498156 (1.79569e-07% change) large trace change predicted (9.78752e-07%) linmin: converged after 3 iterations. iteration 517: trace = 2.412633649886695 (9.78659e-07% change) linmin: converged after 4 iterations. iteration 518: trace = 2.412633624126148 (1.06774e-06% change) linmin: converged after 2 iterations. iteration 519: trace = 2.41263361841423 (2.3675e-07% change) large trace change predicted (1.47906e-06%) linmin: converged after 3 iterations. iteration 520: trace = 2.412633582735239 (1.47884e-06% change) linmin: converged after 7 iterations. iteration 521: trace = 2.412633546948009 (1.48333e-06% change) linmin: converged after 4 iterations. iteration 522: trace = 2.41263348544075 (2.54938e-06% change) linmin: converged after 12 iterations. iteration 523: trace = 2.412633439590564 (1.90042e-06% change) linmin: converged after 5 iterations. iteration 524: trace = 2.412633370423544 (2.86687e-06% change) linmin: converged after 3 iterations. iteration 525: trace = 2.412633347840773 (9.36022e-07% change) linmin: converged after 3 iterations. iteration 526: trace = 2.412633307955387 (1.65319e-06% change) linmin: converged after 3 iterations. iteration 527: trace = 2.412633273147848 (1.44272e-06% change) linmin: converged after 29 iterations. iteration 528: trace = 2.412633262489179 (4.41786e-07% change) large trace change predicted (1.30939e-06%) linmin: converged after 3 iterations. iteration 529: trace = 2.412633230905143 (1.30911e-06% change) linmin: converged after 3 iterations. iteration 530: trace = 2.412633206840749 (9.97433e-07% change) linmin: converged after 13 iterations. iteration 531: trace = 2.412633200936574 (2.44719e-07% change) large trace change predicted (1.05694e-06%) linmin: converged after 3 iterations. iteration 532: trace = 2.412633175442258 (1.0567e-06% change) linmin: converged after 10 iterations. iteration 533: trace = 2.412633168222967 (2.99229e-07% change) linmin: converged after 3 iterations. iteration 534: trace = 2.412633158476981 (4.03956e-07% change) large trace change predicted (9.6653e-07%) linmin: converged after 4 iterations. iteration 535: trace = 2.412633135161465 (9.66393e-07% change) linmin: converged after 4 iterations. iteration 536: trace = 2.41263312653655 (3.5749e-07% change) large trace change predicted (7.73713e-07%) linmin: converged after 4 iterations. iteration 537: trace = 2.412633107870155 (7.73694e-07% change) linmin: converged after 4 iterations. iteration 538: trace = 2.412633097143944 (4.44585e-07% change) linmin: converged after 4 iterations. iteration 539: trace = 2.412633087428071 (4.02708e-07% change) large trace change predicted (9.79657e-07%) linmin: converged after 6 iterations. iteration 540: trace = 2.412633063790916 (9.79724e-07% change) linmin: converged after 3 iterations. iteration 541: trace = 2.412633039678841 (9.99409e-07% change) linmin: converged after 2 iterations. iteration 542: trace = 2.41263302600683 (5.66684e-07% change) large trace change predicted (1.72997e-06%) linmin: converged after 3 iterations. iteration 543: trace = 2.412632984268974 (1.72997e-06% change) linmin: converged after 9 iterations. iteration 544: trace = 2.412632956748031 (1.1407e-06% change) linmin: converged after 16 iterations. iteration 545: trace = 2.4126329182803 (1.59443e-06% change) linmin: converged after 3 iterations. iteration 546: trace = 2.412632854540752 (2.64191e-06% change) linmin: converged after 2 iterations. iteration 547: trace = 2.412632806870938 (1.97584e-06% change) large trace change predicted (3.95876e-06%) linmin: converged after 3 iterations. iteration 548: trace = 2.4126327113534 (3.95906e-06% change) linmin: converged after 3 iterations. iteration 549: trace = 2.412632631852261 (3.2952e-06% change) linmin: converged after 4 iterations. iteration 550: trace = 2.412632613196227 (7.73265e-07% change) linmin: converged after 2 iterations. iteration 551: trace = 2.412632585585498 (1.14442e-06% change) linmin: converged after 3 iterations. iteration 552: trace = 2.412632559925147 (1.06358e-06% change) linmin: converged after 5 iterations. iteration 553: trace = 2.412632549432359 (4.3491e-07% change) large trace change predicted (1.0846e-06%) linmin: converged after 2 iterations. iteration 554: trace = 2.412632523264577 (1.08462e-06% change) linmin: converged after 4 iterations. iteration 555: trace = 2.412632509436549 (5.73151e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.412632503266173 (2.55753e-07% change) large trace change predicted (5.80132e-07%) linmin: converged after 3 iterations. iteration 557: trace = 2.412632489269159 (5.80155e-07% change) linmin: converged after 3 iterations. iteration 558: trace = 2.412632477608584 (4.83313e-07% change) linmin: converged after 2 iterations. iteration 559: trace = 2.412632465379013 (5.06897e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.41263245369378 (4.84335e-07% change) linmin: converged after 30 iterations. iteration 561: trace = 2.41263244335804 (4.28401e-07% change) linmin: converged after 4 iterations. iteration 562: trace = 2.412632430232763 (5.44023e-07% change) linmin: converged after 3 iterations. iteration 563: trace = 2.412632423731303 (2.69476e-07% change) linmin: converged after 3 iterations. iteration 564: trace = 2.412632410743588 (5.38321e-07% change) linmin: converged after 2 iterations. iteration 565: trace = 2.41263238748334 (9.64102e-07% change) linmin: converged after 6 iterations. iteration 566: trace = 2.412632377969501 (3.94334e-07% change) large trace change predicted (8.43205e-07%) linmin: converged after 8 iterations. iteration 567: trace = 2.412632357625399 (8.43233e-07% change) linmin: converged after 4 iterations. iteration 568: trace = 2.412632330923643 (1.10675e-06% change) linmin: converged after 3 iterations. iteration 569: trace = 2.412632316919374 (5.80456e-07% change) large trace change predicted (2.65367e-06%) linmin: converged after 3 iterations. iteration 570: trace = 2.412632252898448 (2.65357e-06% change) linmin: converged after 2 iterations. iteration 571: trace = 2.412632189217207 (2.63949e-06% change) linmin: converged after 4 iterations. iteration 572: trace = 2.412632144336174 (1.86025e-06% change) linmin: converged after 4 iterations. iteration 573: trace = 2.412632097787958 (1.92935e-06% change) linmin: converged after 3 iterations. iteration 574: trace = 2.412632061401309 (1.50817e-06% change) linmin: converged after 4 iterations. iteration 575: trace = 2.412632048557409 (5.32361e-07% change) large trace change predicted (1.14498e-06%) linmin: converged after 5 iterations. iteration 576: trace = 2.412632020932712 (1.145e-06% change) linmin: converged after 3 iterations. iteration 577: trace = 2.412632011126674 (4.06446e-07% change) linmin: converged after 2 iterations. iteration 578: trace = 2.412631995874579 (6.32177e-07% change) linmin: converged after 4 iterations. iteration 579: trace = 2.41263197896067 (7.01056e-07% change) linmin: converged after 3 iterations. iteration 580: trace = 2.412631973942156 (2.0801e-07% change) linmin: converged after 7 iterations. iteration 581: trace = 2.412631968292681 (2.34162e-07% change) large trace change predicted (6.12867e-07%) linmin: converged after 3 iterations. iteration 582: trace = 2.412631953505372 (6.12912e-07% change) linmin: converged after 31 iterations. iteration 583: trace = 2.412631950336109 (1.31361e-07% change) large trace change predicted (5.99932e-07%) linmin: converged after 4 iterations. iteration 584: trace = 2.412631935859884 (6.00018e-07% change) linmin: converged after 15 iterations. iteration 585: trace = 2.41263192768191 (3.38965e-07% change) linmin: converged after 7 iterations. iteration 586: trace = 2.412631922863373 (1.99721e-07% change) large trace change predicted (5.84064e-07%) linmin: converged after 3 iterations. iteration 587: trace = 2.412631908769953 (5.84151e-07% change) linmin: converged after 3 iterations. iteration 588: trace = 2.41263189445185 (5.93464e-07% change) linmin: converged after 3 iterations. iteration 589: trace = 2.412631889210663 (2.17239e-07% change) large trace change predicted (7.96732e-07%) linmin: converged after 3 iterations. iteration 590: trace = 2.412631869986904 (7.96796e-07% change) linmin: converged after 3 iterations. iteration 591: trace = 2.41263185711967 (5.33328e-07% change) linmin: converged after 3 iterations. iteration 592: trace = 2.412631847821285 (3.85404e-07% change) large trace change predicted (1.10194e-06%) linmin: converged after 4 iterations. iteration 593: trace = 2.412631821232198 (1.10208e-06% change) linmin: converged after 4 iterations. iteration 594: trace = 2.412631786206274 (1.45177e-06% change) linmin: converged after 3 iterations. iteration 595: trace = 2.41263176985648 (6.77675e-07% change) large trace change predicted (2.22662e-06%) linmin: converged after 3 iterations. iteration 596: trace = 2.412631716096847 (2.22826e-06% change) linmin: converged after 3 iterations. iteration 597: trace = 2.412631703763633 (5.11193e-07% change) linmin: converged after 4 iterations. iteration 598: trace = 2.412631694597279 (3.79932e-07% change) large trace change predicted (1.057e-06%) linmin: converged after 5 iterations. iteration 599: trace = 2.412631669090178 (1.05723e-06% change) linmin: converged after 24 iterations. iteration 600: trace = 2.412631666577382 (1.04152e-07% change) large trace change predicted (6.32033e-07%) linmin: converged after 3 iterations. iteration 601: trace = 2.412631651327268 (6.32095e-07% change) linmin: converged after 12 iterations. iteration 602: trace = 2.412631642500072 (3.65874e-07% change) linmin: converged after 10 iterations. iteration 603: trace = 2.412631639502962 (1.24226e-07% change) large trace change predicted (2.7101e-07%) linmin: converged after 2 iterations. iteration 604: trace = 2.412631632964456 (2.71011e-07% change) linmin: converged after 31 iterations. iteration 605: trace = 2.412631623224284 (4.03716e-07% change) linmin: converged after 10 iterations. iteration 606: trace = 2.412631621437908 (7.40426e-08% change) large trace change predicted (4.79149e-07%) linmin: converged after 16 iterations. iteration 607: trace = 2.412631609877675 (4.79154e-07% change) linmin: converged after 19 iterations. iteration 608: trace = 2.412631605161407 (1.95482e-07% change) linmin: converged after 25 iterations. iteration 609: trace = 2.412631599555391 (2.32361e-07% change) linmin: converged after 6 iterations. iteration 610: trace = 2.412631593178603 (2.64308e-07% change) linmin: converged after 3 iterations. iteration 611: trace = 2.41263158701481 (2.5548e-07% change) linmin: converged after 33 iterations. iteration 612: trace = 2.41263157963608 (3.05837e-07% change) large trace change predicted (6.98035e-07%) linmin: converged after 6 iterations. iteration 613: trace = 2.412631562796769 (6.97964e-07% change) linmin: converged after 17 iterations. iteration 614: trace = 2.412631553718684 (3.76273e-07% change) linmin: converged after 8 iterations. iteration 615: trace = 2.412631539941835 (5.7103e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.412631517181493 (9.43382e-07% change) linmin: converged after 28 iterations. iteration 617: trace = 2.41263150355989 (5.64595e-07% change) large trace change predicted (1.18514e-06%) linmin: converged after 4 iterations. iteration 618: trace = 2.412631474967517 (1.18511e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.412631442270336 (1.35525e-06% change) linmin: converged after 2 iterations. iteration 620: trace = 2.412631435127363 (2.96066e-07% change) large trace change predicted (1.13257e-06%) linmin: converged after 3 iterations. iteration 621: trace = 2.412631407804125 (1.13251e-06% change) linmin: converged after 6 iterations. iteration 622: trace = 2.412631401965749 (2.41992e-07% change) linmin: converged after 3 iterations. iteration 623: trace = 2.412631397521911 (1.84191e-07% change) large trace change predicted (5.10997e-07%) linmin: converged after 3 iterations. iteration 624: trace = 2.412631385193774 (5.10983e-07% change) linmin: converged after 3 iterations. iteration 625: trace = 2.412631378770197 (2.66248e-07% change) linmin: converged after 4 iterations. iteration 626: trace = 2.41263137484718 (1.62603e-07% change) linmin: converged after 11 iterations. iteration 627: trace = 2.412631370814226 (1.6716e-07% change) linmin: converged after 35 iterations. iteration 628: trace = 2.412631366116999 (1.94693e-07% change) linmin: converged after 16 iterations. iteration 629: trace = 2.412631356821822 (3.85271e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 630: trace = 2.412631348575617 (3.41793e-07% change) linmin: converged after 14 iterations. iteration 631: trace = 2.412631344775499 (1.57509e-07% change) linmin: converged after 14 iterations. iteration 632: trace = 2.41263134037631 (1.8234e-07% change) linmin: converged after 24 iterations. iteration 633: trace = 2.412631337019239 (1.39146e-07% change) linmin: converged after 3 iterations. iteration 634: trace = 2.412631331932099 (2.10854e-07% change) large trace change predicted (4.35955e-07%) linmin: converged after 2 iterations. iteration 635: trace = 2.412631321414021 (4.35959e-07% change) linmin: converged after 4 iterations. iteration 636: trace = 2.412631318506287 (1.20521e-07% change) linmin: converged after 4 iterations. iteration 637: trace = 2.412631312746789 (2.38723e-07% change) large trace change predicted (7.69623e-07%) linmin: converged after 5 iterations. iteration 638: trace = 2.412631294178333 (7.69635e-07% change) linmin: converged after 3 iterations. iteration 639: trace = 2.412631291034589 (1.30304e-07% change) large trace change predicted (1.09448e-06%) linmin: converged after 3 iterations. iteration 640: trace = 2.412631264628368 (1.0945e-06% change) linmin: converged after 3 iterations. iteration 641: trace = 2.41263124912147 (6.42738e-07% change) linmin: converged after 2 iterations. iteration 642: trace = 2.412631239439007 (4.01324e-07% change) large trace change predicted (9.91288e-07%) linmin: converged after 2 iterations. iteration 643: trace = 2.412631215522822 (9.91291e-07% change) linmin: converged after 18 iterations. iteration 644: trace = 2.412631200366761 (6.28196e-07% change) linmin: converged after 4 iterations. iteration 645: trace = 2.412631192481276 (3.26842e-07% change) large trace change predicted (7.02471e-07%) linmin: converged after 6 iterations. iteration 646: trace = 2.412631175532277 (7.02511e-07% change) linmin: converged after 4 iterations. iteration 647: trace = 2.412631168356966 (2.97406e-07% change) linmin: converged after 20 iterations. iteration 648: trace = 2.412631164524544 (1.58848e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.412631160092022 (1.83721e-07% change) linmin: converged after 4 iterations. iteration 650: trace = 2.412631156216765 (1.60624e-07% change) linmin: converged after 13 iterations. iteration 651: trace = 2.412631151694931 (1.87423e-07% change) linmin: converged after 3 iterations. iteration 652: trace = 2.412631144549845 (2.96153e-07% change) linmin: converged after 21 iterations. iteration 653: trace = 2.412631142902795 (6.82678e-08% change) large trace change predicted (1.86389e-07%) linmin: converged after 3 iterations. iteration 654: trace = 2.412631138406192 (1.86378e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.412631130435484 (3.30374e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.41263112839775 (8.4461e-08% change) large trace change predicted (2.72789e-07%) linmin: converged after 4 iterations. iteration 657: trace = 2.412631121816636 (2.72777e-07% change) linmin: converged after 4 iterations. iteration 658: trace = 2.412631111959638 (4.08558e-07% change) linmin: converged after 27 iterations. iteration 659: trace = 2.412631109871882 (8.65344e-08% change) large trace change predicted (4.30123e-07%) linmin: converged after 5 iterations. iteration 660: trace = 2.412631099495444 (4.30088e-07% change) linmin: converged after 4 iterations. iteration 661: trace = 2.412631088750692 (4.45354e-07% change) linmin: converged after 3 iterations. iteration 662: trace = 2.412631085005991 (1.55212e-07% change) large trace change predicted (1.39051e-06%) linmin: converged after 3 iterations. iteration 663: trace = 2.412631051470876 (1.38998e-06% change) linmin: converged after 8 iterations. iteration 664: trace = 2.412631044534053 (2.87521e-07% change) large trace change predicted (1.23614e-06%) linmin: converged after 4 iterations. iteration 665: trace = 2.412631014718941 (1.23579e-06% change) linmin: converged after 3 iterations. iteration 666: trace = 2.41263100083395 (5.75512e-07% change) linmin: converged after 3 iterations. iteration 667: trace = 2.412630991920331 (3.69456e-07% change) linmin: converged after 3 iterations. iteration 668: trace = 2.412630983382888 (3.53864e-07% change) linmin: converged after 3 iterations. iteration 669: trace = 2.412630972064142 (4.69145e-07% change) linmin: converged after 4 iterations. iteration 670: trace = 2.412630969681539 (9.87554e-08% change) large trace change predicted (5.38462e-07%) linmin: converged after 3 iterations. iteration 671: trace = 2.412630956692355 (5.38383e-07% change) linmin: converged after 4 iterations. iteration 672: trace = 2.412630950687375 (2.48898e-07% change) linmin: converged after 3 iterations. iteration 673: trace = 2.412630946401386 (1.77648e-07% change) linmin: converged after 9 iterations. iteration 674: trace = 2.41263094178895 (1.91179e-07% change) linmin: converged after 24 iterations. iteration 675: trace = 2.412630934478377 (3.03012e-07% change) linmin: converged after 4 iterations. iteration 676: trace = 2.412630933127947 (5.59733e-08% change) large trace change predicted (3.44664e-07%) linmin: converged after 6 iterations. iteration 677: trace = 2.412630924812629 (3.44658e-07% change) linmin: converged after 7 iterations. iteration 678: trace = 2.412630919927929 (2.02464e-07% change) linmin: converged after 3 iterations. iteration 679: trace = 2.41263091635969 (1.47898e-07% change) linmin: converged after 23 iterations. iteration 680: trace = 2.412630910426177 (2.45935e-07% change) linmin: converged after 24 iterations. iteration 681: trace = 2.412630901972597 (3.50388e-07% change) linmin: converged after 3 iterations. iteration 682: trace = 2.412630897961046 (1.66273e-07% change) large trace change predicted (5.35305e-07%) linmin: converged after 3 iterations. iteration 683: trace = 2.412630885046321 (5.35296e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.412630878513609 (2.70771e-07% change) large trace change predicted (9.49463e-07%) linmin: converged after 18 iterations. iteration 685: trace = 2.412630855606361 (9.49472e-07% change) linmin: converged after 19 iterations. iteration 686: trace = 2.412630840618719 (6.21216e-07% change) linmin: converged after 3 iterations. iteration 687: trace = 2.412630829084438 (4.78079e-07% change) large trace change predicted (1.5255e-06%) linmin: converged after 4 iterations. iteration 688: trace = 2.412630792274733 (1.52571e-06% change) linmin: converged after 16 iterations. iteration 689: trace = 2.412630775594847 (6.91357e-07% change) linmin: converged after 27 iterations. iteration 690: trace = 2.412630758540615 (7.06873e-07% change) linmin: converged after 5 iterations. iteration 691: trace = 2.412630748164281 (4.30084e-07% change) linmin: converged after 20 iterations. iteration 692: trace = 2.412630739295457 (3.676e-07% change) linmin: converged after 12 iterations. iteration 693: trace = 2.412630734745228 (1.886e-07% change) linmin: converged after 24 iterations. iteration 694: trace = 2.412630725898428 (3.66687e-07% change) linmin: converged after 2 iterations. iteration 695: trace = 2.412630722953378 (1.22068e-07% change) linmin: converged after 3 iterations. iteration 696: trace = 2.412630717528356 (2.24859e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.412630712908632 (1.91481e-07% change) linmin: converged after 3 iterations. iteration 698: trace = 2.412630708134426 (1.97884e-07% change) linmin: converged after 19 iterations. iteration 699: trace = 2.412630705452566 (1.11159e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.412630702900199 (1.05792e-07% change) linmin: converged after 7 iterations. iteration 701: trace = 2.412630698721329 (1.73208e-07% change) linmin: converged after 7 iterations. iteration 702: trace = 2.412630694195756 (1.87578e-07% change) linmin: converged after 20 iterations. iteration 703: trace = 2.412630691729648 (1.02217e-07% change) large trace change predicted (2.11554e-07%) linmin: converged after 3 iterations. iteration 704: trace = 2.412630686625747 (2.11549e-07% change) linmin: converged after 3 iterations. iteration 705: trace = 2.412630679417385 (2.98776e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.412630676464367 (1.22398e-07% change) large trace change predicted (3.35451e-07%) linmin: converged after 15 iterations. iteration 707: trace = 2.412630668371055 (3.35456e-07% change) linmin: converged after 26 iterations. iteration 708: trace = 2.412630660066947 (3.44193e-07% change) linmin: converged after 21 iterations. iteration 709: trace = 2.412630655300423 (1.97565e-07% change) large trace change predicted (9.85635e-07%) linmin: converged after 5 iterations. iteration 710: trace = 2.412630631521224 (9.85613e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.412630608200811 (9.66597e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.412630595400104 (5.30571e-07% change) linmin: converged after 5 iterations. iteration 713: trace = 2.412630583487556 (4.93758e-07% change) linmin: converged after 21 iterations. iteration 714: trace = 2.412630570397255 (5.42574e-07% change) linmin: converged after 2 iterations. iteration 715: trace = 2.412630561316741 (3.76374e-07% change) linmin: converged after 3 iterations. iteration 716: trace = 2.412630551927635 (3.89165e-07% change) linmin: converged after 10 iterations. iteration 717: trace = 2.412630549969792 (8.11497e-08% change) large trace change predicted (2.62939e-07%) linmin: converged after 3 iterations. iteration 718: trace = 2.412630543625931 (2.62944e-07% change) linmin: converged after 7 iterations. iteration 719: trace = 2.41263053932054 (1.78452e-07% change) linmin: converged after 4 iterations. iteration 720: trace = 2.412630537377462 (8.05377e-08% change) linmin: converged after 7 iterations. iteration 721: trace = 2.412630534065912 (1.37259e-07% change) linmin: converged after 4 iterations. iteration 722: trace = 2.412630529173448 (2.02785e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.412630527477726 (7.02852e-08% change) large trace change predicted (1.68396e-07%) linmin: converged after 19 iterations. iteration 724: trace = 2.412630523414882 (1.68399e-07% change) linmin: converged after 5 iterations. iteration 725: trace = 2.412630520770119 (1.09622e-07% change) linmin: converged after 6 iterations. iteration 726: trace = 2.412630519124897 (6.8192e-08% change) large trace change predicted (2.48063e-07%) linmin: converged after 17 iterations. iteration 727: trace = 2.412630513139425 (2.48089e-07% change) linmin: converged after 3 iterations. iteration 728: trace = 2.412630511876392 (5.23509e-08% change) large trace change predicted (2.20921e-07%) linmin: converged after 3 iterations. iteration 729: trace = 2.412630506545948 (2.20939e-07% change) linmin: converged after 3 iterations. iteration 730: trace = 2.412630500855044 (2.3588e-07% change) linmin: converged after 9 iterations. iteration 731: trace = 2.412630493746356 (2.94645e-07% change) linmin: converged after 3 iterations. iteration 732: trace = 2.412630490600628 (1.30386e-07% change) large trace change predicted (3.55075e-07%) linmin: converged after 15 iterations. iteration 733: trace = 2.412630482033123 (3.55111e-07% change) linmin: converged after 6 iterations. iteration 734: trace = 2.412630467997332 (5.81763e-07% change) linmin: converged after 13 iterations. iteration 735: trace = 2.412630461475286 (2.70329e-07% change) large trace change predicted (8.04978e-07%) linmin: converged after 5 iterations. iteration 736: trace = 2.412630442046265 (8.05304e-07% change) linmin: converged after 6 iterations. iteration 737: trace = 2.412630438149124 (1.61531e-07% change) linmin: converged after 28 iterations. iteration 738: trace = 2.412630434604044 (1.46938e-07% change) large trace change predicted (3.61263e-07%) linmin: converged after 5 iterations. iteration 739: trace = 2.412630425887123 (3.61304e-07% change) linmin: converged after 22 iterations. iteration 740: trace = 2.412630424476987 (5.84481e-08% change) large trace change predicted (1.66958e-07%) linmin: converged after 23 iterations. iteration 741: trace = 2.412630420448752 (1.66964e-07% change) linmin: converged after 23 iterations. iteration 742: trace = 2.412630416581729 (1.60282e-07% change) linmin: converged after 3 iterations. iteration 743: trace = 2.412630415566934 (4.20618e-08% change) large trace change predicted (9.5054e-08%) linmin: converged after 26 iterations. iteration 744: trace = 2.412630413273622 (9.50544e-08% change) linmin: converged after 8 iterations. iteration 745: trace = 2.412630409750568 (1.46025e-07% change) linmin: converged after 4 iterations. iteration 746: trace = 2.412630408899045 (3.52944e-08% change) large trace change predicted (1.74437e-07%) linmin: converged after 2 iterations. iteration 747: trace = 2.412630404690509 (1.74438e-07% change) linmin: converged after 3 iterations. iteration 748: trace = 2.412630402828781 (7.71659e-08% change) linmin: converged after 5 iterations. iteration 749: trace = 2.41263040125073 (6.54079e-08% change) linmin: converged after 2 iterations. iteration 750: trace = 2.412630398787035 (1.02117e-07% change) linmin: converged after 8 iterations. iteration 751: trace = 2.412630396692446 (8.68176e-08% change) linmin: converged after 4 iterations. iteration 752: trace = 2.412630393831708 (1.18573e-07% change) linmin: converged after 6 iterations. iteration 753: trace = 2.412630388799679 (2.0857e-07% change) linmin: converged after 4 iterations. iteration 754: trace = 2.412630386543187 (9.35283e-08% change) large trace change predicted (2.19226e-07%) linmin: converged after 5 iterations. iteration 755: trace = 2.412630381254233 (2.19219e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.412630372666863 (3.55934e-07% change) linmin: converged after 7 iterations. iteration 757: trace = 2.412630369953678 (1.12458e-07% change) large trace change predicted (5.4323e-07%) linmin: converged after 4 iterations. iteration 758: trace = 2.412630356847925 (5.43214e-07% change) linmin: converged after 4 iterations. iteration 759: trace = 2.412630345477035 (4.71307e-07% change) linmin: converged after 4 iterations. iteration 760: trace = 2.412630343402828 (8.59728e-08% change) large trace change predicted (3.18989e-07%) linmin: converged after 3 iterations. iteration 761: trace = 2.412630335707014 (3.1898e-07% change) linmin: converged after 3 iterations. iteration 762: trace = 2.412630333198186 (1.03987e-07% change) linmin: converged after 19 iterations. iteration 763: trace = 2.412630331974383 (5.07248e-08% change) large trace change predicted (1.87012e-07%) linmin: converged after 3 iterations. iteration 764: trace = 2.41263032746255 (1.87009e-07% change) linmin: converged after 4 iterations. iteration 765: trace = 2.412630326563659 (3.72577e-08% change) large trace change predicted (9.19309e-08%) linmin: converged after 10 iterations. iteration 766: trace = 2.412630324345699 (9.19312e-08% change) linmin: converged after 4 iterations. iteration 767: trace = 2.412630322187022 (8.9474e-08% change) linmin: converged after 10 iterations. iteration 768: trace = 2.412630321514101 (2.78916e-08% change) large trace change predicted (7.72777e-08%) linmin: converged after 7 iterations. iteration 769: trace = 2.412630319649701 (7.72767e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.412630317868127 (7.38436e-08% change) linmin: converged after 3 iterations. iteration 771: trace = 2.412630317237427 (2.61416e-08% change) large trace change predicted (8.7879e-08%) linmin: converged after 26 iterations. iteration 772: trace = 2.412630315117234 (8.78789e-08% change) linmin: converged after 4 iterations. iteration 773: trace = 2.412630313020271 (8.69161e-08% change) linmin: converged after 5 iterations. iteration 774: trace = 2.412630312173231 (3.51085e-08% change) large trace change predicted (1.58423e-07%) linmin: converged after 2 iterations. iteration 775: trace = 2.412630308351077 (1.58423e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.412630306755297 (6.61427e-08% change) linmin: converged after 6 iterations. iteration 777: trace = 2.412630305150861 (6.65015e-08% change) large trace change predicted (3.1318e-07%) linmin: converged after 9 iterations. iteration 778: trace = 2.412630297594885 (3.13184e-07% change) linmin: converged after 11 iterations. iteration 779: trace = 2.412630296100234 (6.19511e-08% change) large trace change predicted (3.95827e-07%) linmin: converged after 3 iterations. iteration 780: trace = 2.412630286550218 (3.95834e-07% change) linmin: converged after 7 iterations. iteration 781: trace = 2.412630279542905 (2.90443e-07% change) linmin: converged after 3 iterations. iteration 782: trace = 2.412630275350564 (1.73766e-07% change) linmin: converged after 3 iterations. iteration 783: trace = 2.412630269668914 (2.35496e-07% change) linmin: converged after 19 iterations. iteration 784: trace = 2.412630262832058 (2.83378e-07% change) linmin: converged after 4 iterations. iteration 785: trace = 2.412630261446174 (5.74428e-08% change) large trace change predicted (1.87201e-07%) linmin: converged after 9 iterations. iteration 786: trace = 2.412630256929665 (1.87203e-07% change) linmin: converged after 9 iterations. iteration 787: trace = 2.412630254537486 (9.91523e-08% change) linmin: converged after 3 iterations. iteration 788: trace = 2.412630253518343 (4.2242e-08% change) linmin: converged after 19 iterations. iteration 789: trace = 2.412630251920914 (6.62111e-08% change) linmin: converged after 8 iterations. iteration 790: trace = 2.41263024910309 (1.16795e-07% change) linmin: converged after 4 iterations. iteration 791: trace = 2.412630248726472 (1.56103e-08% change) large trace change predicted (1.09238e-07%) linmin: converged after 9 iterations. iteration 792: trace = 2.412630246091002 (1.09236e-07% change) linmin: converged after 3 iterations. iteration 793: trace = 2.412630244922155 (4.8447e-08% change) linmin: converged after 18 iterations. iteration 794: trace = 2.412630244232069 (2.8603e-08% change) large trace change predicted (1.34397e-07%) linmin: converged after 3 iterations. iteration 795: trace = 2.412630240989678 (1.34392e-07% change) linmin: converged after 4 iterations. iteration 796: trace = 2.412630240262083 (3.01578e-08% change) large trace change predicted (1.1302e-07%) linmin: converged after 3 iterations. iteration 797: trace = 2.412630237535456 (1.13015e-07% change) linmin: converged after 5 iterations. iteration 798: trace = 2.412630234820691 (1.12523e-07% change) linmin: converged after 3 iterations. iteration 799: trace = 2.41263023377728 (4.32478e-08% change) large trace change predicted (1.02522e-07%) linmin: converged after 10 iterations. iteration 800: trace = 2.41263023130382 (1.02521e-07% change) large trace change predicted (2.76893e-07%) linmin: converged after 5 iterations. iteration 801: trace = 2.412630224624287 (2.76857e-07% change) linmin: converged after 17 iterations. iteration 802: trace = 2.412630222255615 (9.8178e-08% change) large trace change predicted (4.92994e-07%) linmin: converged after 4 iterations. iteration 803: trace = 2.412630210364647 (4.92863e-07% change) linmin: converged after 3 iterations. iteration 804: trace = 2.412630200433205 (4.11644e-07% change) linmin: converged after 28 iterations. iteration 805: trace = 2.412630195941604 (1.8617e-07% change) linmin: converged after 4 iterations. iteration 806: trace = 2.412630193608453 (9.67057e-08% change) large trace change predicted (2.60639e-07%) linmin: converged after 5 iterations. iteration 807: trace = 2.412630187320838 (2.60612e-07% change) linmin: converged after 4 iterations. iteration 808: trace = 2.412630183176117 (1.71793e-07% change) linmin: converged after 4 iterations. iteration 809: trace = 2.412630182068422 (4.59124e-08% change) large trace change predicted (1.43362e-07%) linmin: converged after 10 iterations. iteration 810: trace = 2.412630178609815 (1.43354e-07% change) linmin: converged after 21 iterations. iteration 811: trace = 2.412630177234165 (5.70187e-08% change) linmin: converged after 18 iterations. iteration 812: trace = 2.412630176226698 (4.17581e-08% change) large trace change predicted (1.13102e-07%) linmin: converged after 4 iterations. iteration 813: trace = 2.412630173498098 (1.13096e-07% change) linmin: converged after 11 iterations. iteration 814: trace = 2.412630172429498 (4.42919e-08% change) large trace change predicted (9.31313e-08%) linmin: converged after 6 iterations. iteration 815: trace = 2.412630170182694 (9.31268e-08% change) linmin: converged after 7 iterations. iteration 816: trace = 2.412630168425175 (7.28466e-08% change) linmin: converged after 7 iterations. iteration 817: trace = 2.412630167335922 (4.5148e-08% change) linmin: converged after 34 iterations. iteration 818: trace = 2.4126301655405 (7.44176e-08% change) linmin: converged after 4 iterations. iteration 819: trace = 2.412630162508688 (1.25664e-07% change) linmin: converged after 6 iterations. iteration 820: trace = 2.412630161403833 (4.57946e-08% change) large trace change predicted (1.57552e-07%) linmin: converged after 3 iterations. iteration 821: trace = 2.412630157602701 (1.57551e-07% change) linmin: converged after 3 iterations. iteration 822: trace = 2.412630155205343 (9.9367e-08% change) linmin: converged after 13 iterations. iteration 823: trace = 2.412630152160419 (1.26208e-07% change) linmin: converged after 10 iterations. iteration 824: trace = 2.412630146434432 (2.37334e-07% change) linmin: converged after 7 iterations. iteration 825: trace = 2.412630140606383 (2.41564e-07% change) linmin: converged after 3 iterations. iteration 826: trace = 2.412630136110739 (1.86338e-07% change) large trace change predicted (6.51358e-07%) linmin: converged after 22 iterations. iteration 827: trace = 2.412630120394821 (6.51402e-07% change) linmin: converged after 13 iterations. iteration 828: trace = 2.412630118507895 (7.82103e-08% change) large trace change predicted (2.9953e-07%) linmin: converged after 19 iterations. iteration 829: trace = 2.412630111281268 (2.99533e-07% change) linmin: converged after 24 iterations. iteration 830: trace = 2.412630105783522 (2.27874e-07% change) linmin: converged after 16 iterations. iteration 831: trace = 2.412630103763826 (8.37134e-08% change) linmin: converged after 3 iterations. iteration 832: trace = 2.412630100578352 (1.32033e-07% change) linmin: converged after 3 iterations. iteration 833: trace = 2.412630097388273 (1.32224e-07% change) linmin: converged after 3 iterations. iteration 834: trace = 2.412630096662051 (3.01008e-08% change) large trace change predicted (1.06026e-07%) linmin: converged after 3 iterations. iteration 835: trace = 2.412630094104007 (1.06027e-07% change) linmin: converged after 4 iterations. iteration 836: trace = 2.412630093020168 (4.49236e-08% change) linmin: converged after 4 iterations. iteration 837: trace = 2.412630091649397 (5.68165e-08% change) linmin: converged after 3 iterations. iteration 838: trace = 2.412630090038643 (6.67634e-08% change) large trace change predicted (1.85395e-07%) linmin: converged after 5 iterations. iteration 839: trace = 2.412630085565559 (1.85403e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.41263008151028 (1.68085e-07% change) linmin: converged after 2 iterations. iteration 841: trace = 2.412630079878606 (6.76305e-08% change) linmin: converged after 4 iterations. iteration 842: trace = 2.412630078477312 (5.80816e-08% change) linmin: converged after 9 iterations. iteration 843: trace = 2.412630077511205 (4.00437e-08% change) large trace change predicted (1.0145e-07%) linmin: converged after 4 iterations. iteration 844: trace = 2.412630075063618 (1.01449e-07% change) linmin: converged after 13 iterations. iteration 845: trace = 2.412630074286727 (3.2201e-08% change) large trace change predicted (8.56865e-08%) linmin: converged after 3 iterations. iteration 846: trace = 2.412630072219485 (8.56842e-08% change) linmin: converged after 7 iterations. iteration 847: trace = 2.412630069692656 (1.04733e-07% change) linmin: converged after 3 iterations. iteration 848: trace = 2.412630068370095 (5.48183e-08% change) large trace change predicted (1.5323e-07%) linmin: converged after 4 iterations. iteration 849: trace = 2.412630064673256 (1.53229e-07% change) large trace change predicted (3.21858e-07%) linmin: converged after 7 iterations. iteration 850: trace = 2.412630056908164 (3.21852e-07% change) linmin: converged after 4 iterations. iteration 851: trace = 2.41263005546774 (5.97035e-08% change) large trace change predicted (4.3889e-07%) linmin: converged after 11 iterations. iteration 852: trace = 2.412630044879021 (4.38887e-07% change) linmin: converged after 10 iterations. iteration 853: trace = 2.412630040042149 (2.00481e-07% change) linmin: converged after 8 iterations. iteration 854: trace = 2.412630037298545 (1.13718e-07% change) linmin: converged after 7 iterations. iteration 855: trace = 2.412630032813382 (1.85903e-07% change) linmin: converged after 4 iterations. iteration 856: trace = 2.412630029399109 (1.41517e-07% change) linmin: converged after 2 iterations. iteration 857: trace = 2.412630028212164 (4.91971e-08% change) linmin: converged after 18 iterations. iteration 858: trace = 2.412630026220737 (8.25417e-08% change) linmin: converged after 16 iterations. iteration 859: trace = 2.412630024819416 (5.80827e-08% change) linmin: converged after 14 iterations. iteration 860: trace = 2.412630024026551 (3.28631e-08% change) linmin: converged after 3 iterations. iteration 861: trace = 2.412630022553406 (6.10597e-08% change) linmin: converged after 3 iterations. iteration 862: trace = 2.41263002171375 (3.48025e-08% change) linmin: converged after 9 iterations. iteration 863: trace = 2.412630020152418 (6.4715e-08% change) linmin: converged after 16 iterations. iteration 864: trace = 2.412630019147033 (4.16717e-08% change) linmin: converged after 6 iterations. iteration 865: trace = 2.41263001848697 (2.73587e-08% change) linmin: converged after 3 iterations. iteration 866: trace = 2.41263001729565 (4.93785e-08% change) linmin: converged after 26 iterations. iteration 867: trace = 2.412630015476 (7.54219e-08% change) linmin: converged after 3 iterations. iteration 868: trace = 2.412630014722096 (3.12482e-08% change) large trace change predicted (7.86228e-08%) linmin: converged after 23 iterations. iteration 869: trace = 2.412630012825134 (7.86263e-08% change) linmin: converged after 6 iterations. iteration 870: trace = 2.412630011092031 (7.18346e-08% change) linmin: converged after 3 iterations. iteration 871: trace = 2.412630010196684 (3.71108e-08% change) large trace change predicted (9.56084e-08%) linmin: converged after 21 iterations. iteration 872: trace = 2.412630007889925 (9.56118e-08% change) linmin: converged after 14 iterations. iteration 873: trace = 2.412630004057833 (1.58835e-07% change) linmin: converged after 5 iterations. iteration 874: trace = 2.412630000345374 (1.53876e-07% change) linmin: converged after 3 iterations. iteration 875: trace = 2.412629996960273 (1.40308e-07% change) linmin: converged after 4 iterations. iteration 876: trace = 2.41262999182819 (2.12717e-07% change) linmin: converged after 3 iterations. iteration 877: trace = 2.41262998997961 (7.6621e-08% change) linmin: converged after 7 iterations. iteration 878: trace = 2.412629987744847 (9.26277e-08% change) linmin: converged after 5 iterations. iteration 879: trace = 2.41262998472488 (1.25173e-07% change) linmin: converged after 4 iterations. iteration 880: trace = 2.41262998388736 (3.4714e-08% change) large trace change predicted (7.91859e-08%) linmin: converged after 4 iterations. iteration 881: trace = 2.412629981976823 (7.9189e-08% change) linmin: converged after 2 iterations. iteration 882: trace = 2.412629981234265 (3.07779e-08% change) linmin: converged after 4 iterations. iteration 883: trace = 2.41262998053784 (2.88658e-08% change) linmin: converged after 4 iterations. iteration 884: trace = 2.412629979558923 (4.05747e-08% change) linmin: converged after 3 iterations. iteration 885: trace = 2.412629978925704 (2.6246e-08% change) linmin: converged after 20 iterations. iteration 886: trace = 2.412629978009389 (3.79799e-08% change) linmin: converged after 2 iterations. iteration 887: trace = 2.412629976503111 (6.2433e-08% change) linmin: converged after 6 iterations. iteration 888: trace = 2.412629976306796 (8.13697e-09% change) large trace change predicted (3.06396e-08%) linmin: converged after 4 iterations. iteration 889: trace = 2.412629975567579 (3.06395e-08% change) linmin: converged after 4 iterations. iteration 890: trace = 2.412629974494204 (4.44898e-08% change) linmin: converged after 7 iterations. iteration 891: trace = 2.412629974274471 (9.10762e-09% change) large trace change predicted (7.08135e-08%) linmin: converged after 3 iterations. iteration 892: trace = 2.41262997256604 (7.0812e-08% change) linmin: converged after 13 iterations. iteration 893: trace = 2.412629971667166 (3.7257e-08% change) linmin: converged after 9 iterations. iteration 894: trace = 2.412629970211166 (6.03491e-08% change) linmin: converged after 3 iterations. iteration 895: trace = 2.4126299675696 (1.09489e-07% change) linmin: converged after 4 iterations. iteration 896: trace = 2.412629966679517 (3.68926e-08% change) large trace change predicted (9.2062e-08%) linmin: converged after 16 iterations. iteration 897: trace = 2.412629964458456 (9.20598e-08% change) linmin: converged after 4 iterations. iteration 898: trace = 2.412629960107839 (1.80327e-07% change) linmin: converged after 4 iterations. iteration 899: trace = 2.412629956681058 (1.42035e-07% change) linmin: converged after 17 iterations. iteration 900: trace = 2.412629955568261 (4.61238e-08% change) large trace change predicted (1.24164e-07%) linmin: converged after 3 iterations. iteration 901: trace = 2.412629952572671 (1.24163e-07% change) linmin: converged after 7 iterations. iteration 902: trace = 2.41262995211164 (1.91091e-08% change) linmin: converged after 4 iterations. iteration 903: trace = 2.412629951351644 (3.15007e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.412629949860268 (6.18154e-08% change) linmin: converged after 4 iterations. iteration 905: trace = 2.412629949640863 (9.094e-09% change) large trace change predicted (4.08356e-08%) linmin: converged after 4 iterations. iteration 906: trace = 2.412629948655661 (4.08352e-08% change) linmin: converged after 3 iterations. iteration 907: trace = 2.412629948000308 (2.71634e-08% change) linmin: converged after 3 iterations. iteration 908: trace = 2.412629947791989 (8.63451e-09% change) large trace change predicted (2.62099e-08%) linmin: converged after 3 iterations. iteration 909: trace = 2.412629947159648 (2.62096e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.412629946603579 (2.30482e-08% change) linmin: converged after 18 iterations. iteration 911: trace = 2.412629946430211 (7.18585e-09% change) large trace change predicted (2.97514e-08%) linmin: converged after 4 iterations. iteration 912: trace = 2.412629945712421 (2.97514e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.412629945037566 (2.79718e-08% change) linmin: converged after 4 iterations. iteration 914: trace = 2.412629944635202 (1.66774e-08% change) large trace change predicted (5.89224e-08%) linmin: converged after 29 iterations. iteration 915: trace = 2.412629943213624 (5.89224e-08% change) linmin: converged after 28 iterations. iteration 916: trace = 2.412629942673241 (2.23981e-08% change) linmin: converged after 37 iterations. iteration 917: trace = 2.412629942084224 (2.44139e-08% change) large trace change predicted (1.08341e-07%) linmin: converged after 3 iterations. iteration 918: trace = 2.412629939470376 (1.0834e-07% change) linmin: converged after 12 iterations. iteration 919: trace = 2.412629939024025 (1.85006e-08% change) large trace change predicted (1.45008e-07%) linmin: converged after 36 iterations. iteration 920: trace = 2.412629935525507 (1.45008e-07% change) linmin: converged after 35 iterations. iteration 921: trace = 2.412629933133675 (9.9138e-08% change) linmin: converged after 33 iterations. iteration 922: trace = 2.412629931939856 (4.94821e-08% change) linmin: converged after 6 iterations. iteration 923: trace = 2.412629929684806 (9.34685e-08% change) linmin: converged after 3 iterations. iteration 924: trace = 2.412629927522294 (8.9633e-08% change) linmin: converged after 3 iterations. iteration 925: trace = 2.412629926960233 (2.32966e-08% change) large trace change predicted (6.17147e-08%) linmin: converged after 4 iterations. iteration 926: trace = 2.412629925471272 (6.17153e-08% change) linmin: converged after 3 iterations. iteration 927: trace = 2.412629924752712 (2.97833e-08% change) linmin: converged after 18 iterations. iteration 928: trace = 2.412629924340847 (1.70712e-08% change) linmin: converged after 25 iterations. iteration 929: trace = 2.412629923690569 (2.69531e-08% change) linmin: converged after 3 iterations. iteration 930: trace = 2.412629922606678 (4.49257e-08% change) linmin: converged after 4 iterations. iteration 931: trace = 2.412629922381308 (9.34124e-09% change) large trace change predicted (2.78896e-08%) linmin: converged after 3 iterations. iteration 932: trace = 2.412629921708441 (2.78894e-08% change) linmin: converged after 2 iterations. iteration 933: trace = 2.41262992104805 (2.73722e-08% change) linmin: converged after 3 iterations. iteration 934: trace = 2.412629920845703 (8.38699e-09% change) large trace change predicted (4.79543e-08%) linmin: converged after 4 iterations. iteration 935: trace = 2.412629919688754 (4.79538e-08% change) linmin: converged after 4 iterations. iteration 936: trace = 2.412629919114845 (2.37877e-08% change) linmin: converged after 2 iterations. iteration 937: trace = 2.412629918511692 (2.49998e-08% change) large trace change predicted (5.65366e-08%) linmin: converged after 5 iterations. iteration 938: trace = 2.412629917147718 (5.65348e-08% change) linmin: converged after 2 iterations. iteration 939: trace = 2.412629916739739 (1.69101e-08% change) large trace change predicted (3.49757e-08%) linmin: converged after 6 iterations. iteration 940: trace = 2.412629915895912 (3.49754e-08% change) large trace change predicted (1.03946e-07%) linmin: converged after 25 iterations. iteration 941: trace = 2.412629913388183 (1.03942e-07% change) linmin: converged after 14 iterations. iteration 942: trace = 2.412629911739267 (6.83452e-08% change) large trace change predicted (1.3842e-07%) linmin: converged after 14 iterations. iteration 943: trace = 2.412629908400014 (1.38407e-07% change) linmin: converged after 4 iterations. iteration 944: trace = 2.412629905801034 (1.07724e-07% change) linmin: converged after 3 iterations. iteration 945: trace = 2.412629904539625 (5.22836e-08% change) linmin: converged after 6 iterations. iteration 946: trace = 2.412629902658073 (7.79876e-08% change) linmin: converged after 5 iterations. iteration 947: trace = 2.412629900580813 (8.60994e-08% change) linmin: converged after 4 iterations. iteration 948: trace = 2.412629899923036 (2.72639e-08% change) linmin: converged after 17 iterations. iteration 949: trace = 2.412629898704476 (5.05076e-08% change) linmin: converged after 3 iterations. iteration 950: trace = 2.412629897638364 (4.41888e-08% change) linmin: converged after 10 iterations. iteration 951: trace = 2.412629897314533 (1.34223e-08% change) linmin: converged after 3 iterations. iteration 952: trace = 2.412629896768283 (2.26413e-08% change) linmin: converged after 3 iterations. iteration 953: trace = 2.412629895711747 (4.37919e-08% change) linmin: converged after 6 iterations. iteration 954: trace = 2.412629895548865 (6.75123e-09% change) large trace change predicted (4.65758e-08%) linmin: converged after 9 iterations. iteration 955: trace = 2.412629894425191 (4.65747e-08% change) linmin: converged after 3 iterations. iteration 956: trace = 2.412629893390733 (4.28768e-08% change) linmin: converged after 24 iterations. iteration 957: trace = 2.412629893120608 (1.11963e-08% change) linmin: converged after 3 iterations. iteration 958: trace = 2.41262989263121 (2.02848e-08% change) large trace change predicted (4.44366e-08%) linmin: converged after 27 iterations. iteration 959: trace = 2.412629891559116 (4.44368e-08% change) linmin: converged after 4 iterations. iteration 960: trace = 2.412629891263049 (1.22716e-08% change) large trace change predicted (4.97846e-08%) linmin: converged after 4 iterations. iteration 961: trace = 2.41262989006193 (4.97846e-08% change) linmin: converged after 28 iterations. iteration 962: trace = 2.412629888406727 (6.86058e-08% change) linmin: converged after 3 iterations. iteration 963: trace = 2.412629887741038 (2.75918e-08% change) large trace change predicted (9.7619e-08%) linmin: converged after 6 iterations. iteration 964: trace = 2.412629885385868 (9.76184e-08% change) linmin: converged after 9 iterations. iteration 965: trace = 2.412629883467717 (7.95046e-08% change) linmin: converged after 16 iterations. iteration 966: trace = 2.412629881976846 (6.17944e-08% change) large trace change predicted (2.09176e-07%) linmin: converged after 23 iterations. iteration 967: trace = 2.412629876930009 (2.09184e-07% change) linmin: converged after 5 iterations. iteration 968: trace = 2.412629875543301 (5.7477e-08% change) linmin: converged after 23 iterations. iteration 969: trace = 2.412629873599101 (8.05842e-08% change) linmin: converged after 2 iterations. iteration 970: trace = 2.412629872166236 (5.93902e-08% change) linmin: converged after 6 iterations. iteration 971: trace = 2.412629871567043 (2.48357e-08% change) linmin: converged after 3 iterations. iteration 972: trace = 2.412629870410906 (4.79202e-08% change) linmin: converged after 3 iterations. iteration 973: trace = 2.412629869348892 (4.40189e-08% change) linmin: converged after 4 iterations. iteration 974: trace = 2.412629869132651 (8.96287e-09% change) large trace change predicted (3.83009e-08%) linmin: converged after 3 iterations. iteration 975: trace = 2.412629868208587 (3.83011e-08% change) linmin: converged after 17 iterations. iteration 976: trace = 2.412629867508941 (2.89993e-08% change) linmin: converged after 4 iterations. iteration 977: trace = 2.41262986714653 (1.50214e-08% change) large trace change predicted (3.0632e-08%) linmin: converged after 3 iterations. iteration 978: trace = 2.412629866407475 (3.06327e-08% change) large trace change predicted (1.408e-07%) linmin: converged after 7 iterations. iteration 979: trace = 2.412629863010455 (1.40802e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.412629860052295 (1.22611e-07% change) linmin: converged after 3 iterations. iteration 981: trace = 2.412629859344464 (2.93386e-08% change) linmin: converged after 2 iterations. iteration 982: trace = 2.412629858880917 (1.92134e-08% change) linmin: converged after 2 iterations. iteration 983: trace = 2.412629858276113 (2.50682e-08% change) linmin: converged after 4 iterations. iteration 984: trace = 2.412629857509056 (3.17934e-08% change) linmin: converged after 4 iterations. iteration 985: trace = 2.412629857240155 (1.11455e-08% change) linmin: converged after 3 iterations. iteration 986: trace = 2.41262985674862 (2.03734e-08% change) linmin: converged after 3 iterations. iteration 987: trace = 2.412629855932325 (3.38342e-08% change) linmin: converged after 4 iterations. iteration 988: trace = 2.412629855594522 (1.40014e-08% change) large trace change predicted (5.93685e-08%) linmin: converged after 35 iterations. iteration 989: trace = 2.412629854162197 (5.93678e-08% change) linmin: converged after 20 iterations. iteration 990: trace = 2.41262985235914 (7.47341e-08% change) linmin: converged after 16 iterations. iteration 991: trace = 2.412629851534124 (3.41957e-08% change) large trace change predicted (1.23989e-07%) linmin: converged after 5 iterations. iteration 992: trace = 2.412629848542833 (1.23985e-07% change) linmin: converged after 13 iterations. iteration 993: trace = 2.412629847636045 (3.7585e-08% change) linmin: converged after 16 iterations. iteration 994: trace = 2.412629846375563 (5.22451e-08% change) linmin: converged after 4 iterations. iteration 995: trace = 2.412629843948068 (1.00616e-07% change) linmin: converged after 4 iterations. iteration 996: trace = 2.412629843607194 (1.41287e-08% change) large trace change predicted (6.7988e-08%) linmin: converged after 4 iterations. iteration 997: trace = 2.412629841966889 (6.79883e-08% change) linmin: converged after 6 iterations. iteration 998: trace = 2.412629841440538 (2.18165e-08% change) linmin: converged after 4 iterations. iteration 999: trace = 2.412629841193702 (1.0231e-08% change) large trace change predicted (3.12016e-08%) linmin: converged after 6 iterations. iteration 1000: trace = 2.412629840440918 (3.12018e-08% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.412629839886335 (2.29866e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.412629839727234 (6.59449e-09% change) large trace change predicted (3.22075e-08%) linmin: converged after 4 iterations. iteration 1003: trace = 2.412629838950178 (3.22079e-08% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.412629838660329 (1.20138e-08% change) linmin: converged after 14 iterations. iteration 1005: trace = 2.412629838191677 (1.94249e-08% change) linmin: converged after 16 iterations. iteration 1006: trace = 2.412629838007164 (7.64779e-09% change) large trace change predicted (3.11401e-08%) linmin: converged after 3 iterations. iteration 1007: trace = 2.412629837255847 (3.1141e-08% change) linmin: converged after 5 iterations. iteration 1008: trace = 2.412629837124343 (5.45064e-09% change) large trace change predicted (1.66649e-08%) linmin: converged after 3 iterations. iteration 1009: trace = 2.41262983672228 (1.66649e-08% change) linmin: converged after 13 iterations. iteration 1010: trace = 2.412629836093977 (2.60422e-08% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.412629835782059 (1.29286e-08% change) large trace change predicted (3.07177e-08%) linmin: converged after 19 iterations. iteration 1012: trace = 2.412629835040941 (3.07182e-08% change) linmin: converged after 5 iterations. iteration 1013: trace = 2.412629833664326 (5.70587e-08% change) linmin: converged after 31 iterations. iteration 1014: trace = 2.412629833299759 (1.51108e-08% change) large trace change predicted (8.95773e-08%) linmin: converged after 4 iterations. iteration 1015: trace = 2.412629831138368 (8.95865e-08% change) linmin: converged after 8 iterations. iteration 1016: trace = 2.412629830159918 (4.05553e-08% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.412629829514783 (2.67399e-08% change) large trace change predicted (6.01776e-08%) linmin: converged after 5 iterations. iteration 1018: trace = 2.412629828062851 (6.01804e-08% change) linmin: converged after 24 iterations. iteration 1019: trace = 2.412629826752136 (5.43272e-08% change) linmin: converged after 19 iterations. iteration 1020: trace = 2.412629826615537 (5.66184e-09% change) large trace change predicted (2.52403e-08%) linmin: converged after 8 iterations. iteration 1021: trace = 2.41262982600657 (2.52408e-08% change) linmin: converged after 10 iterations. iteration 1022: trace = 2.412629825573912 (1.79331e-08% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.41262982544609 (5.29803e-09% change) large trace change predicted (1.68311e-08%) linmin: converged after 4 iterations. iteration 1024: trace = 2.412629825040014 (1.68313e-08% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.412629824620993 (1.73678e-08% change) linmin: converged after 6 iterations. iteration 1026: trace = 2.412629824476852 (5.97444e-09% change) large trace change predicted (2.18839e-08%) linmin: converged after 3 iterations. iteration 1027: trace = 2.412629823948873 (2.18839e-08% change) linmin: converged after 22 iterations. iteration 1028: trace = 2.412629823857702 (3.77891e-09% change) linmin: converged after 4 iterations. iteration 1029: trace = 2.412629823697462 (6.64174e-09% change) large trace change predicted (1.82985e-08%) linmin: converged after 3 iterations. iteration 1030: trace = 2.41262982325599 (1.82984e-08% change) linmin: converged after 36 iterations. iteration 1031: trace = 2.412629823126512 (5.36668e-09% change) large trace change predicted (2.03961e-08%) linmin: converged after 3 iterations. iteration 1032: trace = 2.412629822634432 (2.0396e-08% change) linmin: converged after 21 iterations. iteration 1033: trace = 2.412629822112127 (2.16488e-08% change) linmin: converged after 3 iterations. iteration 1034: trace = 2.412629821927908 (7.6356e-09% change) large trace change predicted (3.34563e-08%) linmin: converged after 8 iterations. iteration 1035: trace = 2.412629821120743 (3.34558e-08% change) linmin: converged after 3 iterations. iteration 1036: trace = 2.412629820436516 (2.83602e-08% change) linmin: converged after 31 iterations. iteration 1037: trace = 2.412629820024577 (1.70743e-08% change) large trace change predicted (5.44343e-08%) linmin: converged after 5 iterations. iteration 1038: trace = 2.412629818711304 (5.44333e-08% change) linmin: converged after 6 iterations. iteration 1039: trace = 2.412629817677978 (4.28299e-08% change) linmin: converged after 7 iterations. iteration 1040: trace = 2.412629817059748 (2.56247e-08% change) linmin: converged after 5 iterations. iteration 1041: trace = 2.41262981609746 (3.98855e-08% change) linmin: converged after 9 iterations. iteration 1042: trace = 2.41262981570948 (1.60812e-08% change) linmin: converged after 16 iterations. iteration 1043: trace = 2.41262981556652 (5.92548e-09% change) large trace change predicted (2.34513e-08%) linmin: converged after 4 iterations. iteration 1044: trace = 2.412629815000735 (2.3451e-08% change) linmin: converged after 2 iterations. iteration 1045: trace = 2.412629814832913 (6.95597e-09% change) linmin: converged after 5 iterations. iteration 1046: trace = 2.412629814571759 (1.08245e-08% change) linmin: converged after 35 iterations. iteration 1047: trace = 2.412629814351824 (9.11599e-09% change) linmin: converged after 23 iterations. iteration 1048: trace = 2.412629814280324 (2.96358e-09% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.412629814141311 (5.76188e-09% change) resetting CG direction... linmin: converged after 12 iterations. iteration 1050: trace = 2.412629814011531 (5.37916e-09% change) linmin: converged after 25 iterations. iteration 1051: trace = 2.41262981394684 (2.68138e-09% change) large trace change predicted (9.09106e-09%) linmin: converged after 3 iterations. iteration 1052: trace = 2.412629813727504 (9.09116e-09% change) linmin: converged after 11 iterations. iteration 1053: trace = 2.412629813474037 (1.05058e-08% change) linmin: converged after 12 iterations. iteration 1054: trace = 2.412629813323608 (6.23508e-09% change) large trace change predicted (2.13059e-08%) linmin: converged after 29 iterations. iteration 1055: trace = 2.412629812809573 (2.1306e-08% change) linmin: converged after 4 iterations. iteration 1056: trace = 2.412629812661426 (6.14049e-09% change) large trace change predicted (1.23601e-08%) linmin: converged after 4 iterations. iteration 1057: trace = 2.412629812363224 (1.236e-08% change) large trace change predicted (3.90357e-08%) linmin: converged after 3 iterations. iteration 1058: trace = 2.41262981142143 (3.9036e-08% change) linmin: converged after 25 iterations. iteration 1059: trace = 2.412629810946882 (1.96693e-08% change) linmin: converged after 19 iterations. iteration 1060: trace = 2.412629810006206 (3.89896e-08% change) linmin: converged after 4 iterations. iteration 1061: trace = 2.412629809000206 (4.16972e-08% change) linmin: converged after 4 iterations. iteration 1062: trace = 2.412629808616698 (1.58959e-08% change) linmin: converged after 26 iterations. iteration 1063: trace = 2.4126298080259 (2.44877e-08% change) linmin: converged after 2 iterations. iteration 1064: trace = 2.412629807396376 (2.60929e-08% change) linmin: converged after 3 iterations. iteration 1065: trace = 2.41262980725605 (5.81631e-09% change) large trace change predicted (1.77826e-08%) linmin: converged after 4 iterations. iteration 1066: trace = 2.412629806827022 (1.77826e-08% change) linmin: converged after 23 iterations. iteration 1067: trace = 2.41262980650895 (1.31836e-08% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.41262980638918 (4.96427e-09% change) linmin: converged after 26 iterations. iteration 1069: trace = 2.412629806245564 (5.95267e-09% change) linmin: converged after 3 iterations. iteration 1070: trace = 2.412629806021013 (9.30735e-09% change) linmin: converged after 3 iterations. iteration 1071: trace = 2.412629805876823 (5.97643e-09% change) large trace change predicted (1.46939e-08%) linmin: converged after 27 iterations. iteration 1072: trace = 2.412629805522315 (1.46939e-08% change) linmin: converged after 4 iterations. iteration 1073: trace = 2.412629805419518 (4.26078e-09% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.412629805217475 (8.3744e-09% change) linmin: converged after 23 iterations. iteration 1075: trace = 2.412629804859759 (1.48268e-08% change) linmin: converged after 23 iterations. iteration 1076: trace = 2.41262980478039 (3.28971e-09% change) large trace change predicted (1.52698e-08%) linmin: converged after 4 iterations. iteration 1077: trace = 2.412629804411993 (1.52695e-08% change) linmin: converged after 4 iterations. iteration 1078: trace = 2.412629803835411 (2.38985e-08% change) linmin: converged after 6 iterations. iteration 1079: trace = 2.412629803550236 (1.18201e-08% change) large trace change predicted (2.64073e-08%) linmin: converged after 8 iterations. iteration 1080: trace = 2.412629802913144 (2.64065e-08% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.412629802405484 (2.10418e-08% change) linmin: converged after 20 iterations. iteration 1082: trace = 2.412629802054365 (1.45534e-08% change) large trace change predicted (4.85807e-08%) linmin: converged after 23 iterations. iteration 1083: trace = 2.412629800882364 (4.85777e-08% change) linmin: converged after 5 iterations. iteration 1084: trace = 2.412629799571856 (5.43187e-08% change) linmin: converged after 3 iterations. iteration 1085: trace = 2.412629799288416 (1.17482e-08% change) large trace change predicted (2.53772e-08%) linmin: converged after 4 iterations. iteration 1086: trace = 2.41262979867617 (2.53767e-08% change) linmin: converged after 6 iterations. iteration 1087: trace = 2.412629798155509 (2.15807e-08% change) linmin: converged after 3 iterations. iteration 1088: trace = 2.412629797977812 (7.36526e-09% change) large trace change predicted (1.71152e-08%) linmin: converged after 3 iterations. iteration 1089: trace = 2.412629797564891 (1.7115e-08% change) linmin: converged after 3 iterations. iteration 1090: trace = 2.412629797236036 (1.36306e-08% change) linmin: converged after 5 iterations. iteration 1091: trace = 2.412629797146127 (3.72658e-09% change) large trace change predicted (1.66429e-08%) linmin: converged after 8 iterations. iteration 1092: trace = 2.412629796744604 (1.66426e-08% change) linmin: converged after 16 iterations. iteration 1093: trace = 2.412629796597781 (6.08562e-09% change) linmin: converged after 9 iterations. iteration 1094: trace = 2.412629796528624 (2.86644e-09% change) large trace change predicted (1.32146e-08%) linmin: converged after 4 iterations. iteration 1095: trace = 2.412629796209809 (1.32144e-08% change) linmin: converged after 13 iterations. iteration 1096: trace = 2.412629796050501 (6.60307e-09% change) large trace change predicted (1.37413e-08%) linmin: converged after 3 iterations. iteration 1097: trace = 2.412629795718977 (1.37412e-08% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.412629795455784 (1.0909e-08% change) linmin: converged after 5 iterations. iteration 1099: trace = 2.412629795325347 (5.40642e-09% change) large trace change predicted (1.40822e-08%) linmin: converged after 3 iterations. iteration 1100: trace = 2.412629794985595 (1.40822e-08% change) linmin: converged after 4 iterations. iteration 1101: trace = 2.412629794618395 (1.52199e-08% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.412629794427571 (7.90941e-09% change) large trace change predicted (3.37841e-08%) linmin: converged after 3 iterations. iteration 1103: trace = 2.412629793612483 (3.37842e-08% change) linmin: converged after 8 iterations. iteration 1104: trace = 2.412629792683634 (3.84995e-08% change) linmin: converged after 4 iterations. iteration 1105: trace = 2.412629792271863 (1.70673e-08% change) linmin: converged after 4 iterations. iteration 1106: trace = 2.412629791561477 (2.94445e-08% change) linmin: converged after 16 iterations. iteration 1107: trace = 2.412629790214044 (5.58491e-08% change) linmin: converged after 7 iterations. iteration 1108: trace = 2.412629789960863 (1.0494e-08% change) large trace change predicted (3.90288e-08%) linmin: converged after 16 iterations. iteration 1109: trace = 2.412629789019225 (3.90295e-08% change) linmin: converged after 4 iterations. iteration 1110: trace = 2.412629788842335 (7.33182e-09% change) large trace change predicted (2.1421e-08%) linmin: converged after 9 iterations. iteration 1111: trace = 2.412629788325511 (2.14216e-08% change) linmin: converged after 3 iterations. iteration 1112: trace = 2.412629788037764 (1.19267e-08% change) linmin: converged after 3 iterations. iteration 1113: trace = 2.412629787803015 (9.73003e-09% change) linmin: converged after 23 iterations. iteration 1114: trace = 2.412629787699538 (4.28898e-09% change) large trace change predicted (1.3443e-08%) linmin: converged after 3 iterations. iteration 1115: trace = 2.412629787375206 (1.34431e-08% change) linmin: converged after 21 iterations. iteration 1116: trace = 2.412629787276294 (4.09974e-09% change) large trace change predicted (1.2001e-08%) linmin: converged after 24 iterations. iteration 1117: trace = 2.412629786986755 (1.2001e-08% change) linmin: converged after 4 iterations. iteration 1118: trace = 2.412629786748777 (9.86386e-09% change) linmin: converged after 3 iterations. iteration 1119: trace = 2.412629786292433 (1.89148e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1120: trace = 2.412629785848988 (1.83802e-08% change) linmin: converged after 3 iterations. iteration 1121: trace = 2.412629785623657 (9.33966e-09% change) linmin: converged after 10 iterations. iteration 1122: trace = 2.412629785396949 (9.39672e-09% change) linmin: converged after 3 iterations. iteration 1123: trace = 2.412629785252847 (5.9728e-09% change) linmin: converged after 3 iterations. iteration 1124: trace = 2.412629784965543 (1.19083e-08% change) linmin: converged after 6 iterations. iteration 1125: trace = 2.412629784894571 (2.94171e-09% change) large trace change predicted (8.94799e-09%) linmin: converged after 3 iterations. iteration 1126: trace = 2.412629784678686 (8.9481e-09% change) linmin: converged after 3 iterations. iteration 1127: trace = 2.412629784418998 (1.07637e-08% change) linmin: converged after 41 iterations. iteration 1128: trace = 2.412629784294783 (5.14854e-09% change) large trace change predicted (2.05222e-08%) linmin: converged after 7 iterations. iteration 1129: trace = 2.412629783799666 (2.05219e-08% change) linmin: converged after 4 iterations. iteration 1130: trace = 2.412629783217858 (2.41151e-08% change) linmin: converged after 5 iterations. iteration 1131: trace = 2.412629782905474 (1.29479e-08% change) large trace change predicted (3.93323e-08%) linmin: converged after 15 iterations. iteration 1132: trace = 2.412629781956552 (3.93314e-08% change) linmin: converged after 10 iterations. iteration 1133: trace = 2.4126297814223 (2.2144e-08% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.412629781139761 (1.17108e-08% change) large trace change predicted (3.70881e-08%) linmin: converged after 34 iterations. iteration 1135: trace = 2.412629780244971 (3.70877e-08% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.412629779825604 (1.73822e-08% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.412629779584773 (9.98207e-09% change) linmin: converged after 2 iterations. iteration 1138: trace = 2.412629779380671 (8.45973e-09% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.412629779150927 (9.52255e-09% change) linmin: converged after 4 iterations. iteration 1140: trace = 2.412629779034004 (4.8463e-09% change) linmin: converged after 13 iterations. iteration 1141: trace = 2.412629778809317 (9.31293e-09% change) linmin: converged after 3 iterations. iteration 1142: trace = 2.412629778738212 (2.94723e-09% change) large trace change predicted (9.6957e-09%) linmin: converged after 3 iterations. iteration 1143: trace = 2.41262977850429 (9.69572e-09% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.412629778404162 (4.15014e-09% change) linmin: converged after 3 iterations. iteration 1145: trace = 2.412629778242337 (6.70742e-09% change) linmin: converged after 14 iterations. iteration 1146: trace = 2.412629778178061 (2.66417e-09% change) large trace change predicted (1.13094e-08%) linmin: converged after 25 iterations. iteration 1147: trace = 2.4126297779052 (1.13097e-08% change) linmin: converged after 3 iterations. iteration 1148: trace = 2.412629777850719 (2.25815e-09% change) large trace change predicted (5.19724e-09%) linmin: converged after 4 iterations. iteration 1149: trace = 2.412629777725329 (5.19723e-09% change) linmin: converged after 15 iterations. iteration 1150: trace = 2.412629777488554 (9.81398e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.412629777262293 (9.37822e-09% change) linmin: converged after 13 iterations. iteration 1152: trace = 2.412629777117201 (6.01385e-09% change) large trace change predicted (1.93871e-08%) linmin: converged after 6 iterations. iteration 1153: trace = 2.412629776649447 (1.93877e-08% change) linmin: converged after 28 iterations. iteration 1154: trace = 2.412629776527586 (5.05097e-09% change) large trace change predicted (3.11949e-08%) linmin: converged after 25 iterations. iteration 1155: trace = 2.412629775774925 (3.11967e-08% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.412629775365852 (1.69555e-08% change) linmin: converged after 4 iterations. iteration 1157: trace = 2.412629774918892 (1.85259e-08% change) linmin: converged after 4 iterations. iteration 1158: trace = 2.412629774657288 (1.08431e-08% change) linmin: converged after 3 iterations. iteration 1159: trace = 2.412629774194538 (1.91803e-08% change) linmin: converged after 23 iterations. iteration 1160: trace = 2.412629774146317 (1.99871e-09% change) large trace change predicted (8.86743e-09%) linmin: converged after 12 iterations. iteration 1161: trace = 2.412629773932376 (8.86752e-09% change) linmin: converged after 33 iterations. iteration 1162: trace = 2.412629773774357 (6.54969e-09% change) linmin: converged after 3 iterations. iteration 1163: trace = 2.412629773728515 (1.90007e-09% change) large trace change predicted (5.67544e-09%) linmin: converged after 4 iterations. iteration 1164: trace = 2.41262977359159 (5.67535e-09% change) linmin: converged after 5 iterations. iteration 1165: trace = 2.412629773436491 (6.42861e-09% change) linmin: converged after 7 iterations. iteration 1166: trace = 2.412629773390932 (1.88836e-09% change) large trace change predicted (7.66799e-09%) linmin: converged after 3 iterations. iteration 1167: trace = 2.412629773205932 (7.668e-09% change) linmin: converged after 19 iterations. iteration 1168: trace = 2.412629773149117 (2.3549e-09% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.412629773119786 (1.2157e-09% change) large trace change predicted (6.37928e-09%) linmin: converged after 4 iterations. iteration 1170: trace = 2.412629772965878 (6.37926e-09% change) linmin: converged after 26 iterations. iteration 1171: trace = 2.412629772928143 (1.56407e-09% change) large trace change predicted (7.14913e-09%) linmin: converged after 19 iterations. iteration 1172: trace = 2.412629772755665 (7.14898e-09% change) linmin: converged after 5 iterations. iteration 1173: trace = 2.412629772634329 (5.02918e-09% change) linmin: converged after 5 iterations. iteration 1174: trace = 2.412629772553549 (3.34822e-09% change) large trace change predicted (8.31988e-09%) linmin: converged after 6 iterations. iteration 1175: trace = 2.412629772352822 (8.31984e-09% change) linmin: converged after 4 iterations. iteration 1176: trace = 2.412629772014664 (1.40162e-08% change) linmin: converged after 26 iterations. iteration 1177: trace = 2.412629771917082 (4.04465e-09% change) large trace change predicted (2.20423e-08%) linmin: converged after 4 iterations. iteration 1178: trace = 2.412629771385287 (2.20421e-08% change) linmin: converged after 26 iterations. iteration 1179: trace = 2.412629771082309 (1.2558e-08% change) linmin: converged after 2 iterations. iteration 1180: trace = 2.412629770824299 (1.06941e-08% change) linmin: converged after 3 iterations. iteration 1181: trace = 2.412629770583826 (9.96722e-09% change) linmin: converged after 2 iterations. iteration 1182: trace = 2.412629770466926 (4.84536e-09% change) linmin: converged after 7 iterations. iteration 1183: trace = 2.412629770326081 (5.83781e-09% change) linmin: converged after 18 iterations. iteration 1184: trace = 2.412629770093298 (9.64852e-09% change) linmin: converged after 4 iterations. iteration 1185: trace = 2.412629770026122 (2.78435e-09% change) linmin: converged after 3 iterations. iteration 1186: trace = 2.412629769941639 (3.50168e-09% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.412629769861093 (3.33854e-09% change) linmin: converged after 3 iterations. iteration 1188: trace = 2.412629769830064 (1.28607e-09% change) linmin: converged after 2 iterations. iteration 1189: trace = 2.412629769788242 (1.73347e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.412629769748404 (1.65126e-09% change) linmin: converged after 3 iterations. iteration 1191: trace = 2.412629769719834 (1.18415e-09% change) large trace change predicted (3.31441e-09%) linmin: converged after 19 iterations. iteration 1192: trace = 2.41262976963987 (3.31439e-09% change) linmin: converged after 2 iterations. iteration 1193: trace = 2.412629769587001 (2.19137e-09% change) linmin: converged after 20 iterations. iteration 1194: trace = 2.412629769497466 (3.71108e-09% change) linmin: converged after 5 iterations. iteration 1195: trace = 2.412629769344929 (6.32244e-09% change) linmin: converged after 19 iterations. iteration 1196: trace = 2.412629769274844 (2.90493e-09% change) linmin: converged after 4 iterations. iteration 1197: trace = 2.412629769167316 (4.45685e-09% change) large trace change predicted (1.20284e-08%) linmin: converged after 4 iterations. iteration 1198: trace = 2.412629768877114 (1.20285e-08% change) linmin: converged after 6 iterations. iteration 1199: trace = 2.412629768796037 (3.36054e-09% change) large trace change predicted (1.92599e-08%) linmin: converged after 13 iterations. iteration 1200: trace = 2.412629768331363 (1.926e-08% change) linmin: converged after 25 iterations. iteration 1201: trace = 2.41262976801378 (1.31634e-08% change) linmin: converged after 18 iterations. iteration 1202: trace = 2.41262976784906 (6.8274e-09% change) linmin: converged after 3 iterations. iteration 1203: trace = 2.412629767635065 (8.86977e-09% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.412629767491865 (5.93546e-09% change) linmin: converged after 3 iterations. iteration 1205: trace = 2.412629767384182 (4.46328e-09% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.412629767223459 (6.66173e-09% change) linmin: converged after 3 iterations. iteration 1207: trace = 2.412629767172048 (2.13094e-09% change) large trace change predicted (4.28805e-09%) linmin: converged after 25 iterations. iteration 1208: trace = 2.412629767068592 (4.2881e-09% change) linmin: converged after 6 iterations. iteration 1209: trace = 2.412629767018007 (2.09665e-09% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.412629766926253 (3.80308e-09% change) linmin: converged after 15 iterations. iteration 1211: trace = 2.412629766896727 (1.2238e-09% change) large trace change predicted (5.36684e-09%) linmin: converged after 24 iterations. iteration 1212: trace = 2.412629766767248 (5.36674e-09% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.412629766734905 (1.34057e-09% change) large trace change predicted (2.70327e-09%) linmin: converged after 4 iterations. iteration 1214: trace = 2.412629766669687 (2.70319e-09% change) large trace change predicted (5.64749e-09%) linmin: converged after 9 iterations. iteration 1215: trace = 2.412629766533433 (5.64754e-09% change) linmin: converged after 2 iterations. iteration 1216: trace = 2.412629766508651 (1.02718e-09% change) large trace change predicted (5.54056e-09%) linmin: converged after 4 iterations. iteration 1217: trace = 2.412629766374981 (5.54043e-09% change) linmin: converged after 4 iterations. iteration 1218: trace = 2.412629766231579 (5.94381e-09% change) linmin: converged after 24 iterations. iteration 1219: trace = 2.412629766176944 (2.26454e-09% change) large trace change predicted (5.33296e-09%) linmin: converged after 3 iterations. iteration 1220: trace = 2.412629766048279 (5.33294e-09% change) large trace change predicted (1.31523e-08%) linmin: converged after 3 iterations. iteration 1221: trace = 2.412629765730969 (1.3152e-08% change) linmin: converged after 4 iterations. iteration 1222: trace = 2.412629765492582 (9.8808e-09% change) linmin: converged after 38 iterations. iteration 1223: trace = 2.412629765145416 (1.43895e-08% change) linmin: converged after 4 iterations. iteration 1224: trace = 2.412629764765214 (1.57588e-08% change) linmin: converged after 14 iterations. iteration 1225: trace = 2.412629764609337 (6.4609e-09% change) linmin: converged after 3 iterations. iteration 1226: trace = 2.412629764394798 (8.89231e-09% change) linmin: converged after 9 iterations. iteration 1227: trace = 2.412629764162322 (9.63578e-09% change) linmin: converged after 4 iterations. iteration 1228: trace = 2.412629764020966 (5.85899e-09% change) linmin: converged after 5 iterations. iteration 1229: trace = 2.412629763948705 (2.99514e-09% change) linmin: converged after 19 iterations. iteration 1230: trace = 2.412629763820925 (5.2963e-09% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.412629763746147 (3.09942e-09% change) linmin: converged after 13 iterations. iteration 1232: trace = 2.412629763688642 (2.3835e-09% change) linmin: converged after 6 iterations. iteration 1233: trace = 2.412629763615511 (3.03117e-09% change) linmin: converged after 6 iterations. iteration 1234: trace = 2.412629763533967 (3.3799e-09% change) linmin: converged after 4 iterations. iteration 1235: trace = 2.412629763483325 (2.09901e-09% change) large trace change predicted (6.53479e-09%) linmin: converged after 3 iterations. iteration 1236: trace = 2.412629763325664 (6.53484e-09% change) linmin: converged after 33 iterations. iteration 1237: trace = 2.412629763303096 (9.35399e-10% change) large trace change predicted (4.50275e-09%) linmin: converged after 22 iterations. iteration 1238: trace = 2.412629763194457 (4.50292e-09% change) linmin: converged after 7 iterations. iteration 1239: trace = 2.412629763082278 (4.64968e-09% change) linmin: converged after 26 iterations. iteration 1240: trace = 2.412629763036044 (1.9163e-09% change) large trace change predicted (4.92078e-09%) linmin: converged after 18 iterations. iteration 1241: trace = 2.412629762917325 (4.92076e-09% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.412629762682696 (9.725e-09% change) linmin: converged after 10 iterations. iteration 1243: trace = 2.412629762592304 (3.74664e-09% change) large trace change predicted (1.75923e-08%) linmin: converged after 8 iterations. iteration 1244: trace = 2.412629762167861 (1.75925e-08% change) linmin: converged after 3 iterations. iteration 1245: trace = 2.4126297620757 (3.81996e-09% change) large trace change predicted (9.87021e-09%) linmin: converged after 4 iterations. iteration 1246: trace = 2.412629761837568 (9.87023e-09% change) large trace change predicted (2.09998e-08%) linmin: converged after 31 iterations. iteration 1247: trace = 2.412629761330913 (2.10001e-08% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.412629761106383 (9.30643e-09% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.412629760964092 (5.89778e-09% change) linmin: converged after 26 iterations. iteration 1250: trace = 2.412629760743328 (9.15032e-09% change) linmin: converged after 16 iterations. iteration 1251: trace = 2.412629760697433 (1.90227e-09% change) linmin: converged after 32 iterations. iteration 1252: trace = 2.412629760613019 (3.49887e-09% change) linmin: converged after 7 iterations. iteration 1253: trace = 2.41262976052164 (3.78752e-09% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.412629760448013 (3.05171e-09% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.412629760396692 (2.12719e-09% change) large trace change predicted (5.52559e-09%) linmin: converged after 20 iterations. iteration 1256: trace = 2.412629760263379 (5.52565e-09% change) linmin: converged after 3 iterations. iteration 1257: trace = 2.412629760231685 (1.31368e-09% change) large trace change predicted (7.23674e-09%) linmin: converged after 20 iterations. iteration 1258: trace = 2.412629760057085 (7.23691e-09% change) large trace change predicted (1.10329e-07%) linmin: converged after 4 iterations. iteration 1259: trace = 2.412629757394972 (1.10341e-07% change) resetting CG direction... linmin: converged after 31 iterations. iteration 1260: trace = 2.412629756145485 (5.17894e-08% change) linmin: converged after 3 iterations. iteration 1261: trace = 2.412629755522189 (2.58347e-08% change) linmin: converged after 4 iterations. iteration 1262: trace = 2.412629755420031 (4.23429e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.412629755311408 (4.50228e-09% change) linmin: converged after 31 iterations. iteration 1264: trace = 2.412629755139941 (7.10707e-09% change) linmin: converged after 2 iterations. iteration 1265: trace = 2.412629755127741 (5.05673e-10% change) large trace change predicted (4.14563e-09%) linmin: converged after 2 iterations. iteration 1266: trace = 2.412629755027722 (4.14565e-09% change) linmin: converged after 28 iterations. iteration 1267: trace = 2.412629754993594 (1.41453e-09% change) linmin: converged after 7 iterations. iteration 1268: trace = 2.412629754977538 (6.655e-10% change) large trace change predicted (3.01768e-09%) linmin: converged after 3 iterations. iteration 1269: trace = 2.412629754904733 (3.01767e-09% change) linmin: converged after 26 iterations. iteration 1270: trace = 2.412629754855381 (2.04555e-09% change) linmin: converged after 8 iterations. iteration 1271: trace = 2.412629754793346 (2.57125e-09% change) large trace change predicted (6.44622e-09%) linmin: converged after 6 iterations. iteration 1272: trace = 2.412629754637826 (6.4461e-09% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.412629754580816 (2.36298e-09% change) linmin: converged after 4 iterations. iteration 1274: trace = 2.412629754519073 (2.55914e-09% change) large trace change predicted (6.61425e-09%) linmin: converged after 18 iterations. iteration 1275: trace = 2.412629754359497 (6.61423e-09% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.412629754255988 (4.29027e-09% change) linmin: converged after 3 iterations. iteration 1277: trace = 2.412629754117463 (5.74165e-09% change) linmin: converged after 3 iterations. iteration 1278: trace = 2.412629753994368 (5.10212e-09% change) linmin: converged after 6 iterations. iteration 1279: trace = 2.412629753928176 (2.74358e-09% change) linmin: converged after 3 iterations. iteration 1280: trace = 2.41262975382433 (4.30426e-09% change) linmin: converged after 2 iterations. iteration 1281: trace = 2.412629753688581 (5.62661e-09% change) linmin: converged after 16 iterations. iteration 1282: trace = 2.412629753664304 (1.00625e-09% change) large trace change predicted (3.85085e-09%) linmin: converged after 15 iterations. iteration 1283: trace = 2.412629753571395 (3.85093e-09% change) linmin: converged after 4 iterations. iteration 1284: trace = 2.41262975351645 (2.27739e-09% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.412629753499298 (7.10909e-10% change) linmin: converged after 15 iterations. iteration 1286: trace = 2.41262975346662 (1.35449e-09% change) linmin: converged after 3 iterations. iteration 1287: trace = 2.412629753416082 (2.0947e-09% change) linmin: converged after 4 iterations. iteration 1288: trace = 2.412629753405603 (4.34347e-10% change) large trace change predicted (1.54026e-09%) linmin: converged after 18 iterations. iteration 1289: trace = 2.412629753368441 (1.54032e-09% change) linmin: converged after 3 iterations. iteration 1290: trace = 2.412629753361718 (2.78661e-10% change) large trace change predicted (9.30624e-10%) linmin: converged after 13 iterations. iteration 1291: trace = 2.412629753339264 (9.30687e-10% change) large trace change predicted (2.39756e-09%) linmin: converged after 5 iterations. iteration 1292: trace = 2.412629753281419 (2.39758e-09% change) linmin: converged after 13 iterations. iteration 1293: trace = 2.412629753266869 (6.03064e-10% change) large trace change predicted (4.52078e-09%) linmin: converged after 4 iterations. iteration 1294: trace = 2.4126297531578 (4.52076e-09% change) linmin: converged after 6 iterations. iteration 1295: trace = 2.412629753018132 (5.78903e-09% change) linmin: converged after 3 iterations. iteration 1296: trace = 2.412629752936917 (3.36625e-09% change) linmin: converged after 5 iterations. iteration 1297: trace = 2.412629752886115 (2.10567e-09% change) large trace change predicted (5.0815e-09%) linmin: converged after 30 iterations. iteration 1298: trace = 2.412629752763515 (5.0816e-09% change) linmin: converged after 8 iterations. iteration 1299: trace = 2.412629752690727 (3.01698e-09% change) linmin: converged after 38 iterations. iteration 1300: trace = 2.412629752592583 (4.0679e-09% change) linmin: converged after 18 iterations. iteration 1301: trace = 2.412629752489281 (4.28173e-09% change) linmin: converged after 4 iterations. iteration 1302: trace = 2.412629752471359 (7.42845e-10% change) large trace change predicted (2.44872e-09%) linmin: converged after 28 iterations. iteration 1303: trace = 2.41262975241228 (2.44876e-09% change) linmin: converged after 4 iterations. iteration 1304: trace = 2.412629752376628 (1.4777e-09% change) linmin: converged after 3 iterations. iteration 1305: trace = 2.412629752357191 (8.0565e-10% change) large trace change predicted (2.63898e-09%) linmin: converged after 9 iterations. iteration 1306: trace = 2.412629752293523 (2.63894e-09% change) linmin: converged after 23 iterations. iteration 1307: trace = 2.412629752241498 (2.15634e-09% change) linmin: converged after 2 iterations. iteration 1308: trace = 2.412629752229971 (4.77805e-10% change) large trace change predicted (1.61003e-09%) linmin: converged after 18 iterations. iteration 1309: trace = 2.412629752191125 (1.61008e-09% change) linmin: converged after 2 iterations. iteration 1310: trace = 2.412629752176672 (5.99069e-10% change) linmin: converged after 12 iterations. iteration 1311: trace = 2.412629752167809 (3.67346e-10% change) linmin: converged after 19 iterations. iteration 1312: trace = 2.41262975215146 (6.77648e-10% change) linmin: converged after 5 iterations. iteration 1313: trace = 2.412629752119543 (1.32294e-09% change) linmin: converged after 17 iterations. iteration 1314: trace = 2.412629752104291 (6.32147e-10% change) large trace change predicted (2.22953e-09%) linmin: converged after 10 iterations. iteration 1315: trace = 2.412629752050501 (2.22953e-09% change) linmin: converged after 4 iterations. iteration 1316: trace = 2.41262975203415 (6.77704e-10% change) large trace change predicted (1.73052e-09%) linmin: converged after 4 iterations. iteration 1317: trace = 2.412629751992398 (1.73058e-09% change) large trace change predicted (3.80022e-09%) linmin: converged after 6 iterations. iteration 1318: trace = 2.412629751900716 (3.80009e-09% change) linmin: converged after 4 iterations. iteration 1319: trace = 2.412629751855262 (1.88398e-09% change) linmin: converged after 19 iterations. iteration 1320: trace = 2.412629751800265 (2.27956e-09% change) large trace change predicted (5.32944e-09%) linmin: converged after 21 iterations. iteration 1321: trace = 2.412629751671685 (5.32946e-09% change) linmin: converged after 8 iterations. iteration 1322: trace = 2.412629751644616 (1.12197e-09% change) linmin: converged after 10 iterations. iteration 1323: trace = 2.412629751601681 (1.77959e-09% change) linmin: converged after 4 iterations. iteration 1324: trace = 2.412629751544592 (2.36626e-09% change) linmin: converged after 12 iterations. iteration 1325: trace = 2.412629751534512 (4.17799e-10% change) large trace change predicted (2.02914e-09%) linmin: converged after 18 iterations. iteration 1326: trace = 2.412629751485556 (2.02913e-09% change) linmin: converged after 12 iterations. iteration 1327: trace = 2.412629751472368 (5.46647e-10% change) linmin: converged after 4 iterations. iteration 1328: trace = 2.412629751465104 (3.01062e-10% change) linmin: converged after 16 iterations. iteration 1329: trace = 2.412629751451304 (5.71993e-10% change) resetting CG direction... linmin: converged after 19 iterations. iteration 1330: trace = 2.412629751441995 (3.85844e-10% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.412629751436322 (2.35148e-10% change) large trace change predicted (4.92008e-10%) linmin: converged after 2 iterations. iteration 1332: trace = 2.41262975142445 (4.92089e-10% change) linmin: converged after 16 iterations. iteration 1333: trace = 2.412629751400893 (9.76392e-10% change) linmin: converged after 10 iterations. iteration 1334: trace = 2.412629751383613 (7.16247e-10% change) large trace change predicted (1.82443e-09%) linmin: converged after 13 iterations. iteration 1335: trace = 2.412629751339598 (1.82434e-09% change) linmin: converged after 6 iterations. iteration 1336: trace = 2.412629751322894 (6.92374e-10% change) large trace change predicted (2.07471e-09%) linmin: converged after 13 iterations. iteration 1337: trace = 2.412629751272838 (2.07475e-09% change) linmin: converged after 14 iterations. iteration 1338: trace = 2.412629751200171 (3.01191e-09% change) linmin: converged after 6 iterations. iteration 1339: trace = 2.412629751172607 (1.14251e-09% change) large trace change predicted (3.35386e-09%) linmin: converged after 11 iterations. iteration 1340: trace = 2.412629751091689 (3.35393e-09% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.412629751009129 (3.42196e-09% change) linmin: converged after 4 iterations. iteration 1342: trace = 2.412629750989969 (7.94182e-10% change) linmin: converged after 4 iterations. iteration 1343: trace = 2.412629750956418 (1.39062e-09% change) linmin: converged after 2 iterations. iteration 1344: trace = 2.412629750895868 (2.50974e-09% change) linmin: converged after 10 iterations. iteration 1345: trace = 2.412629750889071 (2.81717e-10% change) large trace change predicted (1.4371e-09%) linmin: converged after 4 iterations. iteration 1346: trace = 2.412629750854401 (1.43702e-09% change) linmin: converged after 7 iterations. iteration 1347: trace = 2.412629750839396 (6.21912e-10% change) linmin: converged after 3 iterations. iteration 1348: trace = 2.412629750832454 (2.87736e-10% change) linmin: converged after 4 iterations. iteration 1349: trace = 2.412629750819 (5.57672e-10% change) linmin: converged after 5 iterations. iteration 1350: trace = 2.412629750804569 (5.98131e-10% change) linmin: converged after 8 iterations. iteration 1351: trace = 2.412629750799901 (1.93474e-10% change) large trace change predicted (1.77238e-09%) linmin: converged after 17 iterations. iteration 1352: trace = 2.412629750757146 (1.77216e-09% change) linmin: converged after 12 iterations. iteration 1353: trace = 2.412629750720045 (1.53778e-09% change) linmin: converged after 6 iterations. iteration 1354: trace = 2.412629750702059 (7.45478e-10% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.412629750682192 (8.23467e-10% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.412629750651361 (1.27788e-09% change) linmin: converged after 9 iterations. iteration 1357: trace = 2.412629750630569 (8.61827e-10% change) large trace change predicted (2.62029e-09%) linmin: converged after 5 iterations. iteration 1358: trace = 2.412629750567349 (2.62036e-09% change) linmin: converged after 4 iterations. iteration 1359: trace = 2.412629750549673 (7.32648e-10% change) large trace change predicted (3.17057e-09%) linmin: converged after 4 iterations. iteration 1360: trace = 2.412629750473182 (3.17045e-09% change) linmin: converged after 19 iterations. iteration 1361: trace = 2.412629750403901 (2.87158e-09% change) linmin: converged after 21 iterations. iteration 1362: trace = 2.412629750312024 (3.80818e-09% change) linmin: converged after 26 iterations. iteration 1363: trace = 2.412629750243348 (2.84651e-09% change) linmin: converged after 15 iterations. iteration 1364: trace = 2.412629750215733 (1.14459e-09% change) large trace change predicted (2.99681e-09%) linmin: converged after 4 iterations. iteration 1365: trace = 2.412629750143431 (2.99682e-09% change) linmin: converged after 3 iterations. iteration 1366: trace = 2.412629750113363 (1.24629e-09% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.412629750103837 (3.94845e-10% change) large trace change predicted (1.79753e-09%) linmin: converged after 23 iterations. iteration 1368: trace = 2.412629750060469 (1.79754e-09% change) linmin: converged after 6 iterations. iteration 1369: trace = 2.412629750048949 (4.77474e-10% change) linmin: converged after 25 iterations. iteration 1370: trace = 2.412629750032419 (6.85158e-10% change) linmin: converged after 15 iterations. iteration 1371: trace = 2.412629750011623 (8.61956e-10% change) linmin: converged after 14 iterations. iteration 1372: trace = 2.412629750004998 (2.74575e-10% change) large trace change predicted (1.2595e-09%) linmin: converged after 7 iterations. iteration 1373: trace = 2.412629749974613 (1.25945e-09% change) linmin: converged after 2 iterations. iteration 1374: trace = 2.412629749959753 (6.15893e-10% change) linmin: converged after 12 iterations. iteration 1375: trace = 2.412629749952411 (3.04339e-10% change) large trace change predicted (1.64146e-09%) linmin: converged after 12 iterations. iteration 1376: trace = 2.412629749912809 (1.64143e-09% change) linmin: converged after 17 iterations. iteration 1377: trace = 2.412629749904083 (3.61695e-10% change) large trace change predicted (1.53902e-09%) linmin: converged after 5 iterations. iteration 1378: trace = 2.412629749866952 (1.539e-09% change) linmin: converged after 6 iterations. iteration 1379: trace = 2.412629749838286 (1.1882e-09% change) large trace change predicted (2.73749e-09%) linmin: converged after 21 iterations. iteration 1380: trace = 2.412629749772243 (2.73738e-09% change) linmin: converged after 5 iterations. iteration 1381: trace = 2.412629749756631 (6.47075e-10% change) large trace change predicted (3.6325e-09%) linmin: converged after 17 iterations. iteration 1382: trace = 2.41262974966899 (3.63259e-09% change) linmin: converged after 5 iterations. iteration 1383: trace = 2.412629749612043 (2.36038e-09% change) linmin: converged after 4 iterations. iteration 1384: trace = 2.412629749557288 (2.26951e-09% change) linmin: converged after 26 iterations. iteration 1385: trace = 2.412629749493279 (2.65309e-09% change) linmin: converged after 20 iterations. iteration 1386: trace = 2.412629749454938 (1.58919e-09% change) linmin: converged after 10 iterations. iteration 1387: trace = 2.412629749408137 (1.93982e-09% change) linmin: converged after 6 iterations. iteration 1388: trace = 2.412629749327676 (3.33499e-09% change) linmin: converged after 5 iterations. iteration 1389: trace = 2.412629749311012 (6.9068e-10% change) linmin: converged after 7 iterations. iteration 1390: trace = 2.41262974928682 (1.00273e-09% change) linmin: converged after 4 iterations. iteration 1391: trace = 2.412629749274504 (5.10496e-10% change) linmin: converged after 4 iterations. iteration 1392: trace = 2.412629749259505 (6.21655e-10% change) linmin: converged after 18 iterations. iteration 1393: trace = 2.412629749239148 (8.43807e-10% change) linmin: converged after 3 iterations. iteration 1394: trace = 2.412629749215643 (9.7422e-10% change) linmin: converged after 4 iterations. iteration 1395: trace = 2.412629749206566 (3.76254e-10% change) large trace change predicted (2.26574e-09%) linmin: converged after 2 iterations. iteration 1396: trace = 2.412629749151904 (2.26564e-09% change) large trace change predicted (1.16568e-08%) linmin: converged after 4 iterations. iteration 1397: trace = 2.412629748870666 (1.16569e-08% change) linmin: converged after 4 iterations. iteration 1398: trace = 2.412629748756963 (4.71284e-09% change) large trace change predicted (3.40752e-08%) linmin: converged after 4 iterations. iteration 1399: trace = 2.41262974793485 (3.40754e-08% change) resetting CG direction... linmin: converged after 13 iterations. iteration 1400: trace = 2.412629747609123 (1.35009e-08% change) linmin: converged after 4 iterations. iteration 1401: trace = 2.412629747566691 (1.75876e-09% change) large trace change predicted (6.23889e-09%) linmin: converged after 3 iterations. iteration 1402: trace = 2.412629747416172 (6.23876e-09% change) linmin: converged after 2 iterations. iteration 1403: trace = 2.412629747346273 (2.89724e-09% change) linmin: converged after 2 iterations. iteration 1404: trace = 2.412629747312993 (1.37941e-09% change) linmin: converged after 6 iterations. iteration 1405: trace = 2.412629747282349 (1.27013e-09% change) linmin: converged after 4 iterations. iteration 1406: trace = 2.412629747241782 (1.68147e-09% change) linmin: converged after 2 iterations. iteration 1407: trace = 2.412629747230548 (4.65638e-10% change) large trace change predicted (1.42629e-09%) linmin: converged after 3 iterations. iteration 1408: trace = 2.412629747196136 (1.42631e-09% change) linmin: converged after 4 iterations. iteration 1409: trace = 2.412629747184705 (4.73811e-10% change) linmin: converged after 12 iterations. iteration 1410: trace = 2.412629747166181 (7.67768e-10% change) linmin: converged after 7 iterations. iteration 1411: trace = 2.412629747155916 (4.25474e-10% change) linmin: converged after 3 iterations. iteration 1412: trace = 2.412629747150669 (2.17495e-10% change) linmin: converged after 3 iterations. iteration 1413: trace = 2.412629747144602 (2.51456e-10% change) linmin: converged after 8 iterations. iteration 1414: trace = 2.412629747134135 (4.3385e-10% change) linmin: converged after 6 iterations. iteration 1415: trace = 2.412629747130711 (1.41898e-10% change) large trace change predicted (6.10392e-10%) linmin: converged after 3 iterations. iteration 1416: trace = 2.412629747115985 (6.10371e-10% change) linmin: converged after 14 iterations. iteration 1417: trace = 2.412629747103849 (5.03022e-10% change) linmin: converged after 7 iterations. iteration 1418: trace = 2.412629747096434 (3.07376e-10% change) large trace change predicted (9.03859e-10%) linmin: converged after 15 iterations. iteration 1419: trace = 2.412629747074628 (9.03795e-10% change) linmin: converged after 4 iterations. iteration 1420: trace = 2.412629747044051 (1.26739e-09% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.412629747036468 (3.14315e-10% change) large trace change predicted (1.66292e-09%) linmin: converged after 10 iterations. iteration 1422: trace = 2.412629746996349 (1.66286e-09% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.412629746985881 (4.33905e-10% change) linmin: converged after 3 iterations. iteration 1424: trace = 2.412629746969449 (6.81054e-10% change) linmin: converged after 4 iterations. iteration 1425: trace = 2.412629746945281 (1.00176e-09% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.412629746929147 (6.68721e-10% change) linmin: converged after 7 iterations. iteration 1427: trace = 2.412629746926041 (1.28719e-10% change) linmin: converged after 4 iterations. iteration 1428: trace = 2.412629746921242 (1.98923e-10% change) linmin: converged after 7 iterations. iteration 1429: trace = 2.412629746912748 (3.52049e-10% change) linmin: converged after 3 iterations. iteration 1430: trace = 2.412629746905693 (2.9243e-10% change) linmin: converged after 4 iterations. iteration 1431: trace = 2.412629746902486 (1.32953e-10% change) large trace change predicted (4.34248e-10%) linmin: converged after 11 iterations. iteration 1432: trace = 2.412629746892007 (4.34328e-10% change) linmin: converged after 13 iterations. iteration 1433: trace = 2.412629746890513 (6.19207e-11% change) Finished solving for bands 1 to 10 after 1433 iterations. tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 elapsed time for k point: 12.025022983551025 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.507713985909253 (1.59188% change) linmin: converged after 4 iterations. iteration 2: trace = 2.485279161564237 (0.898652% change) linmin: converged after 4 iterations. iteration 3: trace = 2.473300433001331 (0.483152% change) linmin: converged after 4 iterations. iteration 4: trace = 2.471538512190564 (0.071263% change) large trace change predicted (0.219371%) linmin: converged after 3 iterations. iteration 5: trace = 2.466059289837871 (0.221939% change) linmin: converged after 4 iterations. iteration 6: trace = 2.464717523270199 (0.0544241% change) linmin: converged after 4 iterations. iteration 7: trace = 2.46363578384327 (0.0438986% change) linmin: converged after 3 iterations. iteration 8: trace = 2.462593076611024 (0.0423329% change) linmin: converged after 4 iterations. iteration 9: trace = 2.462286932461276 (0.0124326% change) linmin: converged after 3 iterations. iteration 10: trace = 2.461752162924051 (0.0217208% change) linmin: converged after 4 iterations. iteration 11: trace = 2.461484370670815 (0.0108787% change) linmin: converged after 3 iterations. iteration 12: trace = 2.461340116065417 (0.00586064% change) large trace change predicted (0.0129832%) linmin: converged after 3 iterations. iteration 13: trace = 2.461019984093813 (0.0130073% change) linmin: converged after 3 iterations. iteration 14: trace = 2.460939639245447 (0.00326475% change) large trace change predicted (0.0070093%) linmin: converged after 3 iterations. iteration 15: trace = 2.460767349107734 (0.00700124% change) linmin: converged after 4 iterations. iteration 16: trace = 2.460655437132787 (0.00454795% change) linmin: converged after 4 iterations. iteration 17: trace = 2.460570973723221 (0.00343262% change) linmin: converged after 3 iterations. iteration 18: trace = 2.460446786303572 (0.00504723% change) linmin: converged after 4 iterations. iteration 19: trace = 2.460369613396028 (0.00313659% change) large trace change predicted (0.00795679%) linmin: converged after 4 iterations. iteration 20: trace = 2.460173576143728 (0.00796811% change) linmin: converged after 4 iterations. iteration 21: trace = 2.459919542489344 (0.0103264% change) linmin: converged after 4 iterations. iteration 22: trace = 2.459712837233604 (0.00840328% change) linmin: converged after 4 iterations. iteration 23: trace = 2.459365499297269 (0.0141221% change) linmin: converged after 3 iterations. iteration 24: trace = 2.459091691742681 (0.0111339% change) linmin: converged after 4 iterations. iteration 25: trace = 2.458658850278316 (0.0176032% change) linmin: converged after 4 iterations. iteration 26: trace = 2.45837578815362 (0.0115135% change) linmin: converged after 4 iterations. iteration 27: trace = 2.458262680161734 (0.00460103% change) large trace change predicted (0.0113358%) linmin: converged after 4 iterations. iteration 28: trace = 2.457986293200407 (0.0112438% change) linmin: converged after 4 iterations. iteration 29: trace = 2.457774366463829 (0.00862234% change) linmin: converged after 4 iterations. iteration 30: trace = 2.457671503282361 (0.0041853% change) linmin: converged after 4 iterations. iteration 31: trace = 2.457500671235163 (0.00695121% change) linmin: converged after 4 iterations. iteration 32: trace = 2.457364690361219 (0.00553345% change) linmin: converged after 4 iterations. iteration 33: trace = 2.457316173045923 (0.00197438% change) large trace change predicted (0.0049619%) linmin: converged after 4 iterations. iteration 34: trace = 2.457194684027967 (0.00494409% change) linmin: converged after 4 iterations. iteration 35: trace = 2.457143235304573 (0.00209382% change) linmin: converged after 4 iterations. iteration 36: trace = 2.457081169049488 (0.00252598% change) linmin: converged after 3 iterations. iteration 37: trace = 2.457025704678373 (0.00225735% change) linmin: converged after 3 iterations. iteration 38: trace = 2.4569835796467 (0.00171449% change) linmin: converged after 3 iterations. iteration 39: trace = 2.456938445896089 (0.00183697% change) linmin: converged after 3 iterations. iteration 40: trace = 2.456868651029056 (0.00284077% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456832201357737 (0.00148359% change) linmin: converged after 3 iterations. iteration 42: trace = 2.456762746387228 (0.00282705% change) linmin: converged after 3 iterations. iteration 43: trace = 2.456633754385877 (0.00525062% change) linmin: converged after 3 iterations. iteration 44: trace = 2.456571978694712 (0.00251468% change) linmin: converged after 3 iterations. iteration 45: trace = 2.456460127600202 (0.00455324% change) large trace change predicted (0.00975227%) linmin: converged after 4 iterations. iteration 46: trace = 2.456217913606074 (0.00986077% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456161011874888 (0.00231667% change) large trace change predicted (0.0100951%) linmin: converged after 4 iterations. iteration 48: trace = 2.455910183905917 (0.0102127% change) linmin: converged after 3 iterations. iteration 49: trace = 2.455766265407017 (0.00586026% change) linmin: converged after 3 iterations. iteration 50: trace = 2.455707449206866 (0.00239505% change) large trace change predicted (0.00907682%) linmin: converged after 3 iterations. iteration 51: trace = 2.455483823273219 (0.00910679% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455406692493493 (0.00314121% change) linmin: converged after 5 iterations. iteration 53: trace = 2.45534500656597 (0.00251228% change) large trace change predicted (0.00508812%) linmin: converged after 3 iterations. iteration 54: trace = 2.455219784774919 (0.0051001% change) linmin: converged after 3 iterations. iteration 55: trace = 2.455179404957257 (0.00164467% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455132067683953 (0.00192808% change) linmin: converged after 3 iterations. iteration 57: trace = 2.455082993179066 (0.00199887% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455065990994846 (0.000692532% change) linmin: converged after 4 iterations. iteration 59: trace = 2.455039195062922 (0.00109146% change) linmin: converged after 3 iterations. iteration 60: trace = 2.45500771118878 (0.00128243% change) linmin: converged after 4 iterations. iteration 61: trace = 2.454994438728737 (0.00054063% change) large trace change predicted (0.00171818%) linmin: converged after 3 iterations. iteration 62: trace = 2.454952189992032 (0.00172094% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454876585849618 (0.00307971% change) linmin: converged after 3 iterations. iteration 64: trace = 2.454854300869789 (0.000907788% change) large trace change predicted (0.00569488%) linmin: converged after 4 iterations. iteration 65: trace = 2.454714694019299 (0.00568713% change) linmin: converged after 3 iterations. iteration 66: trace = 2.454624975040771 (0.00365503% change) linmin: converged after 4 iterations. iteration 67: trace = 2.45457530223749 (0.00202366% change) large trace change predicted (0.0062657%) linmin: converged after 4 iterations. iteration 68: trace = 2.454421988937807 (0.00624622% change) linmin: converged after 3 iterations. iteration 69: trace = 2.454353550269073 (0.00278842% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.454327016494556 (0.0010811% change) linmin: converged after 3 iterations. iteration 71: trace = 2.454277390885514 (0.00202198% change) linmin: converged after 3 iterations. iteration 72: trace = 2.454243048471604 (0.0013993% change) linmin: converged after 5 iterations. iteration 73: trace = 2.454222272437312 (0.000846539% change) linmin: converged after 9 iterations. iteration 74: trace = 2.454184860170908 (0.00152442% change) linmin: converged after 4 iterations. iteration 75: trace = 2.454170636275528 (0.000579579% change) linmin: converged after 5 iterations. iteration 76: trace = 2.454152682757256 (0.000731554% change) linmin: converged after 5 iterations. iteration 77: trace = 2.454135393107265 (0.000704508% change) linmin: converged after 3 iterations. iteration 78: trace = 2.454127763230099 (0.000310899% change) linmin: converged after 6 iterations. iteration 79: trace = 2.454116641207926 (0.000453198% change) linmin: converged after 3 iterations. iteration 80: trace = 2.454100874828616 (0.000642448% change) linmin: converged after 3 iterations. iteration 81: trace = 2.454095378223422 (0.000223977% change) large trace change predicted (0.000568781%) linmin: converged after 3 iterations. iteration 82: trace = 2.454081421269703 (0.000568723% change) linmin: converged after 3 iterations. iteration 83: trace = 2.454062352865409 (0.000777011% change) linmin: converged after 6 iterations. iteration 84: trace = 2.45405109984487 (0.000458548% change) linmin: converged after 3 iterations. iteration 85: trace = 2.454030977801129 (0.000819955% change) linmin: converged after 5 iterations. iteration 86: trace = 2.454004108702677 (0.0010949% change) linmin: converged after 3 iterations. iteration 87: trace = 2.453991364569639 (0.000519321% change) large trace change predicted (0.00138482%) linmin: converged after 4 iterations. iteration 88: trace = 2.45395739259282 (0.00138437% change) linmin: converged after 6 iterations. iteration 89: trace = 2.453918823166042 (0.00157174% change) linmin: converged after 3 iterations. iteration 90: trace = 2.45389448882618 (0.000991657% change) linmin: converged after 4 iterations. iteration 91: trace = 2.453860285099449 (0.00139386% change) linmin: converged after 4 iterations. iteration 92: trace = 2.453827450047189 (0.00133811% change) linmin: converged after 3 iterations. iteration 93: trace = 2.453820252857478 (0.000293305% change) large trace change predicted (0.0012793%) linmin: converged after 4 iterations. iteration 94: trace = 2.453788863224406 (0.00127922% change) linmin: converged after 4 iterations. iteration 95: trace = 2.453781946499955 (0.00028188% change) large trace change predicted (0.000821764%) linmin: converged after 6 iterations. iteration 96: trace = 2.453761797235113 (0.000821155% change) linmin: converged after 3 iterations. iteration 97: trace = 2.453746361645881 (0.00062906% change) linmin: converged after 3 iterations. iteration 98: trace = 2.453733612248639 (0.00051959% change) linmin: converged after 7 iterations. iteration 99: trace = 2.453727671009575 (0.000242131% change) large trace change predicted (0.000528031%) linmin: converged after 4 iterations. iteration 100: trace = 2.453714712926722 (0.000528099% change) linmin: converged after 4 iterations. iteration 101: trace = 2.453708305626924 (0.000261127% change) linmin: converged after 3 iterations. iteration 102: trace = 2.453701076402193 (0.000294625% change) large trace change predicted (0.00065191%) linmin: converged after 4 iterations. iteration 103: trace = 2.453685087330305 (0.000651633% change) linmin: converged after 3 iterations. iteration 104: trace = 2.453674225179957 (0.000442688% change) large trace change predicted (0.000944268%) linmin: converged after 3 iterations. iteration 105: trace = 2.453651066587232 (0.000943838% change) large trace change predicted (0.00209471%) linmin: converged after 4 iterations. iteration 106: trace = 2.453599505384211 (0.00210143% change) linmin: converged after 5 iterations. iteration 107: trace = 2.453582835442093 (0.00067941% change) large trace change predicted (0.00176196%) linmin: converged after 3 iterations. iteration 108: trace = 2.453539425951453 (0.00176924% change) linmin: converged after 3 iterations. iteration 109: trace = 2.45347778408187 (0.0025124% change) linmin: converged after 4 iterations. iteration 110: trace = 2.453464638519382 (0.000535794% change) large trace change predicted (0.00221849%) linmin: converged after 3 iterations. iteration 111: trace = 2.453410122390943 (0.00222203% change) linmin: converged after 4 iterations. iteration 112: trace = 2.453385543652673 (0.00100182% change) linmin: converged after 3 iterations. iteration 113: trace = 2.453376194131596 (0.000381087% change) large trace change predicted (0.00112562%) linmin: converged after 10 iterations. iteration 114: trace = 2.453348578245827 (0.00112563% change) linmin: converged after 3 iterations. iteration 115: trace = 2.453338345520876 (0.000417093% change) linmin: converged after 6 iterations. iteration 116: trace = 2.453328301306341 (0.000409411% change) linmin: converged after 3 iterations. iteration 117: trace = 2.453315434920004 (0.000524448% change) linmin: converged after 3 iterations. iteration 118: trace = 2.453301865852209 (0.000553093% change) linmin: converged after 3 iterations. iteration 119: trace = 2.453295841849039 (0.000245547% change) large trace change predicted (0.000595206%) linmin: converged after 4 iterations. iteration 120: trace = 2.453281236975756 (0.000595318% change) linmin: converged after 3 iterations. iteration 121: trace = 2.453275432046294 (0.000236619% change) large trace change predicted (0.000476219%) linmin: converged after 3 iterations. iteration 122: trace = 2.453263754904908 (0.000475983% change) linmin: converged after 4 iterations. iteration 123: trace = 2.453247003676034 (0.000682816% change) linmin: converged after 4 iterations. iteration 124: trace = 2.453236665069777 (0.000421426% change) large trace change predicted (0.00103912%) linmin: converged after 3 iterations. iteration 125: trace = 2.453211127274053 (0.00104099% change) linmin: converged after 3 iterations. iteration 126: trace = 2.453161537989081 (0.00202142% change) linmin: converged after 3 iterations. iteration 127: trace = 2.453137345994403 (0.000986161% change) large trace change predicted (0.00307389%) linmin: converged after 3 iterations. iteration 128: trace = 2.453061652253304 (0.00308564% change) linmin: converged after 3 iterations. iteration 129: trace = 2.452970789505381 (0.00370412% change) linmin: converged after 4 iterations. iteration 130: trace = 2.452952081275762 (0.000762679% change) linmin: converged after 3 iterations. iteration 131: trace = 2.452919556217591 (0.00132596% change) linmin: converged after 3 iterations. iteration 132: trace = 2.45289705839666 (0.00091719% change) linmin: converged after 3 iterations. iteration 133: trace = 2.452890291786226 (0.000275862% change) large trace change predicted (0.0012815%) linmin: converged after 3 iterations. iteration 134: trace = 2.45285884203567 (0.00128216% change) linmin: converged after 3 iterations. iteration 135: trace = 2.452842142353985 (0.000680828% change) linmin: converged after 5 iterations. iteration 136: trace = 2.452828597087275 (0.000552229% change) linmin: converged after 4 iterations. iteration 137: trace = 2.452814237817685 (0.000585418% change) linmin: converged after 4 iterations. iteration 138: trace = 2.452797884596636 (0.000666715% change) linmin: converged after 3 iterations. iteration 139: trace = 2.452782688814807 (0.00061953% change) resetting CG direction... linmin: converged after 6 iterations. iteration 140: trace = 2.452772570838299 (0.000412511% change) linmin: converged after 3 iterations. iteration 141: trace = 2.452765277704286 (0.000297343% change) linmin: converged after 3 iterations. iteration 142: trace = 2.452757177275971 (0.000330258% change) linmin: converged after 3 iterations. iteration 143: trace = 2.45275054020818 (0.000270597% change) linmin: converged after 6 iterations. iteration 144: trace = 2.452740078102712 (0.000426547% change) linmin: converged after 3 iterations. iteration 145: trace = 2.452727557207261 (0.000510487% change) linmin: converged after 18 iterations. iteration 146: trace = 2.452721545794444 (0.000245091% change) large trace change predicted (0.000699793%) linmin: converged after 7 iterations. iteration 147: trace = 2.45270438334119 (0.000699733% change) linmin: converged after 4 iterations. iteration 148: trace = 2.452683587709759 (0.000847869% change) linmin: converged after 3 iterations. iteration 149: trace = 2.45267548035887 (0.000330551% change) large trace change predicted (0.000951637%) linmin: converged after 4 iterations. iteration 150: trace = 2.452652194608251 (0.000949407% change) linmin: converged after 5 iterations. iteration 151: trace = 2.452626253195069 (0.00105769% change) linmin: converged after 3 iterations. iteration 152: trace = 2.452610439822919 (0.000644755% change) linmin: converged after 4 iterations. iteration 153: trace = 2.452596637962825 (0.000562743% change) linmin: converged after 7 iterations. iteration 154: trace = 2.452581427899597 (0.000620164% change) linmin: converged after 6 iterations. iteration 155: trace = 2.452577712274604 (0.000151499% change) large trace change predicted (0.000381839%) linmin: converged after 7 iterations. iteration 156: trace = 2.452568349809934 (0.000381741% change) linmin: converged after 4 iterations. iteration 157: trace = 2.452559675257392 (0.000353693% change) linmin: converged after 4 iterations. iteration 158: trace = 2.45255737876787 (9.36365e-05% change) large trace change predicted (0.000272619%) linmin: converged after 4 iterations. iteration 159: trace = 2.45255069313247 (0.000272599% change) linmin: converged after 3 iterations. iteration 160: trace = 2.452546275616604 (0.000180119% change) linmin: converged after 3 iterations. iteration 161: trace = 2.452544527278531 (7.12867e-05% change) large trace change predicted (0.000198491%) linmin: converged after 4 iterations. iteration 162: trace = 2.452539659430474 (0.000198482% change) linmin: converged after 3 iterations. iteration 163: trace = 2.452534999193734 (0.000190017% change) linmin: converged after 5 iterations. iteration 164: trace = 2.452531349661507 (0.000148807% change) linmin: converged after 3 iterations. iteration 165: trace = 2.452525840176924 (0.000224645% change) linmin: converged after 3 iterations. iteration 166: trace = 2.45251659721641 (0.000376876% change) linmin: converged after 3 iterations. iteration 167: trace = 2.452512716096344 (0.000158251% change) large trace change predicted (0.000782672%) linmin: converged after 3 iterations. iteration 168: trace = 2.452493494599059 (0.00078375% change) linmin: converged after 3 iterations. iteration 169: trace = 2.452486808577861 (0.000272622% change) large trace change predicted (0.000588015%) linmin: converged after 3 iterations. iteration 170: trace = 2.452472378944101 (0.000588369% change) linmin: converged after 3 iterations. iteration 171: trace = 2.452455774176158 (0.000677065% change) linmin: converged after 3 iterations. iteration 172: trace = 2.452448229987636 (0.000307618% change) linmin: converged after 3 iterations. iteration 173: trace = 2.452434929310388 (0.000542344% change) linmin: converged after 3 iterations. iteration 174: trace = 2.452422235944708 (0.000517583% change) linmin: converged after 3 iterations. iteration 175: trace = 2.452418708502169 (0.000143835% change) large trace change predicted (0.000386489%) linmin: converged after 3 iterations. iteration 176: trace = 2.452409228696467 (0.00038655% change) linmin: converged after 3 iterations. iteration 177: trace = 2.45240024885704 (0.000366165% change) linmin: converged after 4 iterations. iteration 178: trace = 2.452397991151999 (9.20611e-05% change) large trace change predicted (0.000271156%) linmin: converged after 3 iterations. iteration 179: trace = 2.452391339126951 (0.000271246% change) linmin: converged after 3 iterations. iteration 180: trace = 2.452386970176984 (0.000178151% change) linmin: converged after 3 iterations. iteration 181: trace = 2.452385697130597 (5.19105e-05% change) large trace change predicted (0.000170125%) linmin: converged after 3 iterations. iteration 182: trace = 2.452381525032257 (0.000170124% change) linmin: converged after 3 iterations. iteration 183: trace = 2.452378255486216 (0.000133321% change) linmin: converged after 3 iterations. iteration 184: trace = 2.452377028242287 (5.0043e-05% change) large trace change predicted (0.000164555%) linmin: converged after 3 iterations. iteration 185: trace = 2.452372992755737 (0.000164554% change) linmin: converged after 4 iterations. iteration 186: trace = 2.452368850383033 (0.000168913% change) linmin: converged after 3 iterations. iteration 187: trace = 2.452366912889036 (7.9005e-05% change) large trace change predicted (0.000417383%) linmin: converged after 7 iterations. iteration 188: trace = 2.452356678344031 (0.000417334% change) linmin: converged after 3 iterations. iteration 189: trace = 2.452350276352157 (0.000261055% change) linmin: converged after 4 iterations. iteration 190: trace = 2.452345971237587 (0.000175551% change) large trace change predicted (0.000560503%) linmin: converged after 4 iterations. iteration 191: trace = 2.452332231135114 (0.000560286% change) linmin: converged after 4 iterations. iteration 192: trace = 2.452329110713686 (0.000127243% change) large trace change predicted (0.00045039%) linmin: converged after 3 iterations. iteration 193: trace = 2.452318069706833 (0.000450226% change) linmin: converged after 5 iterations. iteration 194: trace = 2.452310488056405 (0.000309163% change) linmin: converged after 3 iterations. iteration 195: trace = 2.452306394220442 (0.000166938% change) linmin: converged after 5 iterations. iteration 196: trace = 2.452300351418192 (0.000246413% change) linmin: converged after 4 iterations. iteration 197: trace = 2.452293868489042 (0.000264361% change) linmin: converged after 3 iterations. iteration 198: trace = 2.452292566759137 (5.30821e-05% change) large trace change predicted (0.000201454%) linmin: converged after 3 iterations. iteration 199: trace = 2.45228762671193 (0.000201446% change) linmin: converged after 3 iterations. iteration 200: trace = 2.452285322655437 (9.39554e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.452284130416469 (4.86175e-05% change) large trace change predicted (0.000116573%) linmin: converged after 3 iterations. iteration 202: trace = 2.452281271627409 (0.000116577% change) linmin: converged after 3 iterations. iteration 203: trace = 2.452278294145548 (0.000121417% change) linmin: converged after 4 iterations. iteration 204: trace = 2.452277204502076 (4.44339e-05% change) large trace change predicted (0.000108693%) linmin: converged after 3 iterations. iteration 205: trace = 2.45227453846246 (0.000108717% change) linmin: converged after 5 iterations. iteration 206: trace = 2.452269291426804 (0.000213966% change) linmin: converged after 3 iterations. iteration 207: trace = 2.452267662169495 (6.64388e-05% change) large trace change predicted (0.000296096%) linmin: converged after 3 iterations. iteration 208: trace = 2.452260396215607 (0.000296296% change) linmin: converged after 3 iterations. iteration 209: trace = 2.45225166485298 (0.000356054% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.452247439278862 (0.000172314% change) linmin: converged after 7 iterations. iteration 211: trace = 2.452239779758671 (0.000312347% change) linmin: converged after 3 iterations. iteration 212: trace = 2.452237367957184 (9.8351e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.452234809025892 (0.000104351% change) linmin: converged after 15 iterations. iteration 214: trace = 2.452231354286834 (0.000140881% change) linmin: converged after 3 iterations. iteration 215: trace = 2.452230005968953 (5.49833e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.452227905128951 (8.56706e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.452225535367658 (9.66371e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.452224453689048 (4.41101e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.452222322762348 (8.68977e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.452219719417787 (0.000106163% change) linmin: converged after 3 iterations. iteration 221: trace = 2.452218183218178 (6.26453e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.452216459608282 (7.02878e-05% change) large trace change predicted (0.000179911%) linmin: converged after 5 iterations. iteration 223: trace = 2.452212045492919 (0.000180005% change) linmin: converged after 4 iterations. iteration 224: trace = 2.452210586190468 (5.95097e-05% change) large trace change predicted (0.000210216%) linmin: converged after 3 iterations. iteration 225: trace = 2.452205427108979 (0.000210385% change) linmin: converged after 4 iterations. iteration 226: trace = 2.452199607805635 (0.000237309% change) linmin: converged after 5 iterations. iteration 227: trace = 2.452195910523776 (0.000150774% change) linmin: converged after 3 iterations. iteration 228: trace = 2.452193302147046 (0.000106369% change) large trace change predicted (0.000330405%) linmin: converged after 4 iterations. iteration 229: trace = 2.45218519915589 (0.000330439% change) linmin: converged after 7 iterations. iteration 230: trace = 2.45218126004048 (0.000160637% change) linmin: converged after 3 iterations. iteration 231: trace = 2.452177953320755 (0.000134848% change) linmin: converged after 3 iterations. iteration 232: trace = 2.452171855617065 (0.000248665% change) linmin: converged after 4 iterations. iteration 233: trace = 2.452170729833905 (4.59096e-05% change) large trace change predicted (0.000155844%) linmin: converged after 3 iterations. iteration 234: trace = 2.452166905938778 (0.000155939% change) linmin: converged after 3 iterations. iteration 235: trace = 2.452164946747112 (7.98964e-05% change) linmin: converged after 4 iterations. iteration 236: trace = 2.452163392132787 (6.33976e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.452162131133532 (5.1424e-05% change) large trace change predicted (0.000129359%) linmin: converged after 3 iterations. iteration 238: trace = 2.452158958413194 (0.000129385% change) linmin: converged after 3 iterations. iteration 239: trace = 2.452158275174888 (2.78627e-05% change) large trace change predicted (0.00012237%) linmin: converged after 3 iterations. iteration 240: trace = 2.452155274307407 (0.000122377% change) linmin: converged after 9 iterations. iteration 241: trace = 2.452152615587393 (0.000108424% change) linmin: converged after 4 iterations. iteration 242: trace = 2.452151636431322 (3.99305e-05% change) large trace change predicted (0.000164569%) linmin: converged after 12 iterations. iteration 243: trace = 2.452147601355149 (0.000164553% change) linmin: converged after 5 iterations. iteration 244: trace = 2.452144621795718 (0.000121508% change) linmin: converged after 3 iterations. iteration 245: trace = 2.452142412523164 (9.00956e-05% change) large trace change predicted (0.000214265%) linmin: converged after 3 iterations. iteration 246: trace = 2.452137160888456 (0.000214165% change) linmin: converged after 3 iterations. iteration 247: trace = 2.452129275312435 (0.00032158% change) linmin: converged after 6 iterations. iteration 248: trace = 2.452126372462974 (0.000118381% change) large trace change predicted (0.000459561%) linmin: converged after 14 iterations. iteration 249: trace = 2.452115115152491 (0.000459085% change) linmin: converged after 4 iterations. iteration 250: trace = 2.452111763758238 (0.000136674% change) large trace change predicted (0.000297415%) linmin: converged after 19 iterations. iteration 251: trace = 2.452104477533321 (0.000297141% change) linmin: converged after 3 iterations. iteration 252: trace = 2.452100076548783 (0.000179478% change) linmin: converged after 3 iterations. iteration 253: trace = 2.452096031095323 (0.000164979% change) linmin: converged after 5 iterations. iteration 254: trace = 2.452094830732901 (4.89525e-05% change) large trace change predicted (0.000113346%) linmin: converged after 3 iterations. iteration 255: trace = 2.452092051510675 (0.000113341% change) linmin: converged after 5 iterations. iteration 256: trace = 2.452090752207555 (5.29875e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.45208986655014 (3.61185e-05% change) large trace change predicted (0.000100902%) linmin: converged after 8 iterations. iteration 258: trace = 2.452087392480153 (0.000100896% change) linmin: converged after 22 iterations. iteration 259: trace = 2.452086383958461 (4.11291e-05% change) linmin: converged after 5 iterations. iteration 260: trace = 2.452085152469943 (5.02221e-05% change) linmin: converged after 4 iterations. iteration 261: trace = 2.452082753116231 (9.78496e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.452081334342666 (5.786e-05% change) large trace change predicted (0.000154627%) linmin: converged after 3 iterations. iteration 263: trace = 2.452077542649516 (0.000154632% change) linmin: converged after 4 iterations. iteration 264: trace = 2.452071671681119 (0.000239429% change) linmin: converged after 4 iterations. iteration 265: trace = 2.452069632272992 (8.31709e-05% change) large trace change predicted (0.000180755%) linmin: converged after 5 iterations. iteration 266: trace = 2.452065198993772 (0.000180798% change) linmin: converged after 7 iterations. iteration 267: trace = 2.452056950140556 (0.000336405% change) linmin: converged after 4 iterations. iteration 268: trace = 2.45205409803041 (0.000116315% change) large trace change predicted (0.000275497%) linmin: converged after 3 iterations. iteration 269: trace = 2.452047328173189 (0.00027609% change) linmin: converged after 3 iterations. iteration 270: trace = 2.452040138586268 (0.000293208% change) linmin: converged after 3 iterations. iteration 271: trace = 2.452038580574617 (6.35394e-05% change) large trace change predicted (0.0002236%) linmin: converged after 3 iterations. iteration 272: trace = 2.452033093357528 (0.000223782% change) linmin: converged after 3 iterations. iteration 273: trace = 2.452029212615683 (0.000158266% change) linmin: converged after 3 iterations. iteration 274: trace = 2.452028342406178 (3.54894e-05% change) large trace change predicted (9.60583e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.452025986550546 (9.60779e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.452024019452791 (8.02234e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.452023473159935 (2.22793e-05% change) large trace change predicted (0.000123007%) linmin: converged after 5 iterations. iteration 278: trace = 2.452020456805498 (0.000123015% change) linmin: converged after 4 iterations. iteration 279: trace = 2.45201452953042 (0.000241731% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.452009727461228 (0.000195842% change) linmin: converged after 4 iterations. iteration 281: trace = 2.452007540531449 (8.91893e-05% change) linmin: converged after 5 iterations. iteration 282: trace = 2.452006657649647 (3.60065e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.45200532183798 (5.44783e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.452003115505384 (8.99808e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.45200235583181 (3.09818e-05% change) large trace change predicted (8.11842e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.452000366439965 (8.11334e-05% change) linmin: converged after 12 iterations. iteration 287: trace = 2.451996418703733 (0.000161001% change) linmin: converged after 3 iterations. iteration 288: trace = 2.451995334938363 (4.41993e-05% change) large trace change predicted (0.000170194%) linmin: converged after 5 iterations. iteration 289: trace = 2.451991166288022 (0.000170011% change) linmin: converged after 4 iterations. iteration 290: trace = 2.451986280180539 (0.000199271% change) linmin: converged after 4 iterations. iteration 291: trace = 2.451984139544748 (8.73021e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.451980067482785 (0.000166072% change) linmin: converged after 7 iterations. iteration 293: trace = 2.451974677609453 (0.000219817% change) linmin: converged after 3 iterations. iteration 294: trace = 2.45197381669557 (3.5111e-05% change) large trace change predicted (0.000145934%) linmin: converged after 11 iterations. iteration 295: trace = 2.451970240797099 (0.000145838% change) linmin: converged after 4 iterations. iteration 296: trace = 2.451968866179818 (5.60618e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.451967957960132 (3.70404e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.451966311815795 (6.71357e-05% change) linmin: converged after 16 iterations. iteration 299: trace = 2.451965168062407 (4.66464e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.451964505865855 (2.70068e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.451963500671679 (4.09955e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.451962964343065 (2.18734e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.451962083481351 (3.59248e-05% change) large trace change predicted (7.403e-05%) linmin: converged after 3 iterations. iteration 304: trace = 2.451960267768574 (7.40514e-05% change) linmin: converged after 4 iterations. iteration 305: trace = 2.451959240259281 (4.19056e-05% change) linmin: converged after 4 iterations. iteration 306: trace = 2.45195840324676 (3.41365e-05% change) large trace change predicted (9.86787e-05%) linmin: converged after 4 iterations. iteration 307: trace = 2.451955982741342 (9.87173e-05% change) linmin: converged after 3 iterations. iteration 308: trace = 2.451953841268762 (8.73374e-05% change) linmin: converged after 4 iterations. iteration 309: trace = 2.45195130880107 (0.000103284% change) linmin: converged after 3 iterations. iteration 310: trace = 2.451947245150415 (0.000165731% change) linmin: converged after 3 iterations. iteration 311: trace = 2.451945802462522 (5.88385e-05% change) large trace change predicted (0.000140241%) linmin: converged after 5 iterations. iteration 312: trace = 2.451942362711292 (0.000140287% change) linmin: converged after 3 iterations. iteration 313: trace = 2.451939479922509 (0.000117572% change) linmin: converged after 3 iterations. iteration 314: trace = 2.451938683602901 (3.24771e-05% change) large trace change predicted (8.36285e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.451936632622227 (8.36473e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.451935089349582 (6.2941e-05% change) linmin: converged after 3 iterations. iteration 317: trace = 2.451934541920565 (2.23264e-05% change) large trace change predicted (6.49707e-05%) linmin: converged after 4 iterations. iteration 318: trace = 2.451932948678755 (6.4979e-05% change) linmin: converged after 3 iterations. iteration 319: trace = 2.45193165637232 (5.27056e-05% change) linmin: converged after 13 iterations. iteration 320: trace = 2.45193107924358 (2.35377e-05% change) linmin: converged after 4 iterations. iteration 321: trace = 2.451930344007868 (2.9986e-05% change) linmin: converged after 3 iterations. iteration 322: trace = 2.451929427592482 (3.73753e-05% change) linmin: converged after 2 iterations. iteration 323: trace = 2.451929215890909 (8.63408e-06% change) large trace change predicted (3.87992e-05%) linmin: converged after 4 iterations. iteration 324: trace = 2.451928264644343 (3.87958e-05% change) linmin: converged after 3 iterations. iteration 325: trace = 2.451927466356714 (3.25575e-05% change) linmin: converged after 4 iterations. iteration 326: trace = 2.451927088765477 (1.53998e-05% change) large trace change predicted (5.28495e-05%) linmin: converged after 3 iterations. iteration 327: trace = 2.451925793408558 (5.28302e-05% change) linmin: converged after 4 iterations. iteration 328: trace = 2.451924386804797 (5.73673e-05% change) linmin: converged after 3 iterations. iteration 329: trace = 2.451922993346532 (5.68312e-05% change) linmin: converged after 4 iterations. iteration 330: trace = 2.451921069340289 (7.84693e-05% change) linmin: converged after 3 iterations. iteration 331: trace = 2.451918495340491 (0.000104979% change) linmin: converged after 3 iterations. iteration 332: trace = 2.451917611962545 (3.6028e-05% change) large trace change predicted (9.67494e-05%) linmin: converged after 3 iterations. iteration 333: trace = 2.451915239937596 (9.67417e-05% change) linmin: converged after 7 iterations. iteration 334: trace = 2.451914264872701 (3.97675e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.451913114917563 (4.69003e-05% change) linmin: converged after 4 iterations. iteration 336: trace = 2.451911892528864 (4.98545e-05% change) linmin: converged after 3 iterations. iteration 337: trace = 2.451911121514247 (3.14455e-05% change) linmin: converged after 4 iterations. iteration 338: trace = 2.451910440461843 (2.77764e-05% change) linmin: converged after 18 iterations. iteration 339: trace = 2.451909413734949 (4.18746e-05% change) linmin: converged after 8 iterations. iteration 340: trace = 2.451909198007312 (8.79835e-06% change) large trace change predicted (2.18808e-05%) linmin: converged after 3 iterations. iteration 341: trace = 2.451908661399456 (2.18853e-05% change) linmin: converged after 5 iterations. iteration 342: trace = 2.451907853174074 (3.29631e-05% change) linmin: converged after 4 iterations. iteration 343: trace = 2.451907641293393 (8.64146e-06% change) large trace change predicted (2.56596e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.451907012099088 (2.56614e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.451906446585409 (2.30642e-05% change) linmin: converged after 4 iterations. iteration 346: trace = 2.45190615307573 (1.19707e-05% change) large trace change predicted (5.65781e-05%) linmin: converged after 4 iterations. iteration 347: trace = 2.451904765395973 (5.6596e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.451903258390157 (6.14627e-05% change) linmin: converged after 3 iterations. iteration 349: trace = 2.451902302053553 (3.90039e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.451901444021173 (3.49946e-05% change) linmin: converged after 3 iterations. iteration 351: trace = 2.451900268699934 (4.79351e-05% change) linmin: converged after 3 iterations. iteration 352: trace = 2.451899284761674 (4.01296e-05% change) linmin: converged after 2 iterations. iteration 353: trace = 2.451898802067656 (1.96865e-05% change) linmin: converged after 3 iterations. iteration 354: trace = 2.451898177608482 (2.54684e-05% change) linmin: converged after 2 iterations. iteration 355: trace = 2.45189768562931 (2.00652e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.45189745358336 (9.46393e-06% change) large trace change predicted (2.18607e-05%) linmin: converged after 3 iterations. iteration 357: trace = 2.451896917539232 (2.18624e-05% change) linmin: converged after 4 iterations. iteration 358: trace = 2.451896216910838 (2.8575e-05% change) linmin: converged after 4 iterations. iteration 359: trace = 2.451896071765771 (5.91971e-06% change) large trace change predicted (2.86503e-05%) linmin: converged after 3 iterations. iteration 360: trace = 2.45189536910911 (2.86577e-05% change) linmin: converged after 4 iterations. iteration 361: trace = 2.451894829568567 (2.2005e-05% change) linmin: converged after 4 iterations. iteration 362: trace = 2.451894548518837 (1.14626e-05% change) large trace change predicted (3.82963e-05%) linmin: converged after 3 iterations. iteration 363: trace = 2.451893609166292 (3.83113e-05% change) linmin: converged after 3 iterations. iteration 364: trace = 2.451892360793373 (5.09147e-05% change) linmin: converged after 3 iterations. iteration 365: trace = 2.451891978130545 (1.56068e-05% change) large trace change predicted (5.50288e-05%) linmin: converged after 3 iterations. iteration 366: trace = 2.451890628136772 (5.50593e-05% change) linmin: converged after 3 iterations. iteration 367: trace = 2.451889379817075 (5.09125e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.451888895783192 (1.97413e-05% change) large trace change predicted (7.53296e-05%) linmin: converged after 3 iterations. iteration 369: trace = 2.451887047454882 (7.53839e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.451885659953243 (5.65891e-05% change) linmin: converged after 3 iterations. iteration 371: trace = 2.451885088224141 (2.33179e-05% change) large trace change predicted (5.25593e-05%) linmin: converged after 3 iterations. iteration 372: trace = 2.451883799252872 (5.25706e-05% change) linmin: converged after 3 iterations. iteration 373: trace = 2.451882959846034 (3.42352e-05% change) linmin: converged after 2 iterations. iteration 374: trace = 2.451882637851984 (1.31325e-05% change) large trace change predicted (2.6608e-05%) linmin: converged after 4 iterations. iteration 375: trace = 2.451881985403601 (2.66101e-05% change) linmin: converged after 4 iterations. iteration 376: trace = 2.451881666409702 (1.30102e-05% change) linmin: converged after 3 iterations. iteration 377: trace = 2.451881424707288 (9.85783e-06% change) large trace change predicted (2.79728e-05%) linmin: converged after 3 iterations. iteration 378: trace = 2.451880738799101 (2.79748e-05% change) linmin: converged after 4 iterations. iteration 379: trace = 2.451880312770379 (1.73756e-05% change) linmin: converged after 2 iterations. iteration 380: trace = 2.451879974325696 (1.38035e-05% change) large trace change predicted (3.59867e-05%) linmin: converged after 4 iterations. iteration 381: trace = 2.451879091948053 (3.59878e-05% change) linmin: converged after 3 iterations. iteration 382: trace = 2.451878586924512 (2.05974e-05% change) linmin: converged after 3 iterations. iteration 383: trace = 2.451877877061793 (2.89518e-05% change) linmin: converged after 3 iterations. iteration 384: trace = 2.451876608742854 (5.17285e-05% change) linmin: converged after 11 iterations. iteration 385: trace = 2.451875767688587 (3.43025e-05% change) linmin: converged after 3 iterations. iteration 386: trace = 2.451874978478529 (3.2188e-05% change) large trace change predicted (6.86527e-05%) linmin: converged after 4 iterations. iteration 387: trace = 2.451873296589411 (6.85961e-05% change) linmin: converged after 4 iterations. iteration 388: trace = 2.451871469758743 (7.45076e-05% change) linmin: converged after 4 iterations. iteration 389: trace = 2.451870287619347 (4.82138e-05% change) linmin: converged after 4 iterations. iteration 390: trace = 2.451868320179222 (8.02425e-05% change) linmin: converged after 3 iterations. iteration 391: trace = 2.451867693154867 (2.55733e-05% change) linmin: converged after 3 iterations. iteration 392: trace = 2.451866887621613 (3.28539e-05% change) linmin: converged after 8 iterations. iteration 393: trace = 2.451865955401389 (3.80208e-05% change) linmin: converged after 4 iterations. iteration 394: trace = 2.451865719980986 (9.60168e-06% change) large trace change predicted (1.96496e-05%) linmin: converged after 13 iterations. iteration 395: trace = 2.451865238246529 (1.96477e-05% change) linmin: converged after 4 iterations. iteration 396: trace = 2.451864655613975 (2.37628e-05% change) linmin: converged after 5 iterations. iteration 397: trace = 2.4518644474754 (8.48899e-06% change) large trace change predicted (1.99883e-05%) linmin: converged after 3 iterations. iteration 398: trace = 2.451863957428071 (1.99867e-05% change) linmin: converged after 3 iterations. iteration 399: trace = 2.451863487062912 (1.9184e-05% change) linmin: converged after 4 iterations. iteration 400: trace = 2.451863223688848 (1.07418e-05% change) linmin: converged after 3 iterations. iteration 401: trace = 2.451862707241005 (2.10635e-05% change) large trace change predicted (4.31309e-05%) linmin: converged after 3 iterations. iteration 402: trace = 2.451861649539083 (4.31387e-05% change) linmin: converged after 5 iterations. iteration 403: trace = 2.451861281443321 (1.50129e-05% change) large trace change predicted (4.96566e-05%) linmin: converged after 3 iterations. iteration 404: trace = 2.451860063359621 (4.968e-05% change) linmin: converged after 3 iterations. iteration 405: trace = 2.451858706397193 (5.53442e-05% change) linmin: converged after 4 iterations. iteration 406: trace = 2.451858184270854 (2.12951e-05% change) large trace change predicted (7.72358e-05%) linmin: converged after 5 iterations. iteration 407: trace = 2.451856289454036 (7.72809e-05% change) linmin: converged after 3 iterations. iteration 408: trace = 2.451854717228413 (6.41239e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.451854037873246 (2.77078e-05% change) linmin: converged after 3 iterations. iteration 410: trace = 2.451852767897514 (5.17966e-05% change) linmin: converged after 3 iterations. iteration 411: trace = 2.451851776527858 (4.04335e-05% change) linmin: converged after 3 iterations. iteration 412: trace = 2.451851360826138 (1.69546e-05% change) large trace change predicted (4.12842e-05%) linmin: converged after 3 iterations. iteration 413: trace = 2.451850348447989 (4.12904e-05% change) linmin: converged after 4 iterations. iteration 414: trace = 2.451849942354363 (1.65627e-05% change) linmin: converged after 3 iterations. iteration 415: trace = 2.451849601948214 (1.38836e-05% change) linmin: converged after 3 iterations. iteration 416: trace = 2.45184923699037 (1.4885e-05% change) linmin: converged after 3 iterations. iteration 417: trace = 2.4518487558609 (1.96231e-05% change) linmin: converged after 2 iterations. iteration 418: trace = 2.451848412291829 (1.40127e-05% change) large trace change predicted (0.00028451%) linmin: converged after 4 iterations. iteration 419: trace = 2.451841436317626 (0.000284519% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.451838601804798 (0.000115608% change) linmin: converged after 4 iterations. iteration 421: trace = 2.451836909973618 (6.90026e-05% change) linmin: converged after 4 iterations. iteration 422: trace = 2.451835802033676 (4.51882e-05% change) linmin: converged after 5 iterations. iteration 423: trace = 2.451835562032835 (9.78862e-06% change) linmin: converged after 2 iterations. iteration 424: trace = 2.451835215370466 (1.41389e-05% change) linmin: converged after 3 iterations. iteration 425: trace = 2.451834742223461 (1.92977e-05% change) linmin: converged after 2 iterations. iteration 426: trace = 2.451834622123581 (4.89837e-06% change) large trace change predicted (1.53283e-05%) linmin: converged after 5 iterations. iteration 427: trace = 2.451834246408475 (1.53238e-05% change) linmin: converged after 4 iterations. iteration 428: trace = 2.451833755519586 (2.00213e-05% change) linmin: converged after 3 iterations. iteration 429: trace = 2.451833441577055 (1.28044e-05% change) linmin: converged after 4 iterations. iteration 430: trace = 2.451832871304814 (2.3259e-05% change) linmin: converged after 3 iterations. iteration 431: trace = 2.451832128766152 (3.0285e-05% change) linmin: converged after 4 iterations. iteration 432: trace = 2.451831696871643 (1.76152e-05% change) large trace change predicted (4.8364e-05%) linmin: converged after 4 iterations. iteration 433: trace = 2.451830511790898 (4.83345e-05% change) linmin: converged after 3 iterations. iteration 434: trace = 2.451830084932789 (1.74098e-05% change) linmin: converged after 5 iterations. iteration 435: trace = 2.451829718368761 (1.49506e-05% change) large trace change predicted (3.22146e-05%) linmin: converged after 3 iterations. iteration 436: trace = 2.451828928830973 (3.2202e-05% change) linmin: converged after 4 iterations. iteration 437: trace = 2.451828555280068 (1.52356e-05% change) linmin: converged after 4 iterations. iteration 438: trace = 2.451828125337213 (1.75356e-05% change) linmin: converged after 5 iterations. iteration 439: trace = 2.451827555368756 (2.32467e-05% change) linmin: converged after 5 iterations. iteration 440: trace = 2.451827131496278 (1.7288e-05% change) linmin: converged after 4 iterations. iteration 441: trace = 2.451826837456072 (1.19927e-05% change) linmin: converged after 4 iterations. iteration 442: trace = 2.451826425024183 (1.68214e-05% change) linmin: converged after 2 iterations. iteration 443: trace = 2.451826327980715 (3.95801e-06% change) large trace change predicted (9.15843e-06%) linmin: converged after 2 iterations. iteration 444: trace = 2.451826103428814 (9.15856e-06% change) linmin: converged after 2 iterations. iteration 445: trace = 2.451825844898365 (1.05444e-05% change) linmin: converged after 3 iterations. iteration 446: trace = 2.451825711670842 (5.43381e-06% change) linmin: converged after 4 iterations. iteration 447: trace = 2.451825476833464 (9.57806e-06% change) linmin: converged after 6 iterations. iteration 448: trace = 2.45182523625104 (9.81238e-06% change) linmin: converged after 2 iterations. iteration 449: trace = 2.451825117673762 (4.83629e-06% change) large trace change predicted (1.42353e-05%) linmin: converged after 3 iterations. iteration 450: trace = 2.451824768562432 (1.42388e-05% change) large trace change predicted (2.8499e-05%) linmin: converged after 3 iterations. iteration 451: trace = 2.451824069375237 (2.8517e-05% change) linmin: converged after 2 iterations. iteration 452: trace = 2.451823856700439 (8.67415e-06% change) large trace change predicted (3.26671e-05%) linmin: converged after 4 iterations. iteration 453: trace = 2.451823055413986 (3.26812e-05% change) linmin: converged after 3 iterations. iteration 454: trace = 2.451822534632694 (2.12406e-05% change) linmin: converged after 4 iterations. iteration 455: trace = 2.451822278183291 (1.04595e-05% change) linmin: converged after 3 iterations. iteration 456: trace = 2.451821801070401 (1.94595e-05% change) linmin: converged after 3 iterations. iteration 457: trace = 2.451820979456362 (3.35104e-05% change) linmin: converged after 2 iterations. iteration 458: trace = 2.451820789967071 (7.72851e-06% change) large trace change predicted (1.9624e-05%) linmin: converged after 5 iterations. iteration 459: trace = 2.451820308753132 (1.96268e-05% change) linmin: converged after 4 iterations. iteration 460: trace = 2.451819974130427 (1.36479e-05% change) linmin: converged after 3 iterations. iteration 461: trace = 2.451819876449114 (3.98403e-06% change) large trace change predicted (9.35897e-06%) linmin: converged after 3 iterations. iteration 462: trace = 2.451819646985611 (9.35891e-06% change) linmin: converged after 6 iterations. iteration 463: trace = 2.451819501494014 (5.93403e-06% change) linmin: converged after 4 iterations. iteration 464: trace = 2.451819453452388 (1.95943e-06% change) large trace change predicted (7.48994e-06%) linmin: converged after 3 iterations. iteration 465: trace = 2.451819269819177 (7.48967e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.451819114108615 (6.35082e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.451819017209697 (3.95212e-06% change) linmin: converged after 5 iterations. iteration 468: trace = 2.451818837296233 (7.33796e-06% change) linmin: converged after 3 iterations. iteration 469: trace = 2.451818602208911 (9.58828e-06% change) linmin: converged after 2 iterations. iteration 470: trace = 2.451818356080005 (1.00386e-05% change) large trace change predicted (2.7634e-05%) linmin: converged after 3 iterations. iteration 471: trace = 2.451817678667935 (2.7629e-05% change) linmin: converged after 3 iterations. iteration 472: trace = 2.451817380165583 (1.21747e-05% change) linmin: converged after 4 iterations. iteration 473: trace = 2.451816898342992 (1.96517e-05% change) linmin: converged after 4 iterations. iteration 474: trace = 2.451816485475382 (1.68393e-05% change) linmin: converged after 3 iterations. iteration 475: trace = 2.4518162779371 (8.46467e-06% change) linmin: converged after 3 iterations. iteration 476: trace = 2.451816045785287 (9.46857e-06% change) linmin: converged after 11 iterations. iteration 477: trace = 2.451815700665402 (1.40761e-05% change) linmin: converged after 2 iterations. iteration 478: trace = 2.451815534090509 (6.79394e-06% change) linmin: converged after 4 iterations. iteration 479: trace = 2.451815426527374 (4.38708e-06% change) large trace change predicted (9.40697e-06%) linmin: converged after 3 iterations. iteration 480: trace = 2.451815195888033 (9.40688e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.451815151679409 (1.8031e-06% change) large trace change predicted (6.46819e-06%) linmin: converged after 3 iterations. iteration 482: trace = 2.451814993092279 (6.46815e-06% change) linmin: converged after 4 iterations. iteration 483: trace = 2.451814898769976 (3.84704e-06% change) linmin: converged after 3 iterations. iteration 484: trace = 2.451814821722924 (3.14245e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.451814729426451 (3.76441e-06% change) large trace change predicted (7.80835e-06%) linmin: converged after 2 iterations. iteration 486: trace = 2.451814537975693 (7.80853e-06% change) linmin: converged after 4 iterations. iteration 487: trace = 2.451814474613091 (2.58431e-06% change) large trace change predicted (8.30426e-06%) linmin: converged after 2 iterations. iteration 488: trace = 2.451814271007475 (8.30428e-06% change) linmin: converged after 2 iterations. iteration 489: trace = 2.451814039280148 (9.45126e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.45181397042017 (2.80853e-06% change) large trace change predicted (6.5636e-06%) linmin: converged after 3 iterations. iteration 491: trace = 2.451813809493573 (6.56357e-06% change) linmin: converged after 2 iterations. iteration 492: trace = 2.451813652401437 (6.40718e-06% change) linmin: converged after 2 iterations. iteration 493: trace = 2.451813593204902 (2.4144e-06% change) large trace change predicted (7.02741e-06%) linmin: converged after 2 iterations. iteration 494: trace = 2.451813420904794 (7.02746e-06% change) linmin: converged after 2 iterations. iteration 495: trace = 2.451813311925445 (4.44485e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.451813268333645 (1.77794e-06% change) large trace change predicted (4.48681e-06%) linmin: converged after 10 iterations. iteration 497: trace = 2.45181315832615 (4.48678e-06% change) linmin: converged after 6 iterations. iteration 498: trace = 2.451813072051939 (3.51879e-06% change) linmin: converged after 4 iterations. iteration 499: trace = 2.451812990208225 (3.33809e-06% change) linmin: converged after 3 iterations. iteration 500: trace = 2.451812851103136 (5.67356e-06% change) linmin: converged after 4 iterations. iteration 501: trace = 2.451812701797941 (6.08958e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.451812642402236 (2.42252e-06% change) large trace change predicted (1.08472e-05%) linmin: converged after 3 iterations. iteration 503: trace = 2.451812376423422 (1.08483e-05% change) linmin: converged after 3 iterations. iteration 504: trace = 2.45181219671429 (7.32964e-06% change) linmin: converged after 3 iterations. iteration 505: trace = 2.451812031888245 (6.72262e-06% change) large trace change predicted (1.47998e-05%) linmin: converged after 4 iterations. iteration 506: trace = 2.451811668983072 (1.48015e-05% change) linmin: converged after 3 iterations. iteration 507: trace = 2.451811535793213 (5.4323e-06% change) linmin: converged after 6 iterations. iteration 508: trace = 2.451811302711546 (9.50651e-06% change) large trace change predicted (2.01283e-05%) linmin: converged after 3 iterations. iteration 509: trace = 2.451810809150256 (2.01305e-05% change) linmin: converged after 3 iterations. iteration 510: trace = 2.451810555415283 (1.03489e-05% change) linmin: converged after 4 iterations. iteration 511: trace = 2.451810455292982 (4.08361e-06% change) large trace change predicted (1.04831e-05%) linmin: converged after 3 iterations. iteration 512: trace = 2.451810198235681 (1.04844e-05% change) linmin: converged after 2 iterations. iteration 513: trace = 2.451810123605975 (3.04386e-06% change) large trace change predicted (6.34359e-06%) linmin: converged after 3 iterations. iteration 514: trace = 2.451809968056701 (6.34426e-06% change) linmin: converged after 23 iterations. iteration 515: trace = 2.451809878185027 (3.66552e-06% change) linmin: converged after 2 iterations. iteration 516: trace = 2.45180979173746 (3.52587e-06% change) linmin: converged after 2 iterations. iteration 517: trace = 2.451809703055815 (3.61699e-06% change) linmin: converged after 3 iterations. iteration 518: trace = 2.451809546049716 (6.40368e-06% change) linmin: converged after 3 iterations. iteration 519: trace = 2.45180944165795 (4.25774e-06% change) linmin: converged after 8 iterations. iteration 520: trace = 2.451809368212193 (2.99557e-06% change) large trace change predicted (8.31118e-06%) linmin: converged after 4 iterations. iteration 521: trace = 2.451809164454754 (8.31049e-06% change) linmin: converged after 5 iterations. iteration 522: trace = 2.451808943771632 (9.00083e-06% change) linmin: converged after 2 iterations. iteration 523: trace = 2.451808847262238 (3.93625e-06% change) large trace change predicted (8.65338e-06%) linmin: converged after 13 iterations. iteration 524: trace = 2.451808635094025 (8.65354e-06% change) linmin: converged after 5 iterations. iteration 525: trace = 2.451808373553239 (1.06673e-05% change) linmin: converged after 3 iterations. iteration 526: trace = 2.451808269918728 (4.22686e-06% change) large trace change predicted (2.52299e-05%) linmin: converged after 3 iterations. iteration 527: trace = 2.451807651595333 (2.52191e-05% change) linmin: converged after 5 iterations. iteration 528: trace = 2.451807165020936 (1.98455e-05% change) linmin: converged after 3 iterations. iteration 529: trace = 2.451807010632332 (6.29693e-06% change) linmin: converged after 3 iterations. iteration 530: trace = 2.451806790750918 (8.96814e-06% change) linmin: converged after 3 iterations. iteration 531: trace = 2.451806587138382 (8.30459e-06% change) linmin: converged after 3 iterations. iteration 532: trace = 2.451806541745118 (1.85142e-06% change) large trace change predicted (7.01143e-06%) linmin: converged after 8 iterations. iteration 533: trace = 2.451806369845106 (7.01116e-06% change) linmin: converged after 3 iterations. iteration 534: trace = 2.451806295741114 (3.02242e-06% change) linmin: converged after 7 iterations. iteration 535: trace = 2.451806242803898 (2.15911e-06% change) large trace change predicted (5.33882e-06%) linmin: converged after 4 iterations. iteration 536: trace = 2.451806111903806 (5.33892e-06% change) linmin: converged after 2 iterations. iteration 537: trace = 2.451806065983852 (1.8729e-06% change) large trace change predicted (4.69983e-06%) linmin: converged after 2 iterations. iteration 538: trace = 2.451805950750366 (4.69994e-06% change) linmin: converged after 3 iterations. iteration 539: trace = 2.451805840143377 (4.51125e-06% change) linmin: converged after 3 iterations. iteration 540: trace = 2.451805694770904 (5.9292e-06% change) linmin: converged after 3 iterations. iteration 541: trace = 2.45180551485643 (7.33804e-06% change) linmin: converged after 3 iterations. iteration 542: trace = 2.45180519789092 (1.29278e-05% change) linmin: converged after 5 iterations. iteration 543: trace = 2.451805085639186 (4.57833e-06% change) large trace change predicted (1.22654e-05%) linmin: converged after 3 iterations. iteration 544: trace = 2.451804784802842 (1.227e-05% change) linmin: converged after 4 iterations. iteration 545: trace = 2.45180449718559 (1.17308e-05% change) linmin: converged after 4 iterations. iteration 546: trace = 2.451804345794657 (6.17467e-06% change) linmin: converged after 4 iterations. iteration 547: trace = 2.451804065164666 (1.14459e-05% change) linmin: converged after 3 iterations. iteration 548: trace = 2.451803697266883 (1.50052e-05% change) linmin: converged after 4 iterations. iteration 549: trace = 2.451803507750984 (7.72965e-06% change) linmin: converged after 4 iterations. iteration 550: trace = 2.451803423903701 (3.41982e-06% change) large trace change predicted (9.1367e-06%) linmin: converged after 4 iterations. iteration 551: trace = 2.451803199855364 (9.1381e-06% change) linmin: converged after 14 iterations. iteration 552: trace = 2.451803155076162 (1.82638e-06% change) large trace change predicted (4.78125e-06%) linmin: converged after 2 iterations. iteration 553: trace = 2.451803037843257 (4.7815e-06% change) linmin: converged after 3 iterations. iteration 554: trace = 2.451802941600485 (3.92539e-06% change) linmin: converged after 3 iterations. iteration 555: trace = 2.451802840511119 (4.12306e-06% change) linmin: converged after 5 iterations. iteration 556: trace = 2.451802762045059 (3.20034e-06% change) large trace change predicted (1.34886e-05%) linmin: converged after 2 iterations. iteration 557: trace = 2.451802431305149 (1.34897e-05% change) linmin: converged after 4 iterations. iteration 558: trace = 2.451802333627822 (3.9839e-06% change) large trace change predicted (2.98762e-05%) linmin: converged after 4 iterations. iteration 559: trace = 2.451801601086465 (2.98777e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.451801153491394 (1.82558e-05% change) linmin: converged after 4 iterations. iteration 561: trace = 2.45180108374121 (2.84485e-06% change) large trace change predicted (1.01516e-05%) linmin: converged after 4 iterations. iteration 562: trace = 2.451800834854224 (1.01512e-05% change) linmin: converged after 3 iterations. iteration 563: trace = 2.451800745417124 (3.64781e-06% change) linmin: converged after 3 iterations. iteration 564: trace = 2.451800646513976 (4.0339e-06% change) linmin: converged after 3 iterations. iteration 565: trace = 2.451800512467677 (5.46726e-06% change) linmin: converged after 2 iterations. iteration 566: trace = 2.451800411762568 (4.10739e-06% change) linmin: converged after 4 iterations. iteration 567: trace = 2.451800347132134 (2.63604e-06% change) large trace change predicted (8.23316e-06%) linmin: converged after 4 iterations. iteration 568: trace = 2.451800145289141 (8.23244e-06% change) linmin: converged after 3 iterations. iteration 569: trace = 2.451800106853036 (1.56767e-06% change) large trace change predicted (5.14584e-06%) linmin: converged after 3 iterations. iteration 570: trace = 2.451799980693867 (5.14557e-06% change) linmin: converged after 4 iterations. iteration 571: trace = 2.451799882626001 (3.99983e-06% change) linmin: converged after 5 iterations. iteration 572: trace = 2.451799828486288 (2.20816e-06% change) linmin: converged after 3 iterations. iteration 573: trace = 2.451799727720482 (4.10987e-06% change) linmin: converged after 7 iterations. iteration 574: trace = 2.451799594202265 (5.44572e-06% change) linmin: converged after 16 iterations. iteration 575: trace = 2.451799496038755 (4.00373e-06% change) linmin: converged after 3 iterations. iteration 576: trace = 2.451799318106548 (7.25721e-06% change) linmin: converged after 4 iterations. iteration 577: trace = 2.451799026272029 (1.19029e-05% change) linmin: converged after 2 iterations. iteration 578: trace = 2.451798953869357 (2.95304e-06% change) large trace change predicted (8.88296e-06%) linmin: converged after 4 iterations. iteration 579: trace = 2.451798736137125 (8.88051e-06% change) linmin: converged after 3 iterations. iteration 580: trace = 2.451798579490022 (6.38907e-06% change) linmin: converged after 3 iterations. iteration 581: trace = 2.451798522258595 (2.33426e-06% change) linmin: converged after 7 iterations. iteration 582: trace = 2.451798446005962 (3.11007e-06% change) linmin: converged after 3 iterations. iteration 583: trace = 2.451798380702826 (2.66348e-06% change) linmin: converged after 10 iterations. iteration 584: trace = 2.451798361601048 (7.79093e-07% change) large trace change predicted (1.6686e-06%) linmin: converged after 12 iterations. iteration 585: trace = 2.451798320687891 (1.6687e-06% change) linmin: converged after 29 iterations. iteration 586: trace = 2.451798269075065 (2.1051e-06% change) linmin: converged after 4 iterations. iteration 587: trace = 2.451798249597147 (7.94434e-07% change) large trace change predicted (2.10791e-06%) linmin: converged after 2 iterations. iteration 588: trace = 2.451798197910782 (2.1081e-06% change) linmin: converged after 3 iterations. iteration 589: trace = 2.451798103202622 (3.8628e-06% change) linmin: converged after 23 iterations. iteration 590: trace = 2.45179806636828 (1.50234e-06% change) large trace change predicted (6.38346e-06%) linmin: converged after 5 iterations. iteration 591: trace = 2.451797909799967 (6.38586e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.451797700825857 (8.5233e-06% change) linmin: converged after 3 iterations. iteration 593: trace = 2.451797650701557 (2.04439e-06% change) large trace change predicted (7.16465e-06%) linmin: converged after 3 iterations. iteration 594: trace = 2.451797474999589 (7.16625e-06% change) linmin: converged after 4 iterations. iteration 595: trace = 2.45179736829139 (4.35224e-06% change) linmin: converged after 2 iterations. iteration 596: trace = 2.451797306593138 (2.51645e-06% change) large trace change predicted (6.90777e-06%) linmin: converged after 5 iterations. iteration 597: trace = 2.451797137200148 (6.90893e-06% change) linmin: converged after 3 iterations. iteration 598: trace = 2.451797018091173 (4.85803e-06% change) linmin: converged after 3 iterations. iteration 599: trace = 2.451796981007111 (1.51253e-06% change) linmin: converged after 3 iterations. iteration 600: trace = 2.451796914839586 (2.69874e-06% change) linmin: converged after 2 iterations. iteration 601: trace = 2.451796860366236 (2.22177e-06% change) linmin: converged after 16 iterations. iteration 602: trace = 2.45179683762685 (9.27458e-07% change) linmin: converged after 4 iterations. iteration 603: trace = 2.451796807430568 (1.2316e-06% change) linmin: converged after 5 iterations. iteration 604: trace = 2.451796775770115 (1.29132e-06% change) linmin: converged after 6 iterations. iteration 605: trace = 2.451796761812919 (5.69264e-07% change) large trace change predicted (2.80158e-06%) linmin: converged after 3 iterations. iteration 606: trace = 2.451796693126069 (2.80149e-06% change) linmin: converged after 4 iterations. iteration 607: trace = 2.451796637646316 (2.26282e-06% change) linmin: converged after 3 iterations. iteration 608: trace = 2.451796589005789 (1.98387e-06% change) linmin: converged after 17 iterations. iteration 609: trace = 2.45179650894177 (3.26552e-06% change) linmin: converged after 3 iterations. iteration 610: trace = 2.451796416142364 (3.78496e-06% change) linmin: converged after 5 iterations. iteration 611: trace = 2.451796380774903 (1.44251e-06% change) large trace change predicted (3.91269e-06%) linmin: converged after 6 iterations. iteration 612: trace = 2.451796284848199 (3.91251e-06% change) linmin: converged after 17 iterations. iteration 613: trace = 2.451796197580161 (3.55935e-06% change) linmin: converged after 3 iterations. iteration 614: trace = 2.451796159506312 (1.5529e-06% change) large trace change predicted (4.1946e-06%) linmin: converged after 2 iterations. iteration 615: trace = 2.451796056662793 (4.19462e-06% change) linmin: converged after 3 iterations. iteration 616: trace = 2.451796008460974 (1.96598e-06% change) linmin: converged after 4 iterations. iteration 617: trace = 2.451795934751596 (3.00634e-06% change) linmin: converged after 3 iterations. iteration 618: trace = 2.451795871899575 (2.56351e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.451795799550017 (2.95088e-06% change) linmin: converged after 4 iterations. iteration 620: trace = 2.451795778367173 (8.63973e-07% change) large trace change predicted (2.31433e-06%) linmin: converged after 3 iterations. iteration 621: trace = 2.45179572162593 (2.31427e-06% change) linmin: converged after 18 iterations. iteration 622: trace = 2.451795708207833 (5.47276e-07% change) linmin: converged after 2 iterations. iteration 623: trace = 2.451795690512415 (7.21733e-07% change) linmin: converged after 2 iterations. iteration 624: trace = 2.451795663740037 (1.09195e-06% change) linmin: converged after 2 iterations. iteration 625: trace = 2.451795636314248 (1.1186e-06% change) linmin: converged after 3 iterations. iteration 626: trace = 2.451795612065196 (9.89032e-07% change) linmin: converged after 4 iterations. iteration 627: trace = 2.451795578668878 (1.36212e-06% change) linmin: converged after 6 iterations. iteration 628: trace = 2.451795549344755 (1.19603e-06% change) linmin: converged after 3 iterations. iteration 629: trace = 2.45179552683532 (9.1808e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.45179550633759 (8.36029e-07% change) linmin: converged after 3 iterations. iteration 631: trace = 2.451795483086964 (9.4831e-07% change) linmin: converged after 2 iterations. iteration 632: trace = 2.451795454197489 (1.1783e-06% change) linmin: converged after 4 iterations. iteration 633: trace = 2.451795436678621 (7.14532e-07% change) linmin: converged after 2 iterations. iteration 634: trace = 2.451795407830215 (1.17662e-06% change) linmin: converged after 2 iterations. iteration 635: trace = 2.451795381449867 (1.07596e-06% change) linmin: converged after 3 iterations. iteration 636: trace = 2.45179537268668 (3.57419e-07% change) large trace change predicted (9.79051e-07%) linmin: converged after 2 iterations. iteration 637: trace = 2.45179534868218 (9.79058e-07% change) linmin: converged after 3 iterations. iteration 638: trace = 2.451795308279801 (1.64787e-06% change) linmin: converged after 20 iterations. iteration 639: trace = 2.451795293393064 (6.07177e-07% change) large trace change predicted (2.127e-06%) linmin: converged after 4 iterations. iteration 640: trace = 2.451795241240033 (2.12714e-06% change) linmin: converged after 4 iterations. iteration 641: trace = 2.451795195211573 (1.87734e-06% change) linmin: converged after 4 iterations. iteration 642: trace = 2.451795176314502 (7.70744e-07% change) large trace change predicted (2.72894e-06%) linmin: converged after 3 iterations. iteration 643: trace = 2.451795109405027 (2.729e-06% change) linmin: converged after 2 iterations. iteration 644: trace = 2.451795045225142 (2.61767e-06% change) linmin: converged after 3 iterations. iteration 645: trace = 2.451795018719291 (1.08108e-06% change) large trace change predicted (3.91316e-06%) linmin: converged after 3 iterations. iteration 646: trace = 2.451794922770125 (3.91343e-06% change) linmin: converged after 3 iterations. iteration 647: trace = 2.451794862899225 (2.44192e-06% change) linmin: converged after 5 iterations. iteration 648: trace = 2.451794837946719 (1.01772e-06% change) large trace change predicted (3.91294e-06%) linmin: converged after 19 iterations. iteration 649: trace = 2.451794742003182 (3.9132e-06% change) linmin: converged after 2 iterations. iteration 650: trace = 2.451794686975485 (2.24438e-06% change) linmin: converged after 10 iterations. iteration 651: trace = 2.451794667568173 (7.91555e-07% change) large trace change predicted (2.73197e-06%) linmin: converged after 2 iterations. iteration 652: trace = 2.451794600583064 (2.73208e-06% change) linmin: converged after 2 iterations. iteration 653: trace = 2.451794557844939 (1.74314e-06% change) linmin: converged after 4 iterations. iteration 654: trace = 2.451794543115632 (6.00756e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.451794522327706 (8.47866e-07% change) linmin: converged after 5 iterations. iteration 656: trace = 2.451794492486638 (1.21711e-06% change) linmin: converged after 3 iterations. iteration 657: trace = 2.451794485169604 (2.98436e-07% change) large trace change predicted (1.75868e-06%) linmin: converged after 2 iterations. iteration 658: trace = 2.451794442048696 (1.75875e-06% change) linmin: converged after 7 iterations. iteration 659: trace = 2.451794407418552 (1.41244e-06% change) linmin: converged after 2 iterations. iteration 660: trace = 2.451794383113304 (9.91325e-07% change) large trace change predicted (2.37022e-06%) linmin: converged after 3 iterations. iteration 661: trace = 2.451794325004935 (2.37003e-06% change) linmin: converged after 4 iterations. iteration 662: trace = 2.451794254543248 (2.87388e-06% change) linmin: converged after 17 iterations. iteration 663: trace = 2.451794216688021 (1.54398e-06% change) linmin: converged after 25 iterations. iteration 664: trace = 2.451794164297232 (2.13683e-06% change) linmin: converged after 3 iterations. iteration 665: trace = 2.451794063633481 (4.10572e-06% change) linmin: converged after 4 iterations. iteration 666: trace = 2.451793942038218 (4.95944e-06% change) linmin: converged after 5 iterations. iteration 667: trace = 2.451793909579729 (1.32387e-06% change) large trace change predicted (4.14426e-06%) linmin: converged after 3 iterations. iteration 668: trace = 2.451793807989577 (4.1435e-06% change) linmin: converged after 3 iterations. iteration 669: trace = 2.451793769166152 (1.58347e-06% change) linmin: converged after 3 iterations. iteration 670: trace = 2.451793738676322 (1.24357e-06% change) linmin: converged after 3 iterations. iteration 671: trace = 2.451793697207118 (1.69138e-06% change) linmin: converged after 4 iterations. iteration 672: trace = 2.451793685346335 (4.83759e-07% change) large trace change predicted (1.00259e-06%) linmin: converged after 2 iterations. iteration 673: trace = 2.451793660764926 (1.00259e-06% change) linmin: converged after 7 iterations. iteration 674: trace = 2.45179364255815 (7.4259e-07% change) linmin: converged after 19 iterations. iteration 675: trace = 2.451793634650099 (3.22541e-07% change) large trace change predicted (1.26364e-06%) linmin: converged after 23 iterations. iteration 676: trace = 2.451793603667983 (1.26365e-06% change) linmin: converged after 3 iterations. iteration 677: trace = 2.451793553949058 (2.02786e-06% change) linmin: converged after 5 iterations. iteration 678: trace = 2.451793533992017 (8.13977e-07% change) linmin: converged after 11 iterations. iteration 679: trace = 2.451793496294306 (1.53756e-06% change) large trace change predicted (4.19031e-06%) linmin: converged after 4 iterations. iteration 680: trace = 2.451793393536344 (4.19113e-06% change) linmin: converged after 3 iterations. iteration 681: trace = 2.45179336580716 (1.13098e-06% change) large trace change predicted (4.21856e-06%) linmin: converged after 4 iterations. iteration 682: trace = 2.451793262353742 (4.2195e-06% change) linmin: converged after 4 iterations. iteration 683: trace = 2.451793181731778 (3.28829e-06% change) linmin: converged after 4 iterations. iteration 684: trace = 2.451793157187403 (1.00108e-06% change) large trace change predicted (2.22357e-06%) linmin: converged after 3 iterations. iteration 685: trace = 2.451793102666251 (2.22373e-06% change) linmin: converged after 4 iterations. iteration 686: trace = 2.451793049653916 (2.16219e-06% change) linmin: converged after 2 iterations. iteration 687: trace = 2.451793025429164 (9.88042e-07% change) linmin: converged after 3 iterations. iteration 688: trace = 2.4517929878891 (1.53113e-06% change) linmin: converged after 2 iterations. iteration 689: trace = 2.451792940549093 (1.93083e-06% change) linmin: converged after 6 iterations. iteration 690: trace = 2.451792915883914 (1.00601e-06% change) linmin: converged after 19 iterations. iteration 691: trace = 2.451792876064795 (1.62408e-06% change) linmin: converged after 4 iterations. iteration 692: trace = 2.451792838345648 (1.53843e-06% change) linmin: converged after 3 iterations. iteration 693: trace = 2.451792826915167 (4.66209e-07% change) large trace change predicted (1.79506e-06%) linmin: converged after 4 iterations. iteration 694: trace = 2.45179278290272 (1.79511e-06% change) linmin: converged after 3 iterations. iteration 695: trace = 2.451792747438423 (1.44646e-06% change) linmin: converged after 5 iterations. iteration 696: trace = 2.451792716364385 (1.2674e-06% change) linmin: converged after 2 iterations. iteration 697: trace = 2.451792665784828 (2.06296e-06% change) linmin: converged after 2 iterations. iteration 698: trace = 2.451792565258818 (4.1001e-06% change) linmin: converged after 3 iterations. iteration 699: trace = 2.45179236980796 (7.97175e-06% change) resetting CG direction... linmin: converged after 5 iterations. iteration 700: trace = 2.451792265840784 (4.24046e-06% change) linmin: converged after 3 iterations. iteration 701: trace = 2.451792191930716 (3.01453e-06% change) linmin: converged after 2 iterations. iteration 702: trace = 2.451792148664044 (1.7647e-06% change) linmin: converged after 13 iterations. iteration 703: trace = 2.451792122137848 (1.08191e-06% change) large trace change predicted (2.81916e-06%) linmin: converged after 3 iterations. iteration 704: trace = 2.451792053020108 (2.81907e-06% change) linmin: converged after 5 iterations. iteration 705: trace = 2.451792027058153 (1.0589e-06% change) linmin: converged after 2 iterations. iteration 706: trace = 2.45179201006231 (6.93201e-07% change) large trace change predicted (1.91178e-06%) linmin: converged after 3 iterations. iteration 707: trace = 2.451791963190513 (1.91174e-06% change) linmin: converged after 4 iterations. iteration 708: trace = 2.451791954954061 (3.35936e-07% change) large trace change predicted (1.13734e-06%) linmin: converged after 3 iterations. iteration 709: trace = 2.451791927069571 (1.13731e-06% change) linmin: converged after 3 iterations. iteration 710: trace = 2.451791905694446 (8.71816e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.45179189536726 (4.2121e-07% change) large trace change predicted (9.59289e-07%) linmin: converged after 3 iterations. iteration 712: trace = 2.45179187184791 (9.59272e-07% change) linmin: converged after 25 iterations. iteration 713: trace = 2.45179183881496 (1.3473e-06% change) linmin: converged after 2 iterations. iteration 714: trace = 2.451791828748036 (4.10595e-07% change) large trace change predicted (1.72028e-06%) linmin: converged after 7 iterations. iteration 715: trace = 2.45179178657364 (1.72015e-06% change) linmin: converged after 16 iterations. iteration 716: trace = 2.451791739505495 (1.91974e-06% change) linmin: converged after 5 iterations. iteration 717: trace = 2.451791726865672 (5.15534e-07% change) large trace change predicted (2.28472e-06%) linmin: converged after 3 iterations. iteration 718: trace = 2.451791670854469 (2.2845e-06% change) linmin: converged after 19 iterations. iteration 719: trace = 2.451791623146107 (1.94586e-06% change) linmin: converged after 5 iterations. iteration 720: trace = 2.451791604248033 (7.70786e-07% change) linmin: converged after 20 iterations. iteration 721: trace = 2.451791578522004 (1.04927e-06% change) linmin: converged after 5 iterations. iteration 722: trace = 2.45179154531984 (1.3542e-06% change) linmin: converged after 3 iterations. iteration 723: trace = 2.45179154001316 (2.16441e-07% change) large trace change predicted (1.04398e-06%) linmin: converged after 7 iterations. iteration 724: trace = 2.451791514417294 (1.04397e-06% change) linmin: converged after 2 iterations. iteration 725: trace = 2.451791499697777 (6.00358e-07% change) linmin: converged after 6 iterations. iteration 726: trace = 2.451791490821247 (3.62043e-07% change) linmin: converged after 21 iterations. iteration 727: trace = 2.451791479182166 (4.74717e-07% change) linmin: converged after 20 iterations. iteration 728: trace = 2.451791468603028 (4.31486e-07% change) linmin: converged after 22 iterations. iteration 729: trace = 2.451791463214177 (2.19792e-07% change) large trace change predicted (4.4337e-07%) linmin: converged after 4 iterations. iteration 730: trace = 2.451791452343017 (4.43397e-07% change) linmin: converged after 13 iterations. iteration 731: trace = 2.451791433208534 (7.80429e-07% change) linmin: converged after 3 iterations. iteration 732: trace = 2.451791427326031 (2.39927e-07% change) large trace change predicted (1.51442e-06%) linmin: converged after 3 iterations. iteration 733: trace = 2.451791390191013 (1.51461e-06% change) linmin: converged after 3 iterations. iteration 734: trace = 2.451791339090589 (2.08421e-06% change) linmin: converged after 4 iterations. iteration 735: trace = 2.451791314687017 (9.95336e-07% change) linmin: converged after 6 iterations. iteration 736: trace = 2.4517912856032 (1.18623e-06% change) linmin: converged after 3 iterations. iteration 737: trace = 2.451791227755417 (2.35941e-06% change) linmin: converged after 2 iterations. iteration 738: trace = 2.451791216222877 (4.70372e-07% change) large trace change predicted (1.06006e-06%) linmin: converged after 27 iterations. iteration 739: trace = 2.451791190230289 (1.06015e-06% change) linmin: converged after 5 iterations. iteration 740: trace = 2.451791175816381 (5.87893e-07% change) linmin: converged after 4 iterations. iteration 741: trace = 2.451791171007147 (1.96152e-07% change) large trace change predicted (4.24916e-07%) linmin: converged after 7 iterations. iteration 742: trace = 2.451791160588906 (4.24924e-07% change) linmin: converged after 4 iterations. iteration 743: trace = 2.451791150675575 (4.0433e-07% change) linmin: converged after 4 iterations. iteration 744: trace = 2.451791145408891 (2.1481e-07% change) linmin: converged after 3 iterations. iteration 745: trace = 2.451791137991258 (3.02539e-07% change) large trace change predicted (6.95864e-07%) linmin: converged after 3 iterations. iteration 746: trace = 2.451791120930879 (6.95833e-07% change) linmin: converged after 26 iterations. iteration 747: trace = 2.451791117822212 (1.26792e-07% change) large trace change predicted (7.7344e-07%) linmin: converged after 3 iterations. iteration 748: trace = 2.451791098859697 (7.73415e-07% change) linmin: converged after 4 iterations. iteration 749: trace = 2.451791091886388 (2.84417e-07% change) linmin: converged after 4 iterations. iteration 750: trace = 2.451791081648536 (4.17566e-07% change) large trace change predicted (8.54253e-07%) linmin: converged after 9 iterations. iteration 751: trace = 2.451791060704737 (8.54224e-07% change) linmin: converged after 2 iterations. iteration 752: trace = 2.451791041158371 (7.97228e-07% change) linmin: converged after 3 iterations. iteration 753: trace = 2.451791032627479 (3.47945e-07% change) large trace change predicted (1.04605e-06%) linmin: converged after 2 iterations. iteration 754: trace = 2.451791006980357 (1.04606e-06% change) linmin: converged after 4 iterations. iteration 755: trace = 2.451790980819919 (1.06699e-06% change) linmin: converged after 4 iterations. iteration 756: trace = 2.451790974218321 (2.69256e-07% change) large trace change predicted (1.11218e-06%) linmin: converged after 3 iterations. iteration 757: trace = 2.451790946951377 (1.11212e-06% change) linmin: converged after 3 iterations. iteration 758: trace = 2.451790925440033 (8.77373e-07% change) linmin: converged after 13 iterations. iteration 759: trace = 2.451790920711863 (1.92846e-07% change) large trace change predicted (4.36471e-07%) linmin: converged after 8 iterations. iteration 760: trace = 2.45179091001081 (4.36459e-07% change) linmin: converged after 8 iterations. iteration 761: trace = 2.451790900670096 (3.80975e-07% change) linmin: converged after 4 iterations. iteration 762: trace = 2.451790898448133 (9.06261e-08% change) large trace change predicted (2.66754e-07%) linmin: converged after 2 iterations. iteration 763: trace = 2.451790891907878 (2.66754e-07% change) linmin: converged after 11 iterations. iteration 764: trace = 2.451790884721091 (2.93124e-07% change) linmin: converged after 7 iterations. iteration 765: trace = 2.451790882029681 (1.09773e-07% change) large trace change predicted (4.53892e-07%) linmin: converged after 22 iterations. iteration 766: trace = 2.451790870901434 (4.53882e-07% change) linmin: converged after 3 iterations. iteration 767: trace = 2.451790862651265 (3.36496e-07% change) linmin: converged after 3 iterations. iteration 768: trace = 2.451790859943585 (1.10437e-07% change) linmin: converged after 9 iterations. iteration 769: trace = 2.451790854622261 (2.17038e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.451790850736156 (1.58501e-07% change) linmin: converged after 3 iterations. iteration 771: trace = 2.451790848780821 (7.97513e-08% change) large trace change predicted (2.8187e-07%) linmin: converged after 2 iterations. iteration 772: trace = 2.451790841869923 (2.81871e-07% change) linmin: converged after 24 iterations. iteration 773: trace = 2.45179083449406 (3.00836e-07% change) linmin: converged after 3 iterations. iteration 774: trace = 2.451790830224255 (1.7415e-07% change) large trace change predicted (3.49862e-07%) linmin: converged after 2 iterations. iteration 775: trace = 2.451790821646288 (3.49865e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.451790817590084 (1.65438e-07% change) linmin: converged after 5 iterations. iteration 777: trace = 2.451790812697268 (1.99561e-07% change) linmin: converged after 3 iterations. iteration 778: trace = 2.451790804441738 (3.36714e-07% change) linmin: converged after 5 iterations. iteration 779: trace = 2.451790799474577 (2.02593e-07% change) linmin: converged after 2 iterations. iteration 780: trace = 2.451790793746871 (2.33613e-07% change) large trace change predicted (7.06209e-07%) linmin: converged after 10 iterations. iteration 781: trace = 2.451790776431223 (7.06245e-07% change) linmin: converged after 9 iterations. iteration 782: trace = 2.451790763844448 (5.13371e-07% change) linmin: converged after 4 iterations. iteration 783: trace = 2.451790754432425 (3.83884e-07% change) large trace change predicted (8.1418e-07%) linmin: converged after 4 iterations. iteration 784: trace = 2.451790734469889 (8.14202e-07% change) linmin: converged after 6 iterations. iteration 785: trace = 2.451790725902935 (3.49416e-07% change) large trace change predicted (7.13664e-07%) linmin: converged after 22 iterations. iteration 786: trace = 2.451790708405207 (7.13671e-07% change) linmin: converged after 2 iterations. iteration 787: trace = 2.451790688069498 (8.29423e-07% change) linmin: converged after 13 iterations. iteration 788: trace = 2.451790676621194 (4.66936e-07% change) linmin: converged after 19 iterations. iteration 789: trace = 2.451790666951052 (3.94411e-07% change) linmin: converged after 7 iterations. iteration 790: trace = 2.45179065530475 (4.75012e-07% change) linmin: converged after 9 iterations. iteration 791: trace = 2.451790645464281 (4.01358e-07% change) linmin: converged after 3 iterations. iteration 792: trace = 2.451790640268372 (2.11923e-07% change) large trace change predicted (4.37856e-07%) linmin: converged after 3 iterations. iteration 793: trace = 2.451790629532549 (4.37877e-07% change) linmin: converged after 6 iterations. iteration 794: trace = 2.451790625486887 (1.65008e-07% change) linmin: converged after 7 iterations. iteration 795: trace = 2.451790621763671 (1.51857e-07% change) large trace change predicted (3.92591e-07%) linmin: converged after 5 iterations. iteration 796: trace = 2.451790612137841 (3.92604e-07% change) linmin: converged after 3 iterations. iteration 797: trace = 2.451790610497388 (6.69084e-08% change) large trace change predicted (3.81881e-07%) linmin: converged after 4 iterations. iteration 798: trace = 2.451790601134438 (3.81882e-07% change) linmin: converged after 10 iterations. iteration 799: trace = 2.451790592150075 (3.66441e-07% change) linmin: converged after 13 iterations. iteration 800: trace = 2.451790580991582 (4.55116e-07% change) linmin: converged after 4 iterations. iteration 801: trace = 2.451790575201232 (2.36168e-07% change) large trace change predicted (6.60894e-07%) linmin: converged after 2 iterations. iteration 802: trace = 2.451790558997469 (6.60895e-07% change) linmin: converged after 4 iterations. iteration 803: trace = 2.45179053723362 (8.87672e-07% change) linmin: converged after 6 iterations. iteration 804: trace = 2.451790529390748 (3.19883e-07% change) large trace change predicted (1.39634e-06%) linmin: converged after 4 iterations. iteration 805: trace = 2.451790495160123 (1.39615e-06% change) linmin: converged after 8 iterations. iteration 806: trace = 2.451790481076751 (5.74412e-07% change) linmin: converged after 3 iterations. iteration 807: trace = 2.451790459563808 (8.77438e-07% change) linmin: converged after 3 iterations. iteration 808: trace = 2.451790446342061 (5.39269e-07% change) linmin: converged after 4 iterations. iteration 809: trace = 2.451790440342123 (2.44717e-07% change) linmin: converged after 4 iterations. iteration 810: trace = 2.451790435433245 (2.00216e-07% change) linmin: converged after 3 iterations. iteration 811: trace = 2.451790428497347 (2.82891e-07% change) linmin: converged after 8 iterations. iteration 812: trace = 2.451790426597656 (7.74818e-08% change) large trace change predicted (2.46463e-07%) linmin: converged after 4 iterations. iteration 813: trace = 2.451790420554907 (2.46463e-07% change) linmin: converged after 4 iterations. iteration 814: trace = 2.451790415291416 (2.14679e-07% change) linmin: converged after 3 iterations. iteration 815: trace = 2.451790413150698 (8.73125e-08% change) large trace change predicted (4.66979e-07%) linmin: converged after 7 iterations. iteration 816: trace = 2.451790401701011 (4.66993e-07% change) linmin: converged after 3 iterations. iteration 817: trace = 2.451790388313961 (5.46011e-07% change) linmin: converged after 4 iterations. iteration 818: trace = 2.451790382630603 (2.31804e-07% change) large trace change predicted (5.34739e-07%) linmin: converged after 11 iterations. iteration 819: trace = 2.451790369519399 (5.3476e-07% change) linmin: converged after 9 iterations. iteration 820: trace = 2.451790348938323 (8.3943e-07% change) linmin: converged after 6 iterations. iteration 821: trace = 2.451790333163449 (6.43402e-07% change) linmin: converged after 8 iterations. iteration 822: trace = 2.45179032403559 (3.72294e-07% change) large trace change predicted (7.81578e-07%) linmin: converged after 14 iterations. iteration 823: trace = 2.451790304871935 (7.81619e-07% change) linmin: converged after 5 iterations. iteration 824: trace = 2.451790295531658 (3.80957e-07% change) linmin: converged after 2 iterations. iteration 825: trace = 2.451790285744269 (3.99194e-07% change) linmin: converged after 11 iterations. iteration 826: trace = 2.451790272061595 (5.58069e-07% change) linmin: converged after 6 iterations. iteration 827: trace = 2.451790266942433 (2.08793e-07% change) linmin: converged after 5 iterations. iteration 828: trace = 2.451790258678502 (3.37057e-07% change) linmin: converged after 3 iterations. iteration 829: trace = 2.451790247271042 (4.65271e-07% change) linmin: converged after 2 iterations. iteration 830: trace = 2.451790244311814 (1.20697e-07% change) large trace change predicted (3.56888e-07%) linmin: converged after 3 iterations. iteration 831: trace = 2.45179023556167 (3.56888e-07% change) linmin: converged after 25 iterations. iteration 832: trace = 2.45179022555658 (4.08073e-07% change) linmin: converged after 7 iterations. iteration 833: trace = 2.451790222941453 (1.06662e-07% change) large trace change predicted (2.88187e-07%) linmin: converged after 4 iterations. iteration 834: trace = 2.451790215875715 (2.88187e-07% change) large trace change predicted (6.82744e-07%) linmin: converged after 3 iterations. iteration 835: trace = 2.451790199135536 (6.82774e-07% change) linmin: converged after 2 iterations. iteration 836: trace = 2.451790194475009 (1.90087e-07% change) large trace change predicted (8.45349e-07%) linmin: converged after 3 iterations. iteration 837: trace = 2.451790173748307 (8.4537e-07% change) linmin: converged after 10 iterations. iteration 838: trace = 2.45179015497831 (7.65563e-07% change) linmin: converged after 16 iterations. iteration 839: trace = 2.451790141766932 (5.38846e-07% change) resetting CG direction... linmin: converged after 10 iterations. iteration 840: trace = 2.451790130652822 (4.53306e-07% change) linmin: converged after 3 iterations. iteration 841: trace = 2.451790117578799 (5.33244e-07% change) linmin: converged after 3 iterations. iteration 842: trace = 2.451790101719007 (6.46866e-07% change) linmin: converged after 25 iterations. iteration 843: trace = 2.451790097671424 (1.65087e-07% change) large trace change predicted (5.1677e-07%) linmin: converged after 3 iterations. iteration 844: trace = 2.451790085002 (5.16742e-07% change) linmin: converged after 5 iterations. iteration 845: trace = 2.451790075364461 (3.93082e-07% change) linmin: converged after 4 iterations. iteration 846: trace = 2.451790072195899 (1.29235e-07% change) large trace change predicted (4.12186e-07%) linmin: converged after 3 iterations. iteration 847: trace = 2.451790062090133 (4.12179e-07% change) linmin: converged after 17 iterations. iteration 848: trace = 2.451790058926191 (1.29046e-07% change) large trace change predicted (2.63649e-07%) linmin: converged after 5 iterations. iteration 849: trace = 2.451790052462258 (2.63641e-07% change) linmin: converged after 3 iterations. iteration 850: trace = 2.451790046396517 (2.47401e-07% change) linmin: converged after 8 iterations. iteration 851: trace = 2.451790043367849 (1.23529e-07% change) linmin: converged after 3 iterations. iteration 852: trace = 2.451790039269316 (1.67165e-07% change) large trace change predicted (3.34821e-07%) linmin: converged after 7 iterations. iteration 853: trace = 2.45179003106038 (3.34814e-07% change) linmin: converged after 24 iterations. iteration 854: trace = 2.451790024970796 (2.48373e-07% change) linmin: converged after 5 iterations. iteration 855: trace = 2.451790017007872 (3.2478e-07% change) linmin: converged after 3 iterations. iteration 856: trace = 2.451790004551986 (5.08032e-07% change) linmin: converged after 4 iterations. iteration 857: trace = 2.451790000272914 (1.74528e-07% change) large trace change predicted (5.59857e-07%) linmin: converged after 17 iterations. iteration 858: trace = 2.451789986547154 (5.59826e-07% change) linmin: converged after 5 iterations. iteration 859: trace = 2.451789975362655 (4.56177e-07% change) linmin: converged after 4 iterations. iteration 860: trace = 2.451789968005178 (3.00086e-07% change) linmin: converged after 4 iterations. iteration 861: trace = 2.45178996537633 (1.07222e-07% change) large trace change predicted (3.42951e-07%) linmin: converged after 22 iterations. iteration 862: trace = 2.451789956968089 (3.42943e-07% change) linmin: converged after 3 iterations. iteration 863: trace = 2.451789951005074 (2.43211e-07% change) linmin: converged after 6 iterations. iteration 864: trace = 2.451789948906951 (8.55751e-08% change) linmin: converged after 4 iterations. iteration 865: trace = 2.451789945675188 (1.31812e-07% change) linmin: converged after 3 iterations. iteration 866: trace = 2.451789943217673 (1.00233e-07% change) linmin: converged after 3 iterations. iteration 867: trace = 2.451789940823766 (9.76391e-08% change) linmin: converged after 5 iterations. iteration 868: trace = 2.451789938148882 (1.09099e-07% change) linmin: converged after 7 iterations. iteration 869: trace = 2.451789935455995 (1.09834e-07% change) linmin: converged after 29 iterations. iteration 870: trace = 2.451789933603409 (7.55606e-08% change) large trace change predicted (2.08614e-07%) linmin: converged after 16 iterations. iteration 871: trace = 2.45178992848846 (2.08621e-07% change) linmin: converged after 7 iterations. iteration 872: trace = 2.451789920896306 (3.09658e-07% change) linmin: converged after 3 iterations. iteration 873: trace = 2.451789917419556 (1.41805e-07% change) large trace change predicted (5.71054e-07%) linmin: converged after 3 iterations. iteration 874: trace = 2.45178990341708 (5.71112e-07% change) linmin: converged after 3 iterations. iteration 875: trace = 2.451789896518359 (2.81375e-07% change) linmin: converged after 6 iterations. iteration 876: trace = 2.451789889618854 (2.81407e-07% change) linmin: converged after 2 iterations. iteration 877: trace = 2.451789877036018 (5.1321e-07% change) linmin: converged after 2 iterations. iteration 878: trace = 2.451789870349878 (2.72704e-07% change) linmin: converged after 4 iterations. iteration 879: trace = 2.451789867664974 (1.09508e-07% change) linmin: converged after 21 iterations. iteration 880: trace = 2.451789864008951 (1.49116e-07% change) linmin: converged after 3 iterations. iteration 881: trace = 2.451789861036756 (1.21226e-07% change) linmin: converged after 4 iterations. iteration 882: trace = 2.451789860313866 (2.94842e-08% change) large trace change predicted (1.22215e-07%) linmin: converged after 4 iterations. iteration 883: trace = 2.451789857317415 (1.22215e-07% change) linmin: converged after 4 iterations. iteration 884: trace = 2.451789855887223 (5.83326e-08% change) linmin: converged after 2 iterations. iteration 885: trace = 2.451789854389887 (6.10711e-08% change) large trace change predicted (1.73986e-07%) linmin: converged after 4 iterations. iteration 886: trace = 2.45178985012418 (1.73983e-07% change) linmin: converged after 19 iterations. iteration 887: trace = 2.451789846931467 (1.3022e-07% change) linmin: converged after 4 iterations. iteration 888: trace = 2.451789844577092 (9.60267e-08% change) linmin: converged after 3 iterations. iteration 889: trace = 2.451789841005948 (1.45655e-07% change) linmin: converged after 3 iterations. iteration 890: trace = 2.451789836952724 (1.65317e-07% change) linmin: converged after 4 iterations. iteration 891: trace = 2.451789834899375 (8.3749e-08% change) large trace change predicted (2.33956e-07%) linmin: converged after 7 iterations. iteration 892: trace = 2.45178982916333 (2.33953e-07% change) linmin: converged after 10 iterations. iteration 893: trace = 2.451789822425168 (2.74826e-07% change) linmin: converged after 14 iterations. iteration 894: trace = 2.451789820359948 (8.42332e-08% change) large trace change predicted (2.40574e-07%) linmin: converged after 11 iterations. iteration 895: trace = 2.451789814461608 (2.40573e-07% change) linmin: converged after 4 iterations. iteration 896: trace = 2.451789809322398 (2.09611e-07% change) linmin: converged after 3 iterations. iteration 897: trace = 2.451789807034282 (9.33243e-08% change) linmin: converged after 27 iterations. iteration 898: trace = 2.4517898026986 (1.76837e-07% change) linmin: converged after 4 iterations. iteration 899: trace = 2.451789799312174 (1.38121e-07% change) linmin: converged after 4 iterations. iteration 900: trace = 2.451789798438976 (3.56147e-08% change) large trace change predicted (1.16608e-07%) linmin: converged after 11 iterations. iteration 901: trace = 2.451789795580043 (1.16606e-07% change) linmin: converged after 4 iterations. iteration 902: trace = 2.45178979435659 (4.99004e-08% change) linmin: converged after 4 iterations. iteration 903: trace = 2.45178979329159 (4.34376e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.451789791283026 (8.19224e-08% change) linmin: converged after 3 iterations. iteration 905: trace = 2.451789789747027 (6.2648e-08% change) linmin: converged after 6 iterations. iteration 906: trace = 2.45178978823559 (6.16463e-08% change) linmin: converged after 8 iterations. iteration 907: trace = 2.451789786422252 (7.39598e-08% change) linmin: converged after 3 iterations. iteration 908: trace = 2.451789785136507 (5.24411e-08% change) linmin: converged after 3 iterations. iteration 909: trace = 2.451789784398787 (3.0089e-08% change) resetting CG direction... linmin: converged after 33 iterations. iteration 910: trace = 2.45178978372239 (2.75879e-08% change) linmin: converged after 3 iterations. iteration 911: trace = 2.451789782726463 (4.06204e-08% change) linmin: converged after 3 iterations. iteration 912: trace = 2.451789781212491 (6.17497e-08% change) linmin: converged after 7 iterations. iteration 913: trace = 2.451789779875948 (5.45129e-08% change) linmin: converged after 4 iterations. iteration 914: trace = 2.451789778625379 (5.10064e-08% change) linmin: converged after 2 iterations. iteration 915: trace = 2.451789776564825 (8.40429e-08% change) linmin: converged after 4 iterations. iteration 916: trace = 2.451789775371867 (4.86566e-08% change) linmin: converged after 3 iterations. iteration 917: trace = 2.451789774054313 (5.37384e-08% change) large trace change predicted (1.1113e-07%) linmin: converged after 3 iterations. iteration 918: trace = 2.451789771329607 (1.11131e-07% change) linmin: converged after 27 iterations. iteration 919: trace = 2.451789770574177 (3.08114e-08% change) large trace change predicted (9.94201e-08%) linmin: converged after 8 iterations. iteration 920: trace = 2.451789768136583 (9.9421e-08% change) linmin: converged after 21 iterations. iteration 921: trace = 2.451789765165151 (1.21194e-07% change) linmin: converged after 5 iterations. iteration 922: trace = 2.451789764039035 (4.59304e-08% change) large trace change predicted (1.71542e-07%) linmin: converged after 20 iterations. iteration 923: trace = 2.451789759833119 (1.71545e-07% change) linmin: converged after 4 iterations. iteration 924: trace = 2.451789755064095 (1.94512e-07% change) linmin: converged after 5 iterations. iteration 925: trace = 2.451789753301272 (7.18994e-08% change) large trace change predicted (2.41629e-07%) linmin: converged after 3 iterations. iteration 926: trace = 2.451789747377023 (2.4163e-07% change) linmin: converged after 3 iterations. iteration 927: trace = 2.451789743136205 (1.72968e-07% change) linmin: converged after 4 iterations. iteration 928: trace = 2.451789741484413 (6.73709e-08% change) large trace change predicted (1.71697e-07%) linmin: converged after 4 iterations. iteration 929: trace = 2.451789737274729 (1.71698e-07% change) linmin: converged after 10 iterations. iteration 930: trace = 2.451789734450408 (1.15194e-07% change) linmin: converged after 4 iterations. iteration 931: trace = 2.451789733233363 (4.9639e-08% change) large trace change predicted (1.07501e-07%) linmin: converged after 3 iterations. iteration 932: trace = 2.451789730597635 (1.07502e-07% change) linmin: converged after 7 iterations. iteration 933: trace = 2.451789727973979 (1.0701e-07% change) linmin: converged after 4 iterations. iteration 934: trace = 2.451789727193226 (3.18442e-08% change) linmin: converged after 11 iterations. iteration 935: trace = 2.451789725794567 (5.70465e-08% change) linmin: converged after 3 iterations. iteration 936: trace = 2.451789723405372 (9.7447e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.451789722618933 (3.20761e-08% change) large trace change predicted (7.73954e-08%) linmin: converged after 3 iterations. iteration 938: trace = 2.451789720721378 (7.73947e-08% change) linmin: converged after 16 iterations. iteration 939: trace = 2.451789718299249 (9.87903e-08% change) linmin: converged after 4 iterations. iteration 940: trace = 2.45178971719452 (4.5058e-08% change) large trace change predicted (1.45787e-07%) linmin: converged after 4 iterations. iteration 941: trace = 2.451789713620216 (1.45783e-07% change) linmin: converged after 4 iterations. iteration 942: trace = 2.451789708394984 (2.13119e-07% change) linmin: converged after 5 iterations. iteration 943: trace = 2.451789704353748 (1.64828e-07% change) linmin: converged after 3 iterations. iteration 944: trace = 2.451789702342172 (8.20452e-08% change) large trace change predicted (3.28493e-07%) linmin: converged after 20 iterations. iteration 945: trace = 2.451789694288807 (3.28469e-07% change) linmin: converged after 11 iterations. iteration 946: trace = 2.451789687656083 (2.70526e-07% change) linmin: converged after 4 iterations. iteration 947: trace = 2.451789685223355 (9.92225e-08% change) linmin: converged after 3 iterations. iteration 948: trace = 2.451789680907474 (1.7603e-07% change) linmin: converged after 4 iterations. iteration 949: trace = 2.451789678868922 (8.31455e-08% change) linmin: converged after 4 iterations. iteration 950: trace = 2.451789678173815 (2.8351e-08% change) linmin: converged after 10 iterations. iteration 951: trace = 2.451789676801328 (5.5979e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.45178967541773 (5.64322e-08% change) linmin: converged after 4 iterations. iteration 953: trace = 2.45178967492127 (2.02489e-08% change) large trace change predicted (5.11301e-08%) linmin: converged after 4 iterations. iteration 954: trace = 2.45178967366767 (5.113e-08% change) large trace change predicted (1.05106e-07%) linmin: converged after 19 iterations. iteration 955: trace = 2.451789671090639 (1.05108e-07% change) linmin: converged after 4 iterations. iteration 956: trace = 2.451789670085494 (4.09964e-08% change) large trace change predicted (1.68508e-07%) linmin: converged after 5 iterations. iteration 957: trace = 2.451789665953879 (1.68514e-07% change) linmin: converged after 3 iterations. iteration 958: trace = 2.451789663133067 (1.15051e-07% change) linmin: converged after 23 iterations. iteration 959: trace = 2.451789661467946 (6.79145e-08% change) large trace change predicted (1.98625e-07%) linmin: converged after 11 iterations. iteration 960: trace = 2.451789656597763 (1.98638e-07% change) linmin: converged after 22 iterations. iteration 961: trace = 2.451789652026789 (1.86434e-07% change) linmin: converged after 7 iterations. iteration 962: trace = 2.451789650084212 (7.9231e-08% change) large trace change predicted (1.94608e-07%) linmin: converged after 5 iterations. iteration 963: trace = 2.451789645312699 (1.94613e-07% change) linmin: converged after 2 iterations. iteration 964: trace = 2.451789642824902 (1.01469e-07% change) linmin: converged after 4 iterations. iteration 965: trace = 2.451789640346874 (1.0107e-07% change) linmin: converged after 7 iterations. iteration 966: trace = 2.451789637012786 (1.35986e-07% change) linmin: converged after 4 iterations. iteration 967: trace = 2.451789635615617 (5.69857e-08% change) linmin: converged after 8 iterations. iteration 968: trace = 2.451789633832326 (7.27343e-08% change) linmin: converged after 3 iterations. iteration 969: trace = 2.451789631345194 (1.01441e-07% change) linmin: converged after 7 iterations. iteration 970: trace = 2.451789628626759 (1.10876e-07% change) linmin: converged after 5 iterations. iteration 971: trace = 2.45178962806572 (2.28828e-08% change) large trace change predicted (1.01899e-07%) linmin: converged after 3 iterations. iteration 972: trace = 2.45178962556734 (1.019e-07% change) linmin: converged after 3 iterations. iteration 973: trace = 2.451789624377636 (4.85239e-08% change) linmin: converged after 4 iterations. iteration 974: trace = 2.451789622558809 (7.41837e-08% change) linmin: converged after 4 iterations. iteration 975: trace = 2.4517896190195 (1.44356e-07% change) linmin: converged after 6 iterations. iteration 976: trace = 2.451789614337821 (1.90949e-07% change) linmin: converged after 4 iterations. iteration 977: trace = 2.451789612451773 (7.69254e-08% change) large trace change predicted (1.92361e-07%) linmin: converged after 10 iterations. iteration 978: trace = 2.451789607735527 (1.92359e-07% change) large trace change predicted (5.90753e-07%) linmin: converged after 4 iterations. iteration 979: trace = 2.451789593251029 (5.90773e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.451789585678058 (3.08875e-07% change) linmin: converged after 10 iterations. iteration 981: trace = 2.45178958142829 (1.73333e-07% change) linmin: converged after 21 iterations. iteration 982: trace = 2.451789579193533 (9.1148e-08% change) linmin: converged after 7 iterations. iteration 983: trace = 2.451789576710129 (1.01289e-07% change) linmin: converged after 9 iterations. iteration 984: trace = 2.451789571854989 (1.98024e-07% change) linmin: converged after 4 iterations. iteration 985: trace = 2.451789569994678 (7.58756e-08% change) linmin: converged after 4 iterations. iteration 986: trace = 2.451789568186286 (7.3758e-08% change) linmin: converged after 3 iterations. iteration 987: trace = 2.451789565693987 (1.01652e-07% change) linmin: converged after 21 iterations. iteration 988: trace = 2.451789565351379 (1.39738e-08% change) large trace change predicted (5.4164e-08%) linmin: converged after 6 iterations. iteration 989: trace = 2.451789564023403 (5.41635e-08% change) linmin: converged after 3 iterations. iteration 990: trace = 2.451789562895927 (4.59859e-08% change) linmin: converged after 3 iterations. iteration 991: trace = 2.451789562012754 (3.60215e-08% change) linmin: converged after 6 iterations. iteration 992: trace = 2.45178956119363 (3.34093e-08% change) large trace change predicted (1.02683e-07%) linmin: converged after 5 iterations. iteration 993: trace = 2.451789558676108 (1.02681e-07% change) linmin: converged after 4 iterations. iteration 994: trace = 2.451789557848725 (3.37461e-08% change) large trace change predicted (9.42778e-08%) linmin: converged after 9 iterations. iteration 995: trace = 2.451789555537272 (9.42762e-08% change) linmin: converged after 7 iterations. iteration 996: trace = 2.45178955330259 (9.11449e-08% change) linmin: converged after 6 iterations. iteration 997: trace = 2.451789552371775 (3.79647e-08% change) large trace change predicted (9.25579e-08%) linmin: converged after 3 iterations. iteration 998: trace = 2.45178955010249 (9.25563e-08% change) linmin: converged after 18 iterations. iteration 999: trace = 2.451789548159242 (7.92583e-08% change) linmin: converged after 4 iterations. iteration 1000: trace = 2.451789546746675 (5.76137e-08% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.451789545196658 (6.32198e-08% change) linmin: converged after 21 iterations. iteration 1002: trace = 2.451789542106697 (1.26029e-07% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.451789541684409 (1.72237e-08% change) large trace change predicted (6.35029e-08%) linmin: converged after 6 iterations. iteration 1004: trace = 2.451789540127463 (6.35024e-08% change) linmin: converged after 4 iterations. iteration 1005: trace = 2.451789539327693 (3.26198e-08% change) linmin: converged after 5 iterations. iteration 1006: trace = 2.451789538984625 (1.39925e-08% change) linmin: converged after 23 iterations. iteration 1007: trace = 2.451789538315147 (2.73057e-08% change) linmin: converged after 4 iterations. iteration 1008: trace = 2.451789537595789 (2.93401e-08% change) linmin: converged after 5 iterations. iteration 1009: trace = 2.451789537373796 (9.05435e-09% change) large trace change predicted (2.14582e-08%) linmin: converged after 4 iterations. iteration 1010: trace = 2.451789536847683 (2.14583e-08% change) large trace change predicted (5.3587e-08%) linmin: converged after 13 iterations. iteration 1011: trace = 2.45178953553382 (5.35879e-08% change) linmin: converged after 4 iterations. iteration 1012: trace = 2.451789534473829 (4.32334e-08% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.451789532694611 (7.25681e-08% change) linmin: converged after 4 iterations. iteration 1014: trace = 2.451789530314902 (9.70601e-08% change) linmin: converged after 8 iterations. iteration 1015: trace = 2.451789529110084 (4.91403e-08% change) large trace change predicted (9.94358e-08%) linmin: converged after 23 iterations. iteration 1016: trace = 2.451789526672045 (9.94392e-08% change) linmin: converged after 5 iterations. iteration 1017: trace = 2.45178952391461 (1.12466e-07% change) linmin: converged after 21 iterations. iteration 1018: trace = 2.451789522857236 (4.31266e-08% change) linmin: converged after 4 iterations. iteration 1019: trace = 2.451789522061707 (3.24468e-08% change) linmin: converged after 8 iterations. iteration 1020: trace = 2.451789521192991 (3.54319e-08% change) linmin: converged after 3 iterations. iteration 1021: trace = 2.451789520608171 (2.38528e-08% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.45178952020785 (1.63277e-08% change) linmin: converged after 9 iterations. iteration 1023: trace = 2.451789519633386 (2.34304e-08% change) linmin: converged after 6 iterations. iteration 1024: trace = 2.451789519118052 (2.10187e-08% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.451789518781816 (1.37139e-08% change) large trace change predicted (3.35776e-08%) linmin: converged after 4 iterations. iteration 1026: trace = 2.451789517958568 (3.35774e-08% change) linmin: converged after 4 iterations. iteration 1027: trace = 2.451789517439551 (2.11689e-08% change) linmin: converged after 5 iterations. iteration 1028: trace = 2.451789516938425 (2.04392e-08% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.45178951636189 (2.35149e-08% change) linmin: converged after 4 iterations. iteration 1030: trace = 2.451789515625428 (3.00377e-08% change) linmin: converged after 5 iterations. iteration 1031: trace = 2.451789514847983 (3.17093e-08% change) large trace change predicted (7.18198e-08%) linmin: converged after 3 iterations. iteration 1032: trace = 2.451789513087109 (7.182e-08% change) linmin: converged after 7 iterations. iteration 1033: trace = 2.451789512566876 (2.12185e-08% change) linmin: converged after 15 iterations. iteration 1034: trace = 2.451789511630865 (3.81767e-08% change) linmin: converged after 2 iterations. iteration 1035: trace = 2.451789510064173 (6.38999e-08% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.451789509702204 (1.47634e-08% change) large trace change predicted (4.24194e-08%) linmin: converged after 6 iterations. iteration 1037: trace = 2.451789508662174 (4.24192e-08% change) linmin: converged after 28 iterations. iteration 1038: trace = 2.451789507461098 (4.89877e-08% change) linmin: converged after 4 iterations. iteration 1039: trace = 2.451789506606025 (3.48755e-08% change) linmin: converged after 18 iterations. iteration 1040: trace = 2.451789506409705 (8.00722e-09% change) large trace change predicted (3.02161e-08%) linmin: converged after 4 iterations. iteration 1041: trace = 2.451789505668874 (3.02159e-08% change) linmin: converged after 13 iterations. iteration 1042: trace = 2.451789505435705 (9.51014e-09% change) linmin: converged after 2 iterations. iteration 1043: trace = 2.451789505158259 (1.13161e-08% change) linmin: converged after 3 iterations. iteration 1044: trace = 2.451789504774739 (1.56425e-08% change) linmin: converged after 20 iterations. iteration 1045: trace = 2.451789504329974 (1.81404e-08% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.451789504003197 (1.33281e-08% change) linmin: converged after 2 iterations. iteration 1047: trace = 2.451789503590501 (1.68324e-08% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.451789503330634 (1.05991e-08% change) linmin: converged after 28 iterations. iteration 1049: trace = 2.451789503128339 (8.2509e-09% change) resetting CG direction... linmin: converged after 9 iterations. iteration 1050: trace = 2.451789502962016 (6.78374e-09% change) linmin: converged after 13 iterations. iteration 1051: trace = 2.451789502784436 (7.24288e-09% change) large trace change predicted (1.47416e-08%) linmin: converged after 9 iterations. iteration 1052: trace = 2.451789502423002 (1.47417e-08% change) linmin: converged after 8 iterations. iteration 1053: trace = 2.451789502164915 (1.05265e-08% change) linmin: converged after 5 iterations. iteration 1054: trace = 2.451789501825544 (1.38418e-08% change) linmin: converged after 5 iterations. iteration 1055: trace = 2.451789501411684 (1.68799e-08% change) linmin: converged after 16 iterations. iteration 1056: trace = 2.451789501173288 (9.72333e-09% change) linmin: converged after 6 iterations. iteration 1057: trace = 2.451789500828162 (1.40765e-08% change) linmin: converged after 6 iterations. iteration 1058: trace = 2.451789500177974 (2.65189e-08% change) linmin: converged after 5 iterations. iteration 1059: trace = 2.451789500037444 (5.73174e-09% change) large trace change predicted (2.99825e-08%) linmin: converged after 10 iterations. iteration 1060: trace = 2.451789499302327 (2.99829e-08% change) linmin: converged after 3 iterations. iteration 1061: trace = 2.451789498557349 (3.03851e-08% change) linmin: converged after 3 iterations. iteration 1062: trace = 2.451789498039462 (2.11228e-08% change) linmin: converged after 4 iterations. iteration 1063: trace = 2.45178949738404 (2.67324e-08% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.45178949622907 (4.71072e-08% change) linmin: converged after 22 iterations. iteration 1065: trace = 2.451789495305421 (3.76725e-08% change) linmin: converged after 21 iterations. iteration 1066: trace = 2.451789494721137 (2.38309e-08% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.45178949360109 (4.56828e-08% change) linmin: converged after 8 iterations. iteration 1068: trace = 2.451789492856723 (3.03601e-08% change) linmin: converged after 10 iterations. iteration 1069: trace = 2.45178949229224 (2.30233e-08% change) linmin: converged after 4 iterations. iteration 1070: trace = 2.451789491797887 (2.01629e-08% change) linmin: converged after 5 iterations. iteration 1071: trace = 2.451789491365316 (1.76431e-08% change) linmin: converged after 24 iterations. iteration 1072: trace = 2.451789491118513 (1.00662e-08% change) large trace change predicted (2.96234e-08%) linmin: converged after 10 iterations. iteration 1073: trace = 2.451789490392196 (2.96239e-08% change) linmin: converged after 13 iterations. iteration 1074: trace = 2.451789490292126 (4.08152e-09% change) large trace change predicted (2.13499e-08%) linmin: converged after 6 iterations. iteration 1075: trace = 2.45178948976867 (2.135e-08% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.451789489385334 (1.56349e-08% change) linmin: converged after 6 iterations. iteration 1077: trace = 2.451789489219977 (6.74434e-09% change) large trace change predicted (1.81852e-08%) linmin: converged after 25 iterations. iteration 1078: trace = 2.451789488774115 (1.81852e-08% change) linmin: converged after 4 iterations. iteration 1079: trace = 2.451789488193018 (2.37009e-08% change) linmin: converged after 4 iterations. iteration 1080: trace = 2.451789487810412 (1.56052e-08% change) linmin: converged after 25 iterations. iteration 1081: trace = 2.451789487217555 (2.41806e-08% change) large trace change predicted (5.80925e-08%) linmin: converged after 5 iterations. iteration 1082: trace = 2.451789485793301 (5.80904e-08% change) linmin: converged after 3 iterations. iteration 1083: trace = 2.451789484321333 (6.00365e-08% change) linmin: converged after 3 iterations. iteration 1084: trace = 2.451789483715688 (2.47022e-08% change) large trace change predicted (5.20395e-08%) linmin: converged after 4 iterations. iteration 1085: trace = 2.451789482439815 (5.20384e-08% change) linmin: converged after 17 iterations. iteration 1086: trace = 2.451789480615766 (7.43967e-08% change) linmin: converged after 23 iterations. iteration 1087: trace = 2.451789480057849 (2.27555e-08% change) linmin: converged after 3 iterations. iteration 1088: trace = 2.451789479697598 (1.46934e-08% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.451789479318219 (1.54735e-08% change) linmin: converged after 7 iterations. iteration 1090: trace = 2.451789479135877 (7.43712e-09% change) linmin: converged after 3 iterations. iteration 1091: trace = 2.451789478962792 (7.05951e-09% change) large trace change predicted (1.42707e-08%) linmin: converged after 4 iterations. iteration 1092: trace = 2.451789478612902 (1.42708e-08% change) linmin: converged after 15 iterations. iteration 1093: trace = 2.451789478422191 (7.77848e-09% change) linmin: converged after 34 iterations. iteration 1094: trace = 2.451789478208868 (8.70069e-09% change) large trace change predicted (3.48622e-08%) linmin: converged after 5 iterations. iteration 1095: trace = 2.451789477354111 (3.48626e-08% change) linmin: converged after 7 iterations. iteration 1096: trace = 2.451789477140853 (8.69805e-09% change) large trace change predicted (4.79724e-08%) linmin: converged after 4 iterations. iteration 1097: trace = 2.451789475964652 (4.79732e-08% change) linmin: converged after 10 iterations. iteration 1098: trace = 2.451789475110714 (3.48292e-08% change) linmin: converged after 9 iterations. iteration 1099: trace = 2.451789474615168 (2.02116e-08% change) linmin: converged after 15 iterations. iteration 1100: trace = 2.451789474057113 (2.27611e-08% change) linmin: converged after 2 iterations. iteration 1101: trace = 2.451789472951869 (4.50791e-08% change) linmin: converged after 3 iterations. iteration 1102: trace = 2.451789472627342 (1.32363e-08% change) large trace change predicted (4.17731e-08%) linmin: converged after 4 iterations. iteration 1103: trace = 2.451789471603143 (4.17735e-08% change) linmin: converged after 6 iterations. iteration 1104: trace = 2.451789470678366 (3.77185e-08% change) linmin: converged after 23 iterations. iteration 1105: trace = 2.451789470466405 (8.64518e-09% change) large trace change predicted (3.40001e-08%) linmin: converged after 4 iterations. iteration 1106: trace = 2.451789469632787 (3.40004e-08% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.451789469155216 (1.94785e-08% change) linmin: converged after 18 iterations. iteration 1108: trace = 2.451789468979577 (7.16369e-09% change) large trace change predicted (1.51594e-08%) linmin: converged after 12 iterations. iteration 1109: trace = 2.451789468607901 (1.51594e-08% change) linmin: converged after 7 iterations. iteration 1110: trace = 2.451789468055926 (2.25131e-08% change) linmin: converged after 3 iterations. iteration 1111: trace = 2.451789467543086 (2.09169e-08% change) linmin: converged after 5 iterations. iteration 1112: trace = 2.451789467372647 (6.95164e-09% change) large trace change predicted (3.2074e-08%) linmin: converged after 3 iterations. iteration 1113: trace = 2.451789466586261 (3.20739e-08% change) linmin: converged after 3 iterations. iteration 1114: trace = 2.451789466215636 (1.51165e-08% change) linmin: converged after 16 iterations. iteration 1115: trace = 2.451789465543267 (2.74236e-08% change) large trace change predicted (5.78277e-08%) linmin: converged after 4 iterations. iteration 1116: trace = 2.451789464125439 (5.78283e-08% change) linmin: converged after 6 iterations. iteration 1117: trace = 2.451789463598613 (2.14874e-08% change) linmin: converged after 2 iterations. iteration 1118: trace = 2.451789462772691 (3.36865e-08% change) large trace change predicted (2.24586e-07%) linmin: converged after 16 iterations. iteration 1119: trace = 2.4517894572662 (2.24591e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.451789454800628 (1.00562e-07% change) linmin: converged after 4 iterations. iteration 1121: trace = 2.451789453900319 (3.67205e-08% change) linmin: converged after 3 iterations. iteration 1122: trace = 2.451789453020805 (3.58724e-08% change) linmin: converged after 6 iterations. iteration 1123: trace = 2.451789451877852 (4.66171e-08% change) linmin: converged after 3 iterations. iteration 1124: trace = 2.451789451058146 (3.3433e-08% change) linmin: converged after 23 iterations. iteration 1125: trace = 2.451789450292417 (3.12314e-08% change) linmin: converged after 28 iterations. iteration 1126: trace = 2.451789449846724 (1.81783e-08% change) linmin: converged after 4 iterations. iteration 1127: trace = 2.451789449739992 (4.35323e-09% change) large trace change predicted (1.71206e-08%) linmin: converged after 20 iterations. iteration 1128: trace = 2.451789449320231 (1.71206e-08% change) linmin: converged after 5 iterations. iteration 1129: trace = 2.451789449162853 (6.41887e-09% change) linmin: converged after 5 iterations. iteration 1130: trace = 2.451789448977824 (7.54669e-09% change) linmin: converged after 19 iterations. iteration 1131: trace = 2.451789448732061 (1.00239e-08% change) linmin: converged after 5 iterations. iteration 1132: trace = 2.451789448580512 (6.18114e-09% change) linmin: converged after 9 iterations. iteration 1133: trace = 2.451789448434489 (5.95576e-09% change) large trace change predicted (1.70511e-08%) linmin: converged after 4 iterations. iteration 1134: trace = 2.451789448016434 (1.7051e-08% change) linmin: converged after 4 iterations. iteration 1135: trace = 2.451789447897852 (4.83657e-09% change) large trace change predicted (2.00637e-08%) linmin: converged after 4 iterations. iteration 1136: trace = 2.451789447405936 (2.00635e-08% change) linmin: converged after 3 iterations. iteration 1137: trace = 2.451789446929933 (1.94145e-08% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.451789446724038 (8.39776e-09% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.451789446344243 (1.54905e-08% change) linmin: converged after 9 iterations. iteration 1140: trace = 2.45178944594209 (1.64024e-08% change) linmin: converged after 17 iterations. iteration 1141: trace = 2.451789445712825 (9.35093e-09% change) linmin: converged after 4 iterations. iteration 1142: trace = 2.451789445324603 (1.58342e-08% change) linmin: converged after 4 iterations. iteration 1143: trace = 2.451789444874431 (1.83609e-08% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.451789444802293 (2.94227e-09% change) large trace change predicted (1.74985e-08%) linmin: converged after 5 iterations. iteration 1145: trace = 2.451789444373273 (1.74983e-08% change) linmin: converged after 14 iterations. iteration 1146: trace = 2.451789444197008 (7.18921e-09% change) linmin: converged after 5 iterations. iteration 1147: trace = 2.451789443999578 (8.05251e-09% change) linmin: converged after 17 iterations. iteration 1148: trace = 2.451789443967304 (1.31635e-09% change) large trace change predicted (3.92356e-09%) linmin: converged after 17 iterations. iteration 1149: trace = 2.451789443871107 (3.92352e-09% change) linmin: converged after 12 iterations. iteration 1150: trace = 2.451789443739499 (5.36784e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.451789443650296 (3.63828e-09% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.451789443487256 (6.64987e-09% change) large trace change predicted (1.54921e-08%) linmin: converged after 16 iterations. iteration 1153: trace = 2.451789443107419 (1.54922e-08% change) linmin: converged after 6 iterations. iteration 1154: trace = 2.451789442959 (6.05348e-09% change) large trace change predicted (1.78009e-08%) linmin: converged after 4 iterations. iteration 1155: trace = 2.451789442522556 (1.78011e-08% change) linmin: converged after 8 iterations. iteration 1156: trace = 2.451789442034507 (1.99058e-08% change) linmin: converged after 6 iterations. iteration 1157: trace = 2.451789441869777 (6.71875e-09% change) large trace change predicted (1.91735e-08%) linmin: converged after 9 iterations. iteration 1158: trace = 2.451789441399677 (1.91737e-08% change) linmin: converged after 14 iterations. iteration 1159: trace = 2.451789441022405 (1.53876e-08% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.45178944093529 (3.55313e-09% change) large trace change predicted (7.82666e-09%) linmin: converged after 8 iterations. iteration 1161: trace = 2.451789440743395 (7.82673e-09% change) linmin: converged after 15 iterations. iteration 1162: trace = 2.451789440575512 (6.84737e-09% change) linmin: converged after 4 iterations. iteration 1163: trace = 2.451789440533234 (1.72436e-09% change) large trace change predicted (3.9798e-09%) linmin: converged after 19 iterations. iteration 1164: trace = 2.451789440435655 (3.9799e-09% change) linmin: converged after 4 iterations. iteration 1165: trace = 2.451789440316674 (4.85282e-09% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.451789440273216 (1.77252e-09% change) large trace change predicted (5.59232e-09%) linmin: converged after 17 iterations. iteration 1167: trace = 2.451789440136105 (5.59229e-09% change) linmin: converged after 10 iterations. iteration 1168: trace = 2.451789439956406 (7.3293e-09% change) linmin: converged after 8 iterations. iteration 1169: trace = 2.45178943988431 (2.94055e-09% change) linmin: converged after 5 iterations. iteration 1170: trace = 2.451789439783332 (4.11852e-09% change) large trace change predicted (9.80716e-09%) linmin: converged after 3 iterations. iteration 1171: trace = 2.451789439542881 (9.80717e-09% change) linmin: converged after 30 iterations. iteration 1172: trace = 2.451789439491519 (2.09488e-09% change) large trace change predicted (7.7296e-09%) linmin: converged after 7 iterations. iteration 1173: trace = 2.451789439302004 (7.72966e-09% change) linmin: converged after 25 iterations. iteration 1174: trace = 2.451789438979144 (1.31683e-08% change) linmin: converged after 22 iterations. iteration 1175: trace = 2.451789438861095 (4.81482e-09% change) large trace change predicted (1.15483e-08%) linmin: converged after 13 iterations. iteration 1176: trace = 2.451789438577952 (1.15485e-08% change) linmin: converged after 3 iterations. iteration 1177: trace = 2.451789438316322 (1.0671e-08% change) linmin: converged after 6 iterations. iteration 1178: trace = 2.451789438158082 (6.45403e-09% change) linmin: converged after 9 iterations. iteration 1179: trace = 2.451789438091058 (2.7337e-09% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.451789437960886 (5.30928e-09% change) linmin: converged after 18 iterations. iteration 1181: trace = 2.451789437810039 (6.15252e-09% change) linmin: converged after 2 iterations. iteration 1182: trace = 2.451789437784512 (1.04116e-09% change) large trace change predicted (3.34086e-09%) linmin: converged after 22 iterations. iteration 1183: trace = 2.4517894377026 (3.34088e-09% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.451789437626897 (3.08766e-09% change) linmin: converged after 4 iterations. iteration 1185: trace = 2.451789437594309 (1.32914e-09% change) large trace change predicted (3.49077e-09%) linmin: converged after 16 iterations. iteration 1186: trace = 2.451789437508722 (3.4908e-09% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.451789437423225 (3.48712e-09% change) linmin: converged after 8 iterations. iteration 1188: trace = 2.451789437381752 (1.69154e-09% change) linmin: converged after 13 iterations. iteration 1189: trace = 2.45178943733497 (1.9081e-09% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1190: trace = 2.451789437298785 (1.47584e-09% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.4517894372732 (1.04355e-09% change) large trace change predicted (2.24058e-09%) linmin: converged after 3 iterations. iteration 1192: trace = 2.451789437218267 (2.24052e-09% change) linmin: converged after 27 iterations. iteration 1193: trace = 2.451789437180832 (1.52682e-09% change) linmin: converged after 2 iterations. iteration 1194: trace = 2.451789437115108 (2.68065e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.45178943702815 (3.54672e-09% change) linmin: converged after 9 iterations. iteration 1196: trace = 2.451789436981476 (1.90368e-09% change) linmin: converged after 10 iterations. iteration 1197: trace = 2.451789436907156 (3.03126e-09% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.451789436782107 (5.10031e-09% change) linmin: converged after 7 iterations. iteration 1199: trace = 2.451789436754382 (1.1308e-09% change) large trace change predicted (4.92148e-09%) linmin: converged after 4 iterations. iteration 1200: trace = 2.451789436633713 (4.9217e-09% change) linmin: converged after 4 iterations. iteration 1201: trace = 2.45178943651096 (5.00663e-09% change) linmin: converged after 4 iterations. iteration 1202: trace = 2.451789436451737 (2.41553e-09% change) large trace change predicted (7.0607e-09%) linmin: converged after 17 iterations. iteration 1203: trace = 2.451789436278625 (7.06063e-09% change) linmin: converged after 2 iterations. iteration 1204: trace = 2.451789436022101 (1.04627e-08% change) linmin: converged after 3 iterations. iteration 1205: trace = 2.45178943583682 (7.55699e-09% change) linmin: converged after 19 iterations. iteration 1206: trace = 2.451789435709842 (5.17897e-09% change) linmin: converged after 8 iterations. iteration 1207: trace = 2.451789435513479 (8.00896e-09% change) linmin: converged after 4 iterations. iteration 1208: trace = 2.451789435382537 (5.34067e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.451789435301188 (3.31795e-09% change) linmin: converged after 7 iterations. iteration 1210: trace = 2.451789435203965 (3.96541e-09% change) linmin: converged after 4 iterations. iteration 1211: trace = 2.451789435127112 (3.13456e-09% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.451789435049508 (3.1652e-09% change) linmin: converged after 32 iterations. iteration 1213: trace = 2.451789434904809 (5.90177e-09% change) linmin: converged after 15 iterations. iteration 1214: trace = 2.451789434881218 (9.62173e-10% change) large trace change predicted (3.17579e-09%) linmin: converged after 4 iterations. iteration 1215: trace = 2.451789434803358 (3.17567e-09% change) linmin: converged after 4 iterations. iteration 1216: trace = 2.451789434739968 (2.58545e-09% change) linmin: converged after 21 iterations. iteration 1217: trace = 2.451789434713268 (1.08898e-09% change) large trace change predicted (4.89033e-09%) linmin: converged after 2 iterations. iteration 1218: trace = 2.451789434593366 (4.8904e-09% change) linmin: converged after 3 iterations. iteration 1219: trace = 2.45178943447074 (5.0015e-09% change) linmin: converged after 24 iterations. iteration 1220: trace = 2.451789434357741 (4.60882e-09% change) linmin: converged after 11 iterations. iteration 1221: trace = 2.451789434267978 (3.66113e-09% change) large trace change predicted (1.03021e-08%) linmin: converged after 4 iterations. iteration 1222: trace = 2.451789434015397 (1.03019e-08% change) linmin: converged after 4 iterations. iteration 1223: trace = 2.451789433696972 (1.29874e-08% change) linmin: converged after 17 iterations. iteration 1224: trace = 2.451789433552949 (5.87422e-09% change) linmin: converged after 18 iterations. iteration 1225: trace = 2.451789433334862 (8.89501e-09% change) linmin: converged after 16 iterations. iteration 1226: trace = 2.451789433006891 (1.33768e-08% change) linmin: converged after 19 iterations. iteration 1227: trace = 2.451789432888533 (4.8274e-09% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.451789432857472 (1.26685e-09% change) linmin: converged after 5 iterations. iteration 1229: trace = 2.451789432798414 (2.40878e-09% change) linmin: converged after 9 iterations. iteration 1230: trace = 2.451789432764895 (1.36714e-09% change) linmin: converged after 11 iterations. iteration 1231: trace = 2.451789432735394 (1.20322e-09% change) large trace change predicted (3.08777e-09%) linmin: converged after 7 iterations. iteration 1232: trace = 2.45178943265969 (3.08774e-09% change) linmin: converged after 15 iterations. iteration 1233: trace = 2.45178943258334 (3.11405e-09% change) linmin: converged after 22 iterations. iteration 1234: trace = 2.451789432553883 (1.20144e-09% change) large trace change predicted (6.79587e-09%) linmin: converged after 28 iterations. iteration 1235: trace = 2.451789432387259 (6.79602e-09% change) linmin: converged after 31 iterations. iteration 1236: trace = 2.451789432301247 (3.5081e-09% change) linmin: converged after 4 iterations. iteration 1237: trace = 2.451789432131185 (6.93625e-09% change) linmin: converged after 24 iterations. iteration 1238: trace = 2.451789431936088 (7.95732e-09% change) linmin: converged after 2 iterations. iteration 1239: trace = 2.451789431839116 (3.95516e-09% change) linmin: converged after 2 iterations. iteration 1240: trace = 2.451789431722921 (4.73921e-09% change) linmin: converged after 14 iterations. iteration 1241: trace = 2.451789431521154 (8.22938e-09% change) linmin: converged after 15 iterations. iteration 1242: trace = 2.451789431440544 (3.28777e-09% change) linmin: converged after 5 iterations. iteration 1243: trace = 2.45178943129167 (6.07208e-09% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.451789431119233 (7.0331e-09% change) linmin: converged after 18 iterations. iteration 1245: trace = 2.45178943107434 (1.83101e-09% change) large trace change predicted (5.58916e-09%) linmin: converged after 6 iterations. iteration 1246: trace = 2.451789430937306 (5.58918e-09% change) linmin: converged after 22 iterations. iteration 1247: trace = 2.451789430836432 (4.1143e-09% change) linmin: converged after 5 iterations. iteration 1248: trace = 2.451789430763661 (2.96805e-09% change) linmin: converged after 7 iterations. iteration 1249: trace = 2.451789430731146 (1.32619e-09% change) large trace change predicted (3.85144e-09%) linmin: converged after 6 iterations. iteration 1250: trace = 2.451789430636717 (3.85143e-09% change) linmin: converged after 7 iterations. iteration 1251: trace = 2.451789430524508 (4.57663e-09% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.45178943050049 (9.79616e-10% change) large trace change predicted (5.12696e-09%) linmin: converged after 7 iterations. iteration 1253: trace = 2.451789430374786 (5.12703e-09% change) linmin: converged after 9 iterations. iteration 1254: trace = 2.451789430219521 (6.33271e-09% change) linmin: converged after 24 iterations. iteration 1255: trace = 2.451789430140737 (3.21331e-09% change) large trace change predicted (1.58627e-08%) linmin: converged after 2 iterations. iteration 1256: trace = 2.45178942975182 (1.58626e-08% change) linmin: converged after 16 iterations. iteration 1257: trace = 2.451789429588243 (6.67173e-09% change) linmin: converged after 3 iterations. iteration 1258: trace = 2.451789429446933 (5.76353e-09% change) large trace change predicted (2.40766e-08%) linmin: converged after 7 iterations. iteration 1259: trace = 2.451789428856623 (2.40767e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.451789428379108 (1.94762e-08% change) linmin: converged after 24 iterations. iteration 1261: trace = 2.451789428292885 (3.51674e-09% change) linmin: converged after 21 iterations. iteration 1262: trace = 2.451789428123229 (6.91969e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.451789427827525 (1.20607e-08% change) linmin: converged after 4 iterations. iteration 1264: trace = 2.451789427769957 (2.34799e-09% change) large trace change predicted (5.20359e-09%) linmin: converged after 20 iterations. iteration 1265: trace = 2.451789427642376 (5.20357e-09% change) linmin: converged after 3 iterations. iteration 1266: trace = 2.451789427556736 (3.49296e-09% change) linmin: converged after 4 iterations. iteration 1267: trace = 2.451789427538553 (7.41649e-10% change) large trace change predicted (3.0906e-09%) linmin: converged after 6 iterations. iteration 1268: trace = 2.45178942746278 (3.09053e-09% change) linmin: converged after 4 iterations. iteration 1269: trace = 2.451789427409696 (2.16508e-09% change) linmin: converged after 10 iterations. iteration 1270: trace = 2.451789427387325 (9.12435e-10% change) linmin: converged after 22 iterations. iteration 1271: trace = 2.451789427345755 (1.69551e-09% change) linmin: converged after 19 iterations. iteration 1272: trace = 2.451789427301454 (1.80687e-09% change) linmin: converged after 7 iterations. iteration 1273: trace = 2.451789427277019 (9.96642e-10% change) large trace change predicted (3.61819e-09%) linmin: converged after 25 iterations. iteration 1274: trace = 2.451789427188312 (3.61804e-09% change) linmin: converged after 6 iterations. iteration 1275: trace = 2.451789427104732 (3.40895e-09% change) linmin: converged after 12 iterations. iteration 1276: trace = 2.451789427067474 (1.5196e-09% change) large trace change predicted (3.7725e-09%) linmin: converged after 30 iterations. iteration 1277: trace = 2.451789426974981 (3.77247e-09% change) linmin: converged after 19 iterations. iteration 1278: trace = 2.451789426886685 (3.60131e-09% change) linmin: converged after 18 iterations. iteration 1279: trace = 2.451789426855997 (1.25163e-09% change) large trace change predicted (3.21873e-09%) linmin: converged after 23 iterations. iteration 1280: trace = 2.451789426777082 (3.21869e-09% change) linmin: converged after 4 iterations. iteration 1281: trace = 2.451789426675311 (4.15087e-09% change) linmin: converged after 9 iterations. iteration 1282: trace = 2.451789426652206 (9.42394e-10% change) large trace change predicted (4.15518e-09%) linmin: converged after 4 iterations. iteration 1283: trace = 2.451789426550331 (4.15513e-09% change) linmin: converged after 19 iterations. iteration 1284: trace = 2.451789426493461 (2.31953e-09% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.451789426461265 (1.31315e-09% change) linmin: converged after 6 iterations. iteration 1286: trace = 2.451789426430333 (1.26162e-09% change) linmin: converged after 16 iterations. iteration 1287: trace = 2.451789426389659 (1.65894e-09% change) linmin: converged after 12 iterations. iteration 1288: trace = 2.451789426383331 (2.58126e-10% change) large trace change predicted (8.90228e-10%) linmin: converged after 7 iterations. iteration 1289: trace = 2.451789426361502 (8.90301e-10% change) linmin: converged after 16 iterations. iteration 1290: trace = 2.451789426338924 (9.20876e-10% change) linmin: converged after 2 iterations. iteration 1291: trace = 2.45178942633073 (3.342e-10% change) large trace change predicted (1.92757e-09%) linmin: converged after 4 iterations. iteration 1292: trace = 2.451789426283468 (1.92766e-09% change) linmin: converged after 19 iterations. iteration 1293: trace = 2.451789426194652 (3.6225e-09% change) linmin: converged after 5 iterations. iteration 1294: trace = 2.451789426103259 (3.72763e-09% change) linmin: converged after 16 iterations. iteration 1295: trace = 2.451789426067078 (1.47569e-09% change) large trace change predicted (5.55816e-09%) linmin: converged after 7 iterations. iteration 1296: trace = 2.451789425930798 (5.55837e-09% change) linmin: converged after 7 iterations. iteration 1297: trace = 2.451789425838819 (3.75154e-09% change) linmin: converged after 2 iterations. iteration 1298: trace = 2.451789425817384 (8.74235e-10% change) large trace change predicted (1.7951e-09%) linmin: converged after 17 iterations. iteration 1299: trace = 2.451789425773376 (1.79495e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.451789425736601 (1.49991e-09% change) linmin: converged after 8 iterations. iteration 1301: trace = 2.451789425721344 (6.22285e-10% change) large trace change predicted (1.47483e-09%) linmin: converged after 3 iterations. iteration 1302: trace = 2.451789425685182 (1.47493e-09% change) linmin: converged after 9 iterations. iteration 1303: trace = 2.451789425662749 (9.14953e-10% change) linmin: converged after 5 iterations. iteration 1304: trace = 2.451789425643686 (7.77531e-10% change) linmin: converged after 4 iterations. iteration 1305: trace = 2.45178942563422 (3.86094e-10% change) large trace change predicted (1.52913e-09%) linmin: converged after 5 iterations. iteration 1306: trace = 2.45178942559673 (1.52907e-09% change) linmin: converged after 10 iterations. iteration 1307: trace = 2.451789425586465 (4.18697e-10% change) large trace change predicted (9.5648e-10%) linmin: converged after 2 iterations. iteration 1308: trace = 2.451789425563012 (9.5654e-10% change) linmin: converged after 2 iterations. iteration 1309: trace = 2.451789425534362 (1.16855e-09% change) linmin: converged after 3 iterations. iteration 1310: trace = 2.451789425524134 (4.17139e-10% change) large trace change predicted (2.13933e-09%) linmin: converged after 3 iterations. iteration 1311: trace = 2.451789425471684 (2.13927e-09% change) linmin: converged after 3 iterations. iteration 1312: trace = 2.451789425431605 (1.63469e-09% change) linmin: converged after 15 iterations. iteration 1313: trace = 2.451789425410803 (8.48443e-10% change) large trace change predicted (2.72865e-09%) linmin: converged after 18 iterations. iteration 1314: trace = 2.451789425343902 (2.72865e-09% change) linmin: converged after 3 iterations. iteration 1315: trace = 2.451789425283307 (2.47146e-09% change) linmin: converged after 4 iterations. iteration 1316: trace = 2.451789425267598 (6.40724e-10% change) large trace change predicted (1.84938e-09%) linmin: converged after 18 iterations. iteration 1317: trace = 2.451789425222254 (1.84943e-09% change) linmin: converged after 2 iterations. iteration 1318: trace = 2.451789425189775 (1.3247e-09% change) linmin: converged after 3 iterations. iteration 1319: trace = 2.4517894251737 (6.55613e-10% change) linmin: converged after 15 iterations. iteration 1320: trace = 2.451789425154975 (7.63729e-10% change) linmin: converged after 2 iterations. iteration 1321: trace = 2.451789425126667 (1.1546e-09% change) linmin: converged after 3 iterations. iteration 1322: trace = 2.451789425108425 (7.4404e-10% change) linmin: converged after 8 iterations. iteration 1323: trace = 2.451789425098407 (4.08572e-10% change) linmin: converged after 8 iterations. iteration 1324: trace = 2.451789425084184 (5.80119e-10% change) linmin: converged after 2 iterations. iteration 1325: trace = 2.451789425063255 (8.53605e-10% change) linmin: converged after 6 iterations. iteration 1326: trace = 2.451789425056839 (2.61713e-10% change) linmin: converged after 5 iterations. iteration 1327: trace = 2.451789425047832 (3.67365e-10% change) linmin: converged after 3 iterations. iteration 1328: trace = 2.451789425036651 (4.56046e-10% change) linmin: converged after 13 iterations. iteration 1329: trace = 2.451789425031384 (2.14819e-10% change) resetting CG direction... linmin: converged after 2 iterations. iteration 1330: trace = 2.451789425026402 (2.03172e-10% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.451789425016593 (4.00077e-10% change) linmin: converged after 9 iterations. iteration 1332: trace = 2.451789425010061 (2.6644e-10% change) linmin: converged after 5 iterations. iteration 1333: trace = 2.451789425002254 (3.18424e-10% change) large trace change predicted (7.97431e-10%) linmin: converged after 4 iterations. iteration 1334: trace = 2.451789424982703 (7.97401e-10% change) linmin: converged after 3 iterations. iteration 1335: trace = 2.451789424972215 (4.27771e-10% change) linmin: converged after 4 iterations. iteration 1336: trace = 2.451789424958625 (5.54308e-10% change) linmin: converged after 3 iterations. iteration 1337: trace = 2.45178942494128 (7.07434e-10% change) linmin: converged after 15 iterations. iteration 1338: trace = 2.451789424926077 (6.20058e-10% change) linmin: converged after 15 iterations. iteration 1339: trace = 2.451789424912029 (5.72964e-10% change) linmin: converged after 13 iterations. iteration 1340: trace = 2.451789424884935 (1.10508e-09% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.451789424872765 (4.96383e-10% change) linmin: converged after 16 iterations. iteration 1342: trace = 2.451789424848576 (9.86589e-10% change) linmin: converged after 17 iterations. iteration 1343: trace = 2.451789424808531 (1.63327e-09% change) linmin: converged after 5 iterations. iteration 1344: trace = 2.451789424772227 (1.48071e-09% change) linmin: converged after 4 iterations. iteration 1345: trace = 2.451789424748269 (9.77171e-10% change) large trace change predicted (2.167e-09%) linmin: converged after 2 iterations. iteration 1346: trace = 2.451789424695141 (2.16691e-09% change) linmin: converged after 7 iterations. iteration 1347: trace = 2.451789424658118 (1.51003e-09% change) linmin: converged after 3 iterations. iteration 1348: trace = 2.451789424647823 (4.19892e-10% change) large trace change predicted (1.61363e-09%) linmin: converged after 17 iterations. iteration 1349: trace = 2.451789424608258 (1.61373e-09% change) linmin: converged after 2 iterations. iteration 1350: trace = 2.451789424591985 (6.63728e-10% change) linmin: converged after 3 iterations. iteration 1351: trace = 2.451789424579163 (5.22973e-10% change) linmin: converged after 4 iterations. iteration 1352: trace = 2.451789424562327 (6.86677e-10% change) linmin: converged after 21 iterations. iteration 1353: trace = 2.451789424536434 (1.05607e-09% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.45178942453202 (1.80024e-10% change) large trace change predicted (7.29568e-10%) linmin: converged after 14 iterations. iteration 1355: trace = 2.451789424514134 (7.29514e-10% change) linmin: converged after 22 iterations. iteration 1356: trace = 2.451789424503403 (4.37697e-10% change) linmin: converged after 12 iterations. iteration 1357: trace = 2.451789424496385 (2.86238e-10% change) large trace change predicted (1.01752e-09%) linmin: converged after 2 iterations. iteration 1358: trace = 2.451789424471436 (1.0176e-09% change) linmin: converged after 2 iterations. iteration 1359: trace = 2.451789424457727 (5.59108e-10% change) linmin: converged after 4 iterations. iteration 1360: trace = 2.451789424441401 (6.65901e-10% change) large trace change predicted (1.5215e-09%) linmin: converged after 20 iterations. iteration 1361: trace = 2.4517894244041 (1.52139e-09% change) linmin: converged after 16 iterations. iteration 1362: trace = 2.451789424350351 (2.19222e-09% change) linmin: converged after 22 iterations. iteration 1363: trace = 2.451789424295335 (2.24393e-09% change) linmin: converged after 6 iterations. iteration 1364: trace = 2.451789424267806 (1.12278e-09% change) linmin: converged after 3 iterations. iteration 1365: trace = 2.451789424216301 (2.10075e-09% change) linmin: converged after 24 iterations. iteration 1366: trace = 2.451789424151033 (2.66203e-09% change) linmin: converged after 5 iterations. iteration 1367: trace = 2.451789424137584 (5.48548e-10% change) linmin: converged after 10 iterations. iteration 1368: trace = 2.451789424118441 (7.80773e-10% change) linmin: converged after 14 iterations. iteration 1369: trace = 2.451789424105455 (5.29656e-10% change) linmin: converged after 3 iterations. iteration 1370: trace = 2.451789424096591 (3.61551e-10% change) linmin: converged after 15 iterations. iteration 1371: trace = 2.451789424092687 (1.59212e-10% change) large trace change predicted (5.1949e-10%) linmin: converged after 3 iterations. iteration 1372: trace = 2.45178942407995 (5.19495e-10% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.451789424069264 (4.3585e-10% change) linmin: converged after 12 iterations. iteration 1374: trace = 2.451789424058148 (4.53383e-10% change) large trace change predicted (1.53044e-09%) linmin: converged after 25 iterations. iteration 1375: trace = 2.451789424020625 (1.53043e-09% change) linmin: converged after 4 iterations. iteration 1376: trace = 2.451789424009109 (4.69685e-10% change) large trace change predicted (1.6032e-09%) linmin: converged after 4 iterations. iteration 1377: trace = 2.451789423969804 (1.60313e-09% change) linmin: converged after 4 iterations. iteration 1378: trace = 2.451789423931909 (1.54561e-09% change) linmin: converged after 4 iterations. iteration 1379: trace = 2.451789423911547 (8.30511e-10% change) linmin: converged after 4 iterations. iteration 1380: trace = 2.451789423887948 (9.62499e-10% change) linmin: converged after 7 iterations. iteration 1381: trace = 2.451789423845258 (1.74119e-09% change) linmin: converged after 3 iterations. iteration 1382: trace = 2.451789423825225 (8.17053e-10% change) linmin: converged after 4 iterations. iteration 1383: trace = 2.451789423797294 (1.13921e-09% change) linmin: converged after 4 iterations. iteration 1384: trace = 2.451789423762372 (1.42438e-09% change) linmin: converged after 4 iterations. iteration 1385: trace = 2.451789423751556 (4.41139e-10% change) large trace change predicted (9.92415e-10%) linmin: converged after 11 iterations. iteration 1386: trace = 2.451789423727223 (9.92458e-10% change) linmin: converged after 3 iterations. iteration 1387: trace = 2.451789423706326 (8.52319e-10% change) linmin: converged after 15 iterations. iteration 1388: trace = 2.45178942369586 (4.26866e-10% change) linmin: converged after 13 iterations. iteration 1389: trace = 2.451789423685949 (4.04225e-10% change) linmin: converged after 16 iterations. iteration 1390: trace = 2.451789423666368 (7.98668e-10% change) linmin: converged after 2 iterations. iteration 1391: trace = 2.451789423645899 (8.34858e-10% change) linmin: converged after 7 iterations. iteration 1392: trace = 2.451789423639723 (2.51877e-10% change) large trace change predicted (1.12882e-09%) linmin: converged after 3 iterations. iteration 1393: trace = 2.451789423612047 (1.12883e-09% change) linmin: converged after 5 iterations. iteration 1394: trace = 2.451789423580614 (1.28203e-09% change) linmin: converged after 9 iterations. iteration 1395: trace = 2.451789423565915 (5.99518e-10% change) large trace change predicted (3.14984e-09%) linmin: converged after 2 iterations. iteration 1396: trace = 2.451789423488688 (3.14983e-09% change) linmin: converged after 9 iterations. iteration 1397: trace = 2.451789423445791 (1.74961e-09% change) linmin: converged after 16 iterations. iteration 1398: trace = 2.451789423428728 (6.9595e-10% change) large trace change predicted (4.55222e-09%) linmin: converged after 18 iterations. iteration 1399: trace = 2.451789423317114 (4.55234e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1400: trace = 2.45178942322682 (3.68278e-09% change) linmin: converged after 18 iterations. iteration 1401: trace = 2.451789423212356 (5.89954e-10% change) large trace change predicted (1.63868e-09%) linmin: converged after 3 iterations. iteration 1402: trace = 2.45178942317218 (1.63862e-09% change) linmin: converged after 3 iterations. iteration 1403: trace = 2.45178942311541 (2.31544e-09% change) linmin: converged after 7 iterations. iteration 1404: trace = 2.451789423103856 (4.71279e-10% change) large trace change predicted (1.0712e-09%) linmin: converged after 2 iterations. iteration 1405: trace = 2.451789423077589 (1.07132e-09% change) linmin: converged after 6 iterations. iteration 1406: trace = 2.451789423059963 (7.18899e-10% change) linmin: converged after 3 iterations. iteration 1407: trace = 2.451789423055987 (1.62164e-10% change) large trace change predicted (5.94047e-10%) linmin: converged after 3 iterations. iteration 1408: trace = 2.451789423041421 (5.9412e-10% change) linmin: converged after 21 iterations. iteration 1409: trace = 2.451789423035884 (2.25813e-10% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.451789423026342 (3.89209e-10% change) linmin: converged after 9 iterations. iteration 1411: trace = 2.451789423016263 (4.11089e-10% change) linmin: converged after 4 iterations. iteration 1412: trace = 2.451789423004644 (4.73869e-10% change) linmin: converged after 3 iterations. iteration 1413: trace = 2.451789422999864 (1.94967e-10% change) large trace change predicted (6.2102e-10%) linmin: converged after 10 iterations. iteration 1414: trace = 2.451789422984635 (6.21144e-10% change) linmin: converged after 24 iterations. iteration 1415: trace = 2.451789422964539 (8.19661e-10% change) linmin: converged after 3 iterations. iteration 1416: trace = 2.451789422951064 (5.4958e-10% change) linmin: converged after 2 iterations. iteration 1417: trace = 2.45178942293871 (5.03882e-10% change) linmin: converged after 17 iterations. iteration 1418: trace = 2.451789422916927 (8.88454e-10% change) linmin: converged after 12 iterations. iteration 1419: trace = 2.451789422905359 (4.7184e-10% change) linmin: converged after 6 iterations. iteration 1420: trace = 2.451789422896341 (3.678e-10% change) large trace change predicted (8.38613e-10%) linmin: converged after 18 iterations. iteration 1421: trace = 2.451789422875778 (8.38698e-10% change) linmin: converged after 3 iterations. iteration 1422: trace = 2.451789422867521 (3.36772e-10% change) linmin: converged after 10 iterations. iteration 1423: trace = 2.4517894228527 (6.04481e-10% change) linmin: converged after 19 iterations. iteration 1424: trace = 2.451789422834906 (7.25782e-10% change) linmin: converged after 4 iterations. iteration 1425: trace = 2.451789422830581 (1.76365e-10% change) linmin: converged after 6 iterations. iteration 1426: trace = 2.451789422826161 (1.80295e-10% change) linmin: converged after 12 iterations. iteration 1427: trace = 2.45178942281844 (3.1491e-10% change) linmin: converged after 5 iterations. iteration 1428: trace = 2.451789422816662 (7.25058e-11% change) Finished solving for bands 1 to 10 after 1428 iterations. tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287 elapsed time for k point: 11.978967189788818 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.528836134270658 (1.93409% change) linmin: converged after 4 iterations. iteration 2: trace = 2.510710810567917 (0.719324% change) linmin: converged after 4 iterations. iteration 3: trace = 2.494945478224396 (0.629901% change) linmin: converged after 4 iterations. iteration 4: trace = 2.491433619084531 (0.140858% change) large trace change predicted (0.375525%) linmin: converged after 9 iterations. iteration 5: trace = 2.481386223449483 (0.404092% change) linmin: converged after 4 iterations. iteration 6: trace = 2.478821683400874 (0.103405% change) linmin: converged after 4 iterations. iteration 7: trace = 2.475784108910963 (0.122616% change) linmin: converged after 4 iterations. iteration 8: trace = 2.47342152895137 (0.0954731% change) linmin: converged after 4 iterations. iteration 9: trace = 2.472471533890234 (0.0384155% change) linmin: converged after 4 iterations. iteration 10: trace = 2.47106907132682 (0.0567392% change) linmin: converged after 4 iterations. iteration 11: trace = 2.470689308827395 (0.0153695% change) large trace change predicted (0.0415688%) linmin: converged after 4 iterations. iteration 12: trace = 2.469653285759598 (0.0419413% change) linmin: converged after 4 iterations. iteration 13: trace = 2.469044058138818 (0.0246716% change) linmin: converged after 3 iterations. iteration 14: trace = 2.468577431161618 (0.0189009% change) linmin: converged after 4 iterations. iteration 15: trace = 2.467728655941253 (0.0343891% change) linmin: converged after 3 iterations. iteration 16: trace = 2.467452972912819 (0.0111722% change) large trace change predicted (0.0408236%) linmin: converged after 4 iterations. iteration 17: trace = 2.466432198644252 (0.0413781% change) linmin: converged after 4 iterations. iteration 18: trace = 2.46614376303753 (0.0116951% change) linmin: converged after 4 iterations. iteration 19: trace = 2.465689780835783 (0.0184103% change) linmin: converged after 4 iterations. iteration 20: trace = 2.465064628931712 (0.0253573% change) linmin: converged after 3 iterations. iteration 21: trace = 2.464844088512526 (0.00894704% change) large trace change predicted (0.0298107%) linmin: converged after 4 iterations. iteration 22: trace = 2.464107093730162 (0.0299047% change) linmin: converged after 5 iterations. iteration 23: trace = 2.463924821317125 (0.00739737% change) large trace change predicted (0.0205069%) linmin: converged after 3 iterations. iteration 24: trace = 2.463417676466141 (0.0205849% change) linmin: converged after 4 iterations. iteration 25: trace = 2.462917918886174 (0.0202892% change) linmin: converged after 4 iterations. iteration 26: trace = 2.462692793520248 (0.00914101% change) large trace change predicted (0.0279874%) linmin: converged after 4 iterations. iteration 27: trace = 2.462009410704481 (0.0277533% change) linmin: converged after 4 iterations. iteration 28: trace = 2.461750459728039 (0.0105184% change) large trace change predicted (0.0224555%) linmin: converged after 4 iterations. iteration 29: trace = 2.461203449306537 (0.0222229% change) linmin: converged after 4 iterations. iteration 30: trace = 2.460687241316449 (0.020976% change) linmin: converged after 4 iterations. iteration 31: trace = 2.460471967293356 (0.00874892% change) large trace change predicted (0.0259488%) linmin: converged after 4 iterations. iteration 32: trace = 2.459845011813007 (0.0254844% change) linmin: converged after 4 iterations. iteration 33: trace = 2.459427659459783 (0.0169681% change) linmin: converged after 4 iterations. iteration 34: trace = 2.459157455079938 (0.0109871% change) large trace change predicted (0.0241658%) linmin: converged after 6 iterations. iteration 35: trace = 2.458586709943367 (0.0232117% change) linmin: converged after 3 iterations. iteration 36: trace = 2.458222137346353 (0.0148296% change) linmin: converged after 4 iterations. iteration 37: trace = 2.45785999435421 (0.014733% change) linmin: converged after 8 iterations. iteration 38: trace = 2.457513632981111 (0.014093% change) linmin: converged after 4 iterations. iteration 39: trace = 2.457345367945684 (0.0068472% change) linmin: converged after 5 iterations. iteration 40: trace = 2.457030159100321 (0.012828% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456936972282718 (0.00379273% change) linmin: converged after 4 iterations. iteration 42: trace = 2.456770588243581 (0.00677224% change) linmin: converged after 4 iterations. iteration 43: trace = 2.456644639654053 (0.00512672% change) linmin: converged after 4 iterations. iteration 44: trace = 2.456574678584251 (0.00284787% change) large trace change predicted (0.00679001%) linmin: converged after 4 iterations. iteration 45: trace = 2.456409643090212 (0.00671834% change) linmin: converged after 4 iterations. iteration 46: trace = 2.456322083882434 (0.00356458% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456237757309787 (0.0034331% change) linmin: converged after 3 iterations. iteration 48: trace = 2.456190236781592 (0.00193471% change) large trace change predicted (0.00555275%) linmin: converged after 4 iterations. iteration 49: trace = 2.456054113877792 (0.00554219% change) linmin: converged after 4 iterations. iteration 50: trace = 2.456008216708386 (0.00186875% change) large trace change predicted (0.00438811%) linmin: converged after 4 iterations. iteration 51: trace = 2.455900264779816 (0.00439552% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455832002640181 (0.00277955% change) linmin: converged after 3 iterations. iteration 53: trace = 2.455712148285059 (0.00488052% change) linmin: converged after 3 iterations. iteration 54: trace = 2.45566480562526 (0.00192788% change) large trace change predicted (0.00469265%) linmin: converged after 3 iterations. iteration 55: trace = 2.455549041362796 (0.00471428% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455472533590854 (0.00311576% change) linmin: converged after 4 iterations. iteration 57: trace = 2.455355048982745 (0.00478472% change) linmin: converged after 4 iterations. iteration 58: trace = 2.455240128514053 (0.00468051% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455056447621675 (0.00748146% change) linmin: converged after 3 iterations. iteration 60: trace = 2.454878655275191 (0.00724215% change) linmin: converged after 3 iterations. iteration 61: trace = 2.454746446845817 (0.00538568% change) linmin: converged after 3 iterations. iteration 62: trace = 2.454558467425849 (0.00765809% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454455967076481 (0.00417601% change) large trace change predicted (0.00930712%) linmin: converged after 4 iterations. iteration 64: trace = 2.454225787170495 (0.00937848% change) linmin: converged after 3 iterations. iteration 65: trace = 2.454124726566585 (0.0041179% change) linmin: converged after 3 iterations. iteration 66: trace = 2.45393768415976 (0.00762184% change) linmin: converged after 5 iterations. iteration 67: trace = 2.453808635086515 (0.005259% change) linmin: converged after 6 iterations. iteration 68: trace = 2.4536224657201 (0.00758724% change) linmin: converged after 3 iterations. iteration 69: trace = 2.453501999729609 (0.00490984% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.453442737777944 (0.00241543% change) large trace change predicted (0.0062458%) linmin: converged after 4 iterations. iteration 71: trace = 2.453289568241044 (0.00624324% change) linmin: converged after 4 iterations. iteration 72: trace = 2.453139306423369 (0.0061251% change) linmin: converged after 3 iterations. iteration 73: trace = 2.453047313953293 (0.00375006% change) large trace change predicted (0.00966974%) linmin: converged after 4 iterations. iteration 74: trace = 2.452810838247347 (0.00964054% change) linmin: converged after 4 iterations. iteration 75: trace = 2.452613248556677 (0.00805597% change) linmin: converged after 6 iterations. iteration 76: trace = 2.452556218941359 (0.00232529% change) large trace change predicted (0.00551883%) linmin: converged after 4 iterations. iteration 77: trace = 2.452421478379425 (0.00549403% change) linmin: converged after 4 iterations. iteration 78: trace = 2.452337884184689 (0.0034087% change) linmin: converged after 4 iterations. iteration 79: trace = 2.452304255799918 (0.00137129% change) large trace change predicted (0.00452288%) linmin: converged after 4 iterations. iteration 80: trace = 2.452193445071391 (0.00451874% change) linmin: converged after 3 iterations. iteration 81: trace = 2.452083136881207 (0.00449845% change) linmin: converged after 7 iterations. iteration 82: trace = 2.452049770136486 (0.00136076% change) large trace change predicted (0.0042555%) linmin: converged after 6 iterations. iteration 83: trace = 2.451945081868034 (0.00426951% change) linmin: converged after 3 iterations. iteration 84: trace = 2.451875788529541 (0.0028261% change) linmin: converged after 3 iterations. iteration 85: trace = 2.451838601374629 (0.00151669% change) large trace change predicted (0.00517262%) linmin: converged after 3 iterations. iteration 86: trace = 2.451711203848058 (0.00519613% change) linmin: converged after 3 iterations. iteration 87: trace = 2.451670300587416 (0.00166837% change) linmin: converged after 3 iterations. iteration 88: trace = 2.451615303884502 (0.00224326% change) linmin: converged after 3 iterations. iteration 89: trace = 2.451565394548157 (0.00203579% change) linmin: converged after 3 iterations. iteration 90: trace = 2.451542779719338 (0.000922469% change) large trace change predicted (0.00192441%) linmin: converged after 3 iterations. iteration 91: trace = 2.451495500035742 (0.00192859% change) linmin: converged after 3 iterations. iteration 92: trace = 2.451437382440417 (0.00237073% change) linmin: converged after 8 iterations. iteration 93: trace = 2.451416418763382 (0.000855162% change) linmin: converged after 3 iterations. iteration 94: trace = 2.451379675107484 (0.00149889% change) linmin: converged after 3 iterations. iteration 95: trace = 2.451330789677618 (0.00199422% change) linmin: converged after 4 iterations. iteration 96: trace = 2.451319966066881 (0.000441541% change) large trace change predicted (0.00157751%) linmin: converged after 3 iterations. iteration 97: trace = 2.451281182459109 (0.00158216% change) linmin: converged after 3 iterations. iteration 98: trace = 2.451251800497511 (0.00119864% change) linmin: converged after 3 iterations. iteration 99: trace = 2.451242344896484 (0.000385747% change) large trace change predicted (0.00130213%) linmin: converged after 3 iterations. iteration 100: trace = 2.451210407991036 (0.00130289% change) linmin: converged after 3 iterations. iteration 101: trace = 2.451185124632041 (0.00103147% change) linmin: converged after 5 iterations. iteration 102: trace = 2.451169451345729 (0.000639419% change) large trace change predicted (0.00233857%) linmin: converged after 6 iterations. iteration 103: trace = 2.451112170428599 (0.00233691% change) linmin: converged after 4 iterations. iteration 104: trace = 2.451069633666593 (0.00173542% change) linmin: converged after 3 iterations. iteration 105: trace = 2.45101419436472 (0.00226187% change) linmin: converged after 4 iterations. iteration 106: trace = 2.450936180186137 (0.00318299% change) linmin: converged after 3 iterations. iteration 107: trace = 2.450891384751166 (0.0018277% change) linmin: converged after 4 iterations. iteration 108: trace = 2.450830392263574 (0.00248861% change) linmin: converged after 3 iterations. iteration 109: trace = 2.450789550353348 (0.00166647% change) linmin: converged after 5 iterations. iteration 110: trace = 2.450776635805771 (0.000526956% change) large trace change predicted (0.00118372%) linmin: converged after 4 iterations. iteration 111: trace = 2.450747619874162 (0.00118396% change) linmin: converged after 3 iterations. iteration 112: trace = 2.450708423724478 (0.00159937% change) linmin: converged after 3 iterations. iteration 113: trace = 2.450695634228722 (0.000521871% change) large trace change predicted (0.00227149%) linmin: converged after 3 iterations. iteration 114: trace = 2.450639896131186 (0.0022744% change) linmin: converged after 3 iterations. iteration 115: trace = 2.450616660757847 (0.000948139% change) linmin: converged after 4 iterations. iteration 116: trace = 2.450596720659853 (0.00081368% change) linmin: converged after 3 iterations. iteration 117: trace = 2.450567520338584 (0.00119157% change) linmin: converged after 5 iterations. iteration 118: trace = 2.450559845694543 (0.000313179% change) linmin: converged after 4 iterations. iteration 119: trace = 2.450544542488024 (0.00062448% change) linmin: converged after 3 iterations. iteration 120: trace = 2.450517955683939 (0.00108494% change) linmin: converged after 3 iterations. iteration 121: trace = 2.450507948005563 (0.000408391% change) large trace change predicted (0.00138501%) linmin: converged after 6 iterations. iteration 122: trace = 2.450474036353508 (0.00138387% change) linmin: converged after 4 iterations. iteration 123: trace = 2.450413225406624 (0.00248163% change) linmin: converged after 4 iterations. iteration 124: trace = 2.450399681485597 (0.000552721% change) large trace change predicted (0.00263766%) linmin: converged after 4 iterations. iteration 125: trace = 2.450335181533825 (0.00263226% change) linmin: converged after 5 iterations. iteration 126: trace = 2.450316111935002 (0.000778248% change) large trace change predicted (0.00253353%) linmin: converged after 4 iterations. iteration 127: trace = 2.450254091458041 (0.00253115% change) linmin: converged after 3 iterations. iteration 128: trace = 2.450208039654496 (0.00187949% change) linmin: converged after 4 iterations. iteration 129: trace = 2.450189708812981 (0.000748137% change) large trace change predicted (0.0021763%) linmin: converged after 4 iterations. iteration 130: trace = 2.450136474059319 (0.0021727% change) linmin: converged after 3 iterations. iteration 131: trace = 2.450076349204774 (0.00245397% change) linmin: converged after 4 iterations. iteration 132: trace = 2.450058513417881 (0.000727971% change) linmin: converged after 4 iterations. iteration 133: trace = 2.450024248881852 (0.00139853% change) linmin: converged after 6 iterations. iteration 134: trace = 2.449978331020753 (0.0018742% change) linmin: converged after 3 iterations. iteration 135: trace = 2.449968683814162 (0.000393768% change) large trace change predicted (0.00120393%) linmin: converged after 4 iterations. iteration 136: trace = 2.44993918183586 (0.00120419% change) linmin: converged after 4 iterations. iteration 137: trace = 2.44991956824943 (0.000800578% change) linmin: converged after 4 iterations. iteration 138: trace = 2.449912819881661 (0.000275453% change) linmin: converged after 3 iterations. iteration 139: trace = 2.449900501589036 (0.000502807% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.449894807456253 (0.000232423% change) linmin: converged after 3 iterations. iteration 141: trace = 2.44989218038971 (0.000107232% change) large trace change predicted (0.000347579%) linmin: converged after 4 iterations. iteration 142: trace = 2.449883664285972 (0.000347612% change) linmin: converged after 3 iterations. iteration 143: trace = 2.449876668837769 (0.000285542% change) linmin: converged after 4 iterations. iteration 144: trace = 2.449872015836894 (0.000189928% change) large trace change predicted (0.00069959%) linmin: converged after 4 iterations. iteration 145: trace = 2.449854848356567 (0.000700753% change) linmin: converged after 4 iterations. iteration 146: trace = 2.449848307803675 (0.000266978% change) linmin: converged after 3 iterations. iteration 147: trace = 2.449839702844577 (0.000351245% change) linmin: converged after 3 iterations. iteration 148: trace = 2.449826658581972 (0.000532455% change) linmin: converged after 3 iterations. iteration 149: trace = 2.449819979284587 (0.000272644% change) linmin: converged after 3 iterations. iteration 150: trace = 2.449813505447425 (0.000264258% change) linmin: converged after 3 iterations. iteration 151: trace = 2.449804579850275 (0.000364338% change) linmin: converged after 3 iterations. iteration 152: trace = 2.449797600286897 (0.000284903% change) linmin: converged after 3 iterations. iteration 153: trace = 2.44978969985222 (0.000322494% change) linmin: converged after 3 iterations. iteration 154: trace = 2.449775013132724 (0.000599511% change) linmin: converged after 3 iterations. iteration 155: trace = 2.449770908070022 (0.000167569% change) large trace change predicted (0.000429085%) linmin: converged after 3 iterations. iteration 156: trace = 2.4497603962631 (0.000429094% change) linmin: converged after 3 iterations. iteration 157: trace = 2.449754428439246 (0.000243609% change) linmin: converged after 9 iterations. iteration 158: trace = 2.449751678654519 (0.000112247% change) linmin: converged after 3 iterations. iteration 159: trace = 2.449747900517055 (0.000154225% change) linmin: converged after 3 iterations. iteration 160: trace = 2.449743866276483 (0.00016468% change) linmin: converged after 2 iterations. iteration 161: trace = 2.449742696839385 (4.77371e-05% change) large trace change predicted (0.000193751%) linmin: converged after 3 iterations. iteration 162: trace = 2.449737950163642 (0.000193762% change) linmin: converged after 3 iterations. iteration 163: trace = 2.449731593356187 (0.00025949% change) linmin: converged after 3 iterations. iteration 164: trace = 2.449729528942611 (8.4271e-05% change) large trace change predicted (0.000360113%) linmin: converged after 4 iterations. iteration 165: trace = 2.449720701149677 (0.000360359% change) linmin: converged after 4 iterations. iteration 166: trace = 2.449713846129236 (0.000279829% change) linmin: converged after 4 iterations. iteration 167: trace = 2.449711540764405 (9.41076e-05% change) large trace change predicted (0.000273551%) linmin: converged after 3 iterations. iteration 168: trace = 2.449704837156106 (0.000273649% change) linmin: converged after 3 iterations. iteration 169: trace = 2.449697310566911 (0.000307245% change) linmin: converged after 3 iterations. iteration 170: trace = 2.449695044519953 (9.25032e-05% change) large trace change predicted (0.000343592%) linmin: converged after 3 iterations. iteration 171: trace = 2.449686617793979 (0.000343991% change) linmin: converged after 3 iterations. iteration 172: trace = 2.449677838280267 (0.000358394% change) linmin: converged after 4 iterations. iteration 173: trace = 2.449674403276298 (0.000140223% change) large trace change predicted (0.000280535%) linmin: converged after 5 iterations. iteration 174: trace = 2.449667524592512 (0.0002808% change) linmin: converged after 4 iterations. iteration 175: trace = 2.449659843868781 (0.000313542% change) linmin: converged after 3 iterations. iteration 176: trace = 2.449657785869432 (8.40117e-05% change) large trace change predicted (0.000240541%) linmin: converged after 4 iterations. iteration 177: trace = 2.449651893919608 (0.000240522% change) linmin: converged after 3 iterations. iteration 178: trace = 2.449647775934057 (0.000168105% change) linmin: converged after 3 iterations. iteration 179: trace = 2.449645788577494 (8.11283e-05% change) large trace change predicted (0.000190697%) linmin: converged after 4 iterations. iteration 180: trace = 2.449641119065572 (0.00019062% change) linmin: converged after 5 iterations. iteration 181: trace = 2.449636565772971 (0.000185876% change) linmin: converged after 4 iterations. iteration 182: trace = 2.44963438518716 (8.90167e-05% change) large trace change predicted (0.000269165%) linmin: converged after 4 iterations. iteration 183: trace = 2.449627808941738 (0.000268459% change) linmin: converged after 5 iterations. iteration 184: trace = 2.449623518946007 (0.000175129% change) linmin: converged after 6 iterations. iteration 185: trace = 2.449619990401048 (0.000144044% change) large trace change predicted (0.000335612%) linmin: converged after 4 iterations. iteration 186: trace = 2.449611786240418 (0.000334916% change) linmin: converged after 4 iterations. iteration 187: trace = 2.449608182807687 (0.000147102% change) linmin: converged after 3 iterations. iteration 188: trace = 2.449605423969706 (0.000112624% change) large trace change predicted (0.000303692%) linmin: converged after 8 iterations. iteration 189: trace = 2.449597989999981 (0.000303477% change) linmin: converged after 4 iterations. iteration 190: trace = 2.449593731575493 (0.000173842% change) linmin: converged after 4 iterations. iteration 191: trace = 2.449588319829075 (0.000220924% change) large trace change predicted (0.000564295%) linmin: converged after 3 iterations. iteration 192: trace = 2.449574492403736 (0.000564481% change) linmin: converged after 7 iterations. iteration 193: trace = 2.44957168133793 (0.000114757% change) large trace change predicted (0.000469169%) linmin: converged after 3 iterations. iteration 194: trace = 2.44956017309008 (0.000469808% change) linmin: converged after 3 iterations. iteration 195: trace = 2.449553382156658 (0.000277231% change) linmin: converged after 3 iterations. iteration 196: trace = 2.449550713519895 (0.000108944% change) linmin: converged after 5 iterations. iteration 197: trace = 2.449545924429994 (0.000195509% change) linmin: converged after 3 iterations. iteration 198: trace = 2.449540218602736 (0.000232934% change) linmin: converged after 3 iterations. iteration 199: trace = 2.449538417206486 (7.35402e-05% change) large trace change predicted (0.000254779%) linmin: converged after 3 iterations. iteration 200: trace = 2.449532169436838 (0.000255059% change) linmin: converged after 5 iterations. iteration 201: trace = 2.449528067861914 (0.000167443% change) linmin: converged after 3 iterations. iteration 202: trace = 2.449524503640031 (0.000145507% change) large trace change predicted (0.000362752%) linmin: converged after 3 iterations. iteration 203: trace = 2.449515610964782 (0.000363037% change) linmin: converged after 3 iterations. iteration 204: trace = 2.449507041026361 (0.000349863% change) linmin: converged after 3 iterations. iteration 205: trace = 2.449500347649236 (0.000273254% change) linmin: converged after 3 iterations. iteration 206: trace = 2.44949265562893 (0.000314025% change) linmin: converged after 3 iterations. iteration 207: trace = 2.449486583240246 (0.000247904% change) linmin: converged after 6 iterations. iteration 208: trace = 2.449478073971598 (0.00034739% change) linmin: converged after 3 iterations. iteration 209: trace = 2.449461103627731 (0.000692817% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.449458112690228 (0.000122106% change) linmin: converged after 3 iterations. iteration 211: trace = 2.449453772688644 (0.000177182% change) linmin: converged after 4 iterations. iteration 212: trace = 2.449448028949936 (0.000234491% change) linmin: converged after 3 iterations. iteration 213: trace = 2.449446164243894 (7.61276e-05% change) large trace change predicted (0.000169819%) linmin: converged after 3 iterations. iteration 214: trace = 2.449442005059232 (0.000169801% change) linmin: converged after 4 iterations. iteration 215: trace = 2.44943687769927 (0.000209328% change) linmin: converged after 3 iterations. iteration 216: trace = 2.449435878329478 (4.08e-05% change) large trace change predicted (0.000117212%) linmin: converged after 3 iterations. iteration 217: trace = 2.449433007876016 (0.000117188% change) linmin: converged after 3 iterations. iteration 218: trace = 2.449431278028424 (7.06224e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.449430729737943 (2.23844e-05% change) large trace change predicted (7.94434e-05%) linmin: converged after 3 iterations. iteration 220: trace = 2.449428784156017 (7.943e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.449427093991445 (6.90024e-05% change) linmin: converged after 5 iterations. iteration 222: trace = 2.44942620850447 (3.61508e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.449424545631271 (6.78883e-05% change) linmin: converged after 4 iterations. iteration 224: trace = 2.449422508885449 (8.3152e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 2.449421379553375 (4.61061e-05% change) large trace change predicted (0.000127276%) linmin: converged after 3 iterations. iteration 226: trace = 2.449418262715337 (0.000127248% change) linmin: converged after 3 iterations. iteration 227: trace = 2.449416362177955 (7.75914e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.449415227517519 (4.63237e-05% change) large trace change predicted (0.000127924%) linmin: converged after 3 iterations. iteration 229: trace = 2.449412093136151 (0.000127965% change) linmin: converged after 3 iterations. iteration 230: trace = 2.449410383381101 (6.98027e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.449408557909533 (7.4527e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.449406557521023 (8.16683e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.449405121466212 (5.86287e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.449404283427615 (3.4214e-05% change) large trace change predicted (8.22352e-05%) linmin: converged after 3 iterations. iteration 235: trace = 2.449402267249879 (8.2313e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.449400604098859 (6.79003e-05% change) linmin: converged after 4 iterations. iteration 237: trace = 2.449399711006797 (3.64617e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.449398559350344 (4.70179e-05% change) linmin: converged after 3 iterations. iteration 239: trace = 2.449397676324221 (3.60507e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.449397140248872 (2.1886e-05% change) linmin: converged after 4 iterations. iteration 241: trace = 2.449396141907888 (4.07586e-05% change) linmin: converged after 4 iterations. iteration 242: trace = 2.449395682477338 (1.87569e-05% change) linmin: converged after 2 iterations. iteration 243: trace = 2.449394822468462 (3.51111e-05% change) linmin: converged after 5 iterations. iteration 244: trace = 2.449393696944044 (4.59511e-05% change) linmin: converged after 4 iterations. iteration 245: trace = 2.44939297320229 (2.95478e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.449391733958175 (5.05939e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.449389699471952 (8.30609e-05% change) linmin: converged after 3 iterations. iteration 248: trace = 2.449389283936811 (1.69648e-05% change) large trace change predicted (5.17013e-05%) linmin: converged after 5 iterations. iteration 249: trace = 2.449388017709373 (5.16957e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.449386829212846 (4.85222e-05% change) linmin: converged after 5 iterations. iteration 251: trace = 2.449386452552643 (1.53777e-05% change) large trace change predicted (8.24551e-05%) linmin: converged after 3 iterations. iteration 252: trace = 2.449384434064409 (8.24079e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.449383219451633 (4.95885e-05% change) linmin: converged after 5 iterations. iteration 254: trace = 2.449382685119716 (2.1815e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.449381793483696 (3.64025e-05% change) linmin: converged after 4 iterations. iteration 256: trace = 2.44938076716259 (4.19012e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.449380244097084 (2.1355e-05% change) large trace change predicted (4.27653e-05%) linmin: converged after 18 iterations. iteration 258: trace = 2.449379196604692 (4.27656e-05% change) linmin: converged after 5 iterations. iteration 259: trace = 2.449378424706657 (3.1514e-05% change) linmin: converged after 4 iterations. iteration 260: trace = 2.44937786277698 (2.29417e-05% change) linmin: converged after 8 iterations. iteration 261: trace = 2.449377057286336 (3.28855e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.449376176118371 (3.59752e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.449375556948499 (2.52787e-05% change) large trace change predicted (6.35408e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.449374001064563 (6.35217e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.44937332091431 (2.77683e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.449371976692729 (5.48802e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.449369845323015 (8.7017e-05% change) linmin: converged after 5 iterations. iteration 268: trace = 2.449369361660958 (1.97464e-05% change) large trace change predicted (5.89099e-05%) linmin: converged after 5 iterations. iteration 269: trace = 2.449367919423626 (5.8882e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.449366777428375 (4.66241e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.44936642983688 (1.41911e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.449365765809774 (2.71102e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.449364508576624 (5.13289e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.449364200448629 (1.25799e-05% change) large trace change predicted (5.33552e-05%) linmin: converged after 5 iterations. iteration 275: trace = 2.449362893431199 (5.33615e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.44936201234216 (3.59722e-05% change) linmin: converged after 4 iterations. iteration 277: trace = 2.449361775835222 (9.65586e-06% change) large trace change predicted (3.25564e-05%) linmin: converged after 4 iterations. iteration 278: trace = 2.449360978372377 (3.2558e-05% change) linmin: converged after 3 iterations. iteration 279: trace = 2.449360489669767 (1.99523e-05% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.44936035885647 (5.34071e-06% change) large trace change predicted (1.13115e-05%) linmin: converged after 4 iterations. iteration 281: trace = 2.449360081788123 (1.13119e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.449359715255381 (1.49644e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.44935946612994 (1.0171e-05% change) large trace change predicted (2.89618e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.44935875664032 (2.89663e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.44935780750131 (3.87505e-05% change) linmin: converged after 3 iterations. iteration 286: trace = 2.449357444958249 (1.48016e-05% change) large trace change predicted (3.94878e-05%) linmin: converged after 3 iterations. iteration 287: trace = 2.449356477601795 (3.94943e-05% change) linmin: converged after 5 iterations. iteration 288: trace = 2.449356173267169 (1.24251e-05% change) linmin: converged after 3 iterations. iteration 289: trace = 2.449355809229161 (1.48626e-05% change) large trace change predicted (3.10951e-05%) linmin: converged after 4 iterations. iteration 290: trace = 2.449355047525901 (3.10981e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.449354291692601 (3.08585e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.449353777418593 (2.09963e-05% change) large trace change predicted (4.27282e-05%) linmin: converged after 4 iterations. iteration 293: trace = 2.449352730675097 (4.27355e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.44935189967874 (3.39272e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.449351602363635 (1.21385e-05% change) large trace change predicted (3.70076e-05%) linmin: converged after 4 iterations. iteration 296: trace = 2.449350695758482 (3.70141e-05% change) linmin: converged after 2 iterations. iteration 297: trace = 2.449350445131554 (1.02324e-05% change) linmin: converged after 4 iterations. iteration 298: trace = 2.449349958064664 (1.98856e-05% change) linmin: converged after 4 iterations. iteration 299: trace = 2.449349570822366 (1.581e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.449349258376479 (1.27563e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.449348903416984 (1.4492e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.44934828034559 (2.54382e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.449348047013652 (9.52629e-06% change) large trace change predicted (2.67784e-05%) linmin: converged after 7 iterations. iteration 304: trace = 2.449347391096997 (2.67792e-05% change) linmin: converged after 5 iterations. iteration 305: trace = 2.449346772318718 (2.5263e-05% change) linmin: converged after 3 iterations. iteration 306: trace = 2.449346251653882 (2.12573e-05% change) linmin: converged after 4 iterations. iteration 307: trace = 2.449345928796927 (1.31814e-05% change) large trace change predicted (3.13854e-05%) linmin: converged after 4 iterations. iteration 308: trace = 2.449345159908831 (3.13916e-05% change) linmin: converged after 3 iterations. iteration 309: trace = 2.449344700007341 (1.87765e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.449344461723959 (9.72845e-06% change) large trace change predicted (2.59965e-05%) linmin: converged after 3 iterations. iteration 311: trace = 2.449343824905439 (2.59996e-05% change) linmin: converged after 13 iterations. iteration 312: trace = 2.449343407993338 (1.70214e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.449342805493095 (2.45984e-05% change) linmin: converged after 3 iterations. iteration 314: trace = 2.44934203354582 (3.15165e-05% change) linmin: converged after 3 iterations. iteration 315: trace = 2.449341678730135 (1.44862e-05% change) linmin: converged after 5 iterations. iteration 316: trace = 2.44934140149551 (1.13187e-05% change) large trace change predicted (2.43969e-05%) linmin: converged after 6 iterations. iteration 317: trace = 2.44934080397584 (2.43951e-05% change) linmin: converged after 3 iterations. iteration 318: trace = 2.449340702299089 (4.15119e-06% change) large trace change predicted (1.53921e-05%) linmin: converged after 6 iterations. iteration 319: trace = 2.449340325357353 (1.53895e-05% change) linmin: converged after 5 iterations. iteration 320: trace = 2.449339981074667 (1.40561e-05% change) linmin: converged after 8 iterations. iteration 321: trace = 2.449339788744149 (7.85234e-06% change) large trace change predicted (2.02789e-05%) linmin: converged after 4 iterations. iteration 322: trace = 2.449339292252254 (2.02704e-05% change) linmin: converged after 7 iterations. iteration 323: trace = 2.44933842160769 (3.55461e-05% change) linmin: converged after 16 iterations. iteration 324: trace = 2.449338186363222 (9.60441e-06% change) large trace change predicted (1.98379e-05%) linmin: converged after 3 iterations. iteration 325: trace = 2.449337700681085 (1.98291e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.449337031157789 (2.73349e-05% change) linmin: converged after 2 iterations. iteration 327: trace = 2.449336828199743 (8.28624e-06% change) large trace change predicted (2.8027e-05%) linmin: converged after 7 iterations. iteration 328: trace = 2.449336141930802 (2.80186e-05% change) linmin: converged after 4 iterations. iteration 329: trace = 2.449335000529667 (4.66004e-05% change) linmin: converged after 6 iterations. iteration 330: trace = 2.449334697911085 (1.23551e-05% change) large trace change predicted (4.78638e-05%) linmin: converged after 4 iterations. iteration 331: trace = 2.449333525369122 (4.78719e-05% change) linmin: converged after 4 iterations. iteration 332: trace = 2.449332696693291 (3.38327e-05% change) linmin: converged after 3 iterations. iteration 333: trace = 2.449332281081491 (1.69684e-05% change) large trace change predicted (3.54123e-05%) linmin: converged after 4 iterations. iteration 334: trace = 2.449331413512703 (3.54206e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.449330622941821 (3.2277e-05% change) linmin: converged after 3 iterations. iteration 336: trace = 2.449330428852425 (7.92418e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.449330054764462 (1.52731e-05% change) linmin: converged after 3 iterations. iteration 338: trace = 2.449329577707699 (1.9477e-05% change) linmin: converged after 12 iterations. iteration 339: trace = 2.449329458124164 (4.8823e-06% change) large trace change predicted (2.24194e-05%) linmin: converged after 3 iterations. iteration 340: trace = 2.449328908915495 (2.24228e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.449328374324598 (2.1826e-05% change) linmin: converged after 4 iterations. iteration 342: trace = 2.449328131852412 (9.89954e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.44932765071075 (1.96438e-05% change) large trace change predicted (4.09563e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.449326647324357 (4.09658e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.449326292401046 (1.44906e-05% change) large trace change predicted (4.28457e-05%) linmin: converged after 4 iterations. iteration 346: trace = 2.449325242652457 (4.28587e-05% change) linmin: converged after 4 iterations. iteration 347: trace = 2.449324565108769 (2.76625e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.449324247739938 (1.29574e-05% change) large trace change predicted (6.52592e-05%) linmin: converged after 3 iterations. iteration 349: trace = 2.449322648755448 (6.52827e-05% change) resetting CG direction... linmin: converged after 10 iterations. iteration 350: trace = 2.44932182330082 (3.37013e-05% change) linmin: converged after 5 iterations. iteration 351: trace = 2.449321538657195 (1.16213e-05% change) large trace change predicted (2.70756e-05%) linmin: converged after 10 iterations. iteration 352: trace = 2.44932087548005 (2.7076e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.449320415058727 (1.87979e-05% change) linmin: converged after 2 iterations. iteration 354: trace = 2.449320089926187 (1.32744e-05% change) large trace change predicted (3.06443e-05%) linmin: converged after 4 iterations. iteration 355: trace = 2.449319339410571 (3.06418e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.449319050758693 (1.1785e-05% change) linmin: converged after 4 iterations. iteration 357: trace = 2.449318841369459 (8.54888e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.449318525134029 (1.29112e-05% change) linmin: converged after 4 iterations. iteration 359: trace = 2.449318339437406 (7.58156e-06% change) linmin: converged after 5 iterations. iteration 360: trace = 2.449318141226692 (8.09249e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.44931787948778 (1.06862e-05% change) linmin: converged after 5 iterations. iteration 362: trace = 2.44931770640425 (7.0666e-06% change) linmin: converged after 5 iterations. iteration 363: trace = 2.449317560495567 (5.95712e-06% change) large trace change predicted (1.60532e-05%) linmin: converged after 5 iterations. iteration 364: trace = 2.44931716739285 (1.60495e-05% change) linmin: converged after 4 iterations. iteration 365: trace = 2.449316941746309 (9.21263e-06% change) linmin: converged after 3 iterations. iteration 366: trace = 2.449316538167191 (1.64772e-05% change) linmin: converged after 6 iterations. iteration 367: trace = 2.449316176695425 (1.47581e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.449315946222193 (9.4097e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.449315506213344 (1.79646e-05% change) linmin: converged after 10 iterations. iteration 370: trace = 2.449314980645124 (2.14578e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.449314813028352 (6.84341e-06% change) large trace change predicted (1.37181e-05%) linmin: converged after 3 iterations. iteration 372: trace = 2.449314477003282 (1.37191e-05% change) linmin: converged after 4 iterations. iteration 373: trace = 2.449314086267051 (1.59529e-05% change) linmin: converged after 3 iterations. iteration 374: trace = 2.449313882630461 (8.31403e-06% change) linmin: converged after 3 iterations. iteration 375: trace = 2.449313638819782 (9.95424e-06% change) linmin: converged after 4 iterations. iteration 376: trace = 2.449313274468424 (1.48757e-05% change) linmin: converged after 4 iterations. iteration 377: trace = 2.449313158039814 (4.75352e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.44931297582067 (7.4396e-06% change) linmin: converged after 5 iterations. iteration 379: trace = 2.44931280615865 (6.92692e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.449312681184396 (5.10242e-06% change) linmin: converged after 5 iterations. iteration 381: trace = 2.4493126069395 (3.03125e-06% change) large trace change predicted (6.83387e-06%) linmin: converged after 2 iterations. iteration 382: trace = 2.449312439554117 (6.83397e-06% change) linmin: converged after 5 iterations. iteration 383: trace = 2.449312362010223 (3.16595e-06% change) linmin: converged after 7 iterations. iteration 384: trace = 2.449312221693228 (5.72883e-06% change) large trace change predicted (1.2079e-05%) linmin: converged after 3 iterations. iteration 385: trace = 2.449311925884899 (1.20772e-05% change) linmin: converged after 3 iterations. iteration 386: trace = 2.449311787177985 (5.6631e-06% change) large trace change predicted (1.32399e-05%) linmin: converged after 5 iterations. iteration 387: trace = 2.449311462937392 (1.3238e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.449311287172683 (7.17609e-06% change) linmin: converged after 8 iterations. iteration 389: trace = 2.449311185924481 (4.13374e-06% change) large trace change predicted (9.60227e-06%) linmin: converged after 5 iterations. iteration 390: trace = 2.449310950783617 (9.60029e-06% change) linmin: converged after 5 iterations. iteration 391: trace = 2.449310640862508 (1.26534e-05% change) linmin: converged after 7 iterations. iteration 392: trace = 2.449310564375911 (3.12278e-06% change) large trace change predicted (1.03205e-05%) linmin: converged after 3 iterations. iteration 393: trace = 2.449310311632106 (1.0319e-05% change) linmin: converged after 3 iterations. iteration 394: trace = 2.449310112374825 (8.13524e-06% change) linmin: converged after 3 iterations. iteration 395: trace = 2.449310036078187 (3.11503e-06% change) large trace change predicted (8.76138e-06%) linmin: converged after 4 iterations. iteration 396: trace = 2.449309821484943 (8.76138e-06% change) linmin: converged after 5 iterations. iteration 397: trace = 2.449309636933419 (7.53484e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.449309582587313 (2.21883e-06% change) large trace change predicted (7.83039e-06%) linmin: converged after 5 iterations. iteration 399: trace = 2.449309390799596 (7.83028e-06% change) linmin: converged after 5 iterations. iteration 400: trace = 2.449309275333445 (4.71423e-06% change) linmin: converged after 23 iterations. iteration 401: trace = 2.449309223830472 (2.10276e-06% change) large trace change predicted (8.60694e-06%) linmin: converged after 6 iterations. iteration 402: trace = 2.449309013034717 (8.60634e-06% change) linmin: converged after 5 iterations. iteration 403: trace = 2.449308868186215 (5.91385e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.449308722834678 (5.93439e-06% change) linmin: converged after 9 iterations. iteration 405: trace = 2.449308522941983 (8.16119e-06% change) linmin: converged after 4 iterations. iteration 406: trace = 2.449308287529242 (9.6114e-06% change) linmin: converged after 11 iterations. iteration 407: trace = 2.449308225446371 (2.53471e-06% change) large trace change predicted (9.59192e-06%) linmin: converged after 5 iterations. iteration 408: trace = 2.449307990533196 (9.591e-06% change) linmin: converged after 2 iterations. iteration 409: trace = 2.44930786039872 (5.31311e-06% change) linmin: converged after 5 iterations. iteration 410: trace = 2.449307776754267 (3.41502e-06% change) linmin: converged after 4 iterations. iteration 411: trace = 2.44930766019738 (4.75877e-06% change) linmin: converged after 4 iterations. iteration 412: trace = 2.449307480245329 (7.34706e-06% change) linmin: converged after 7 iterations. iteration 413: trace = 2.44930741895273 (2.50245e-06% change) large trace change predicted (7.13145e-06%) linmin: converged after 5 iterations. iteration 414: trace = 2.449307244315649 (7.13006e-06% change) linmin: converged after 3 iterations. iteration 415: trace = 2.449307130174472 (4.66014e-06% change) linmin: converged after 3 iterations. iteration 416: trace = 2.449307041358999 (3.62615e-06% change) linmin: converged after 6 iterations. iteration 417: trace = 2.449306907042652 (5.48385e-06% change) linmin: converged after 7 iterations. iteration 418: trace = 2.449306846411126 (2.47546e-06% change) linmin: converged after 4 iterations. iteration 419: trace = 2.449306816804892 (1.20876e-06% change) resetting CG direction... linmin: converged after 15 iterations. iteration 420: trace = 2.449306792418263 (9.95654e-07% change) linmin: converged after 5 iterations. iteration 421: trace = 2.449306755408211 (1.51104e-06% change) large trace change predicted (3.63985e-06%) linmin: converged after 6 iterations. iteration 422: trace = 2.449306666252821 (3.64003e-06% change) linmin: converged after 4 iterations. iteration 423: trace = 2.449306602136914 (2.61772e-06% change) linmin: converged after 3 iterations. iteration 424: trace = 2.449306519641126 (3.36813e-06% change) large trace change predicted (8.18725e-06%) linmin: converged after 4 iterations. iteration 425: trace = 2.44930631908724 (8.18819e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.449306271600339 (1.93879e-06% change) large trace change predicted (5.88032e-06%) linmin: converged after 5 iterations. iteration 427: trace = 2.449306127565736 (5.88063e-06% change) linmin: converged after 3 iterations. iteration 428: trace = 2.449306027614528 (4.0808e-06% change) linmin: converged after 5 iterations. iteration 429: trace = 2.449305994655025 (1.34567e-06% change) large trace change predicted (6.4049e-06%) linmin: converged after 4 iterations. iteration 430: trace = 2.449305837770847 (6.40525e-06% change) linmin: converged after 2 iterations. iteration 431: trace = 2.449305705704582 (5.39199e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.449305638951834 (2.72537e-06% change) large trace change predicted (6.01762e-06%) linmin: converged after 3 iterations. iteration 433: trace = 2.449305491556085 (6.01786e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.449305313775604 (7.2584e-06% change) linmin: converged after 3 iterations. iteration 435: trace = 2.449305256364343 (2.34398e-06% change) large trace change predicted (7.67122e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.449305068459433 (7.67176e-06% change) linmin: converged after 2 iterations. iteration 437: trace = 2.449304958419962 (4.49268e-06% change) linmin: converged after 3 iterations. iteration 438: trace = 2.449304917886444 (1.6549e-06% change) large trace change predicted (3.31934e-06%) linmin: converged after 4 iterations. iteration 439: trace = 2.449304836582585 (3.31947e-06% change) linmin: converged after 4 iterations. iteration 440: trace = 2.449304711689658 (5.09912e-06% change) linmin: converged after 2 iterations. iteration 441: trace = 2.449304680326612 (1.28049e-06% change) large trace change predicted (4.22057e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.449304576941234 (4.22101e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.449304431279818 (5.94705e-06% change) linmin: converged after 8 iterations. iteration 444: trace = 2.449304383313033 (1.95838e-06% change) large trace change predicted (5.30008e-06%) linmin: converged after 3 iterations. iteration 445: trace = 2.449304253483403 (5.30067e-06% change) linmin: converged after 4 iterations. iteration 446: trace = 2.449304095098798 (6.46651e-06% change) linmin: converged after 8 iterations. iteration 447: trace = 2.449304053698725 (1.69028e-06% change) large trace change predicted (5.97949e-06%) linmin: converged after 5 iterations. iteration 448: trace = 2.449303907232898 (5.9799e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.449303797535602 (4.47871e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.44930373621516 (2.50359e-06% change) linmin: converged after 4 iterations. iteration 451: trace = 2.449303618741786 (4.79619e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.449303439229621 (7.32911e-06% change) linmin: converged after 5 iterations. iteration 453: trace = 2.449303394965906 (1.8072e-06% change) large trace change predicted (6.12269e-06%) linmin: converged after 6 iterations. iteration 454: trace = 2.449303244997532 (6.1229e-06% change) linmin: converged after 18 iterations. iteration 455: trace = 2.449303125429011 (4.88174e-06% change) linmin: converged after 9 iterations. iteration 456: trace = 2.449303093838604 (1.28977e-06% change) large trace change predicted (4.80821e-06%) linmin: converged after 4 iterations. iteration 457: trace = 2.449302976074831 (4.80805e-06% change) linmin: converged after 4 iterations. iteration 458: trace = 2.449302933680515 (1.73087e-06% change) linmin: converged after 7 iterations. iteration 459: trace = 2.449302901682854 (1.3064e-06% change) large trace change predicted (3.03674e-06%) linmin: converged after 3 iterations. iteration 460: trace = 2.449302827309876 (3.0365e-06% change) linmin: converged after 6 iterations. iteration 461: trace = 2.449302741682878 (3.49597e-06% change) linmin: converged after 8 iterations. iteration 462: trace = 2.449302678294404 (2.58802e-06% change) large trace change predicted (7.1125e-06%) linmin: converged after 4 iterations. iteration 463: trace = 2.449302504151457 (7.1099e-06% change) linmin: converged after 4 iterations. iteration 464: trace = 2.449302431382238 (2.97102e-06% change) linmin: converged after 3 iterations. iteration 465: trace = 2.449302322795264 (4.43338e-06% change) linmin: converged after 5 iterations. iteration 466: trace = 2.449302163235641 (6.51449e-06% change) linmin: converged after 4 iterations. iteration 467: trace = 2.449302008603472 (6.31332e-06% change) linmin: converged after 5 iterations. iteration 468: trace = 2.449301954760395 (2.1983e-06% change) large trace change predicted (8.48473e-06%) linmin: converged after 4 iterations. iteration 469: trace = 2.449301746929865 (8.4853e-06% change) linmin: converged after 3 iterations. iteration 470: trace = 2.44930158499688 (6.61139e-06% change) linmin: converged after 2 iterations. iteration 471: trace = 2.449301519537809 (2.67256e-06% change) large trace change predicted (9.02635e-06%) linmin: converged after 4 iterations. iteration 472: trace = 2.44930129839495 (9.02881e-06% change) linmin: converged after 3 iterations. iteration 473: trace = 2.449301095773646 (8.27262e-06% change) linmin: converged after 6 iterations. iteration 474: trace = 2.449301056541607 (1.60176e-06% change) large trace change predicted (5.27166e-06%) linmin: converged after 3 iterations. iteration 475: trace = 2.44930092741027 (5.27217e-06% change) linmin: converged after 4 iterations. iteration 476: trace = 2.449300845753241 (3.33389e-06% change) linmin: converged after 5 iterations. iteration 477: trace = 2.449300815360409 (1.24088e-06% change) large trace change predicted (4.15168e-06%) linmin: converged after 3 iterations. iteration 478: trace = 2.449300713665282 (4.15201e-06% change) linmin: converged after 5 iterations. iteration 479: trace = 2.44930065569095 (2.36697e-06% change) linmin: converged after 9 iterations. iteration 480: trace = 2.449300597626611 (2.37065e-06% change) linmin: converged after 4 iterations. iteration 481: trace = 2.449300520992366 (3.12882e-06% change) linmin: converged after 2 iterations. iteration 482: trace = 2.449300397210258 (5.05377e-06% change) linmin: converged after 4 iterations. iteration 483: trace = 2.449300361225267 (1.46919e-06% change) large trace change predicted (7.04655e-06%) linmin: converged after 4 iterations. iteration 484: trace = 2.449300188636986 (7.04643e-06% change) linmin: converged after 6 iterations. iteration 485: trace = 2.449300078732668 (4.48717e-06% change) linmin: converged after 3 iterations. iteration 486: trace = 2.449300012246638 (2.71449e-06% change) large trace change predicted (8.02864e-06%) linmin: converged after 5 iterations. iteration 487: trace = 2.44929981560621 (8.02843e-06% change) linmin: converged after 4 iterations. iteration 488: trace = 2.449299699773492 (4.72922e-06% change) linmin: converged after 3 iterations. iteration 489: trace = 2.449299554635778 (5.92568e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 490: trace = 2.449299429470633 (5.11024e-06% change) linmin: converged after 6 iterations. iteration 491: trace = 2.44929934287215 (3.53564e-06% change) linmin: converged after 2 iterations. iteration 492: trace = 2.449299184030745 (6.48518e-06% change) linmin: converged after 2 iterations. iteration 493: trace = 2.4492991172159 (2.72792e-06% change) linmin: converged after 3 iterations. iteration 494: trace = 2.449299029092498 (3.5979e-06% change) linmin: converged after 6 iterations. iteration 495: trace = 2.449298878690034 (6.14063e-06% change) linmin: converged after 9 iterations. iteration 496: trace = 2.449298852434448 (1.07196e-06% change) large trace change predicted (3.65764e-06%) linmin: converged after 5 iterations. iteration 497: trace = 2.449298762853906 (3.6574e-06% change) linmin: converged after 3 iterations. iteration 498: trace = 2.449298701121422 (2.52041e-06% change) linmin: converged after 8 iterations. iteration 499: trace = 2.449298684309333 (6.86404e-07% change) large trace change predicted (2.9529e-06%) linmin: converged after 3 iterations. iteration 500: trace = 2.449298611988475 (2.95272e-06% change) linmin: converged after 4 iterations. iteration 501: trace = 2.449298544671136 (2.74843e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.449298524508349 (8.23207e-07% change) large trace change predicted (2.02023e-06%) linmin: converged after 3 iterations. iteration 503: trace = 2.449298475026414 (2.02025e-06% change) linmin: converged after 6 iterations. iteration 504: trace = 2.449298389023014 (3.51135e-06% change) linmin: converged after 7 iterations. iteration 505: trace = 2.449298367868543 (8.63695e-07% change) large trace change predicted (5.21918e-06%) linmin: converged after 11 iterations. iteration 506: trace = 2.449298240054867 (5.21838e-06% change) linmin: converged after 3 iterations. iteration 507: trace = 2.449298135550526 (4.26671e-06% change) linmin: converged after 4 iterations. iteration 508: trace = 2.449298096211906 (1.60612e-06% change) large trace change predicted (3.74886e-06%) linmin: converged after 5 iterations. iteration 509: trace = 2.449298004395614 (3.74868e-06% change) linmin: converged after 3 iterations. iteration 510: trace = 2.449297894952925 (4.46833e-06% change) linmin: converged after 5 iterations. iteration 511: trace = 2.449297866227305 (1.17281e-06% change) large trace change predicted (3.52397e-06%) linmin: converged after 5 iterations. iteration 512: trace = 2.449297779911246 (3.52411e-06% change) linmin: converged after 4 iterations. iteration 513: trace = 2.449297717736781 (2.53846e-06% change) linmin: converged after 2 iterations. iteration 514: trace = 2.44929767422181 (1.77663e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.449297595829442 (3.20061e-06% change) linmin: converged after 5 iterations. iteration 516: trace = 2.449297535145935 (2.47759e-06% change) linmin: converged after 16 iterations. iteration 517: trace = 2.449297502630137 (1.32756e-06% change) linmin: converged after 5 iterations. iteration 518: trace = 2.449297448020834 (2.22959e-06% change) linmin: converged after 4 iterations. iteration 519: trace = 2.449297416470452 (1.28814e-06% change) linmin: converged after 10 iterations. iteration 520: trace = 2.449297391050599 (1.03784e-06% change) linmin: converged after 6 iterations. iteration 521: trace = 2.449297372997664 (7.37066e-07% change) large trace change predicted (1.84029e-06%) linmin: converged after 21 iterations. iteration 522: trace = 2.449297327923096 (1.84031e-06% change) linmin: converged after 3 iterations. iteration 523: trace = 2.449297313603914 (5.84624e-07% change) large trace change predicted (1.99333e-06%) linmin: converged after 6 iterations. iteration 524: trace = 2.44929726478399 (1.99322e-06% change) linmin: converged after 4 iterations. iteration 525: trace = 2.449297211835038 (2.1618e-06% change) linmin: converged after 5 iterations. iteration 526: trace = 2.449297190260008 (8.80866e-07% change) large trace change predicted (3.57537e-06%) linmin: converged after 4 iterations. iteration 527: trace = 2.449297102693991 (3.57515e-06% change) linmin: converged after 3 iterations. iteration 528: trace = 2.449297053396339 (2.01273e-06% change) linmin: converged after 11 iterations. iteration 529: trace = 2.449297032619429 (8.48281e-07% change) linmin: converged after 4 iterations. iteration 530: trace = 2.449296992673108 (1.63093e-06% change) linmin: converged after 4 iterations. iteration 531: trace = 2.44929693720552 (2.26463e-06% change) linmin: converged after 4 iterations. iteration 532: trace = 2.449296918078637 (7.80913e-07% change) large trace change predicted (2.63007e-06%) linmin: converged after 8 iterations. iteration 533: trace = 2.449296853660734 (2.63006e-06% change) linmin: converged after 11 iterations. iteration 534: trace = 2.449296804496899 (2.00726e-06% change) linmin: converged after 4 iterations. iteration 535: trace = 2.449296787316758 (7.01432e-07% change) large trace change predicted (2.03404e-06%) linmin: converged after 3 iterations. iteration 536: trace = 2.449296737499339 (2.03395e-06% change) linmin: converged after 4 iterations. iteration 537: trace = 2.449296699204011 (1.56352e-06% change) linmin: converged after 24 iterations. iteration 538: trace = 2.449296688959647 (4.18257e-07% change) large trace change predicted (1.80255e-06%) linmin: converged after 7 iterations. iteration 539: trace = 2.449296644811075 (1.8025e-06% change) linmin: converged after 4 iterations. iteration 540: trace = 2.449296623989745 (8.50094e-07% change) linmin: converged after 5 iterations. iteration 541: trace = 2.449296607558735 (6.70846e-07% change) large trace change predicted (1.65871e-06%) linmin: converged after 9 iterations. iteration 542: trace = 2.449296566932979 (1.65867e-06% change) linmin: converged after 12 iterations. iteration 543: trace = 2.449296533664887 (1.35827e-06% change) linmin: converged after 7 iterations. iteration 544: trace = 2.449296499850904 (1.38056e-06% change) linmin: converged after 8 iterations. iteration 545: trace = 2.449296446432119 (2.18098e-06% change) linmin: converged after 4 iterations. iteration 546: trace = 2.449296409222726 (1.51919e-06% change) linmin: converged after 8 iterations. iteration 547: trace = 2.449296389246551 (8.15588e-07% change) large trace change predicted (1.98142e-06%) linmin: converged after 4 iterations. iteration 548: trace = 2.449296340716756 (1.98138e-06% change) linmin: converged after 5 iterations. iteration 549: trace = 2.44929629881578 (1.71074e-06% change) linmin: converged after 16 iterations. iteration 550: trace = 2.449296286326081 (5.0993e-07% change) large trace change predicted (1.11906e-06%) linmin: converged after 4 iterations. iteration 551: trace = 2.449296258917512 (1.11904e-06% change) linmin: converged after 4 iterations. iteration 552: trace = 2.449296221615067 (1.52299e-06% change) linmin: converged after 2 iterations. iteration 553: trace = 2.449296208133059 (5.50444e-07% change) large trace change predicted (1.9645e-06%) linmin: converged after 7 iterations. iteration 554: trace = 2.449296160018755 (1.96441e-06% change) linmin: converged after 4 iterations. iteration 555: trace = 2.449296140838978 (7.83073e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.449296123085604 (7.24836e-07% change) linmin: converged after 3 iterations. iteration 557: trace = 2.449296099647464 (9.56934e-07% change) linmin: converged after 7 iterations. iteration 558: trace = 2.449296088925706 (4.37749e-07% change) linmin: converged after 9 iterations. iteration 559: trace = 2.449296082398317 (2.66501e-07% change) resetting CG direction... linmin: converged after 10 iterations. iteration 560: trace = 2.449296076458252 (2.42521e-07% change) linmin: converged after 4 iterations. iteration 561: trace = 2.449296068067724 (3.42569e-07% change) large trace change predicted (8.2067e-07%) linmin: converged after 3 iterations. iteration 562: trace = 2.449296047966818 (8.20681e-07% change) linmin: converged after 2 iterations. iteration 563: trace = 2.449296033437271 (5.93213e-07% change) linmin: converged after 9 iterations. iteration 564: trace = 2.449296015820339 (7.19265e-07% change) large trace change predicted (1.91135e-06%) linmin: converged after 14 iterations. iteration 565: trace = 2.449295969003428 (1.91144e-06% change) linmin: converged after 4 iterations. iteration 566: trace = 2.449295956077304 (5.27749e-07% change) large trace change predicted (1.34565e-06%) linmin: converged after 2 iterations. iteration 567: trace = 2.449295923118196 (1.34566e-06% change) linmin: converged after 13 iterations. iteration 568: trace = 2.449295899340693 (9.70789e-07% change) linmin: converged after 13 iterations. iteration 569: trace = 2.449295890442377 (3.63301e-07% change) large trace change predicted (1.39342e-06%) linmin: converged after 3 iterations. iteration 570: trace = 2.449295856312726 (1.39345e-06% change) linmin: converged after 16 iterations. iteration 571: trace = 2.449295823140564 (1.35436e-06% change) linmin: converged after 10 iterations. iteration 572: trace = 2.449295807003971 (6.58826e-07% change) large trace change predicted (1.44814e-06%) linmin: converged after 5 iterations. iteration 573: trace = 2.449295771533152 (1.4482e-06% change) linmin: converged after 5 iterations. iteration 574: trace = 2.449295727555186 (1.79554e-06% change) linmin: converged after 9 iterations. iteration 575: trace = 2.449295712153016 (6.28841e-07% change) large trace change predicted (1.3139e-06%) linmin: converged after 7 iterations. iteration 576: trace = 2.449295679970796 (1.31394e-06% change) linmin: converged after 5 iterations. iteration 577: trace = 2.449295651212337 (1.17415e-06% change) linmin: converged after 2 iterations. iteration 578: trace = 2.449295642594985 (3.5183e-07% change) large trace change predicted (8.4235e-07%) linmin: converged after 5 iterations. iteration 579: trace = 2.449295621962583 (8.42381e-07% change) linmin: converged after 21 iterations. iteration 580: trace = 2.449295594146689 (1.13567e-06% change) linmin: converged after 4 iterations. iteration 581: trace = 2.449295587613738 (2.66728e-07% change) large trace change predicted (1.08307e-06%) linmin: converged after 10 iterations. iteration 582: trace = 2.449295561084804 (1.08313e-06% change) linmin: converged after 3 iterations. iteration 583: trace = 2.449295530508905 (1.24835e-06% change) linmin: converged after 4 iterations. iteration 584: trace = 2.449295520181253 (4.21658e-07% change) large trace change predicted (1.42209e-06%) linmin: converged after 9 iterations. iteration 585: trace = 2.449295485348387 (1.42216e-06% change) linmin: converged after 5 iterations. iteration 586: trace = 2.449295446972909 (1.5668e-06% change) linmin: converged after 4 iterations. iteration 587: trace = 2.449295437633795 (3.81298e-07% change) large trace change predicted (1.45631e-06%) linmin: converged after 8 iterations. iteration 588: trace = 2.449295401963015 (1.45637e-06% change) linmin: converged after 10 iterations. iteration 589: trace = 2.449295376839459 (1.02575e-06% change) linmin: converged after 3 iterations. iteration 590: trace = 2.449295361870868 (6.11139e-07% change) linmin: converged after 2 iterations. iteration 591: trace = 2.449295337047406 (1.01349e-06% change) linmin: converged after 4 iterations. iteration 592: trace = 2.449295293299488 (1.78614e-06% change) linmin: converged after 4 iterations. iteration 593: trace = 2.449295282239425 (4.51561e-07% change) large trace change predicted (1.28824e-06%) linmin: converged after 4 iterations. iteration 594: trace = 2.449295250685992 (1.28827e-06% change) linmin: converged after 5 iterations. iteration 595: trace = 2.449295221824196 (1.17837e-06% change) linmin: converged after 2 iterations. iteration 596: trace = 2.44929521386984 (3.24761e-07% change) large trace change predicted (1.03584e-06%) linmin: converged after 4 iterations. iteration 597: trace = 2.449295188499494 (1.03582e-06% change) linmin: converged after 6 iterations. iteration 598: trace = 2.449295177111954 (4.64931e-07% change) linmin: converged after 3 iterations. iteration 599: trace = 2.449295168897962 (3.35361e-07% change) linmin: converged after 4 iterations. iteration 600: trace = 2.449295153614405 (6.23998e-07% change) linmin: converged after 4 iterations. iteration 601: trace = 2.449295131232283 (9.13819e-07% change) linmin: converged after 18 iterations. iteration 602: trace = 2.449295121822322 (3.84191e-07% change) large trace change predicted (1.77567e-06%) linmin: converged after 13 iterations. iteration 603: trace = 2.449295078339307 (1.77533e-06% change) linmin: converged after 4 iterations. iteration 604: trace = 2.449295043926324 (1.40502e-06% change) linmin: converged after 4 iterations. iteration 605: trace = 2.44929503094616 (5.29955e-07% change) large trace change predicted (1.5279e-06%) linmin: converged after 9 iterations. iteration 606: trace = 2.449294993525982 (1.52779e-06% change) linmin: converged after 19 iterations. iteration 607: trace = 2.449294956707033 (1.50325e-06% change) linmin: converged after 2 iterations. iteration 608: trace = 2.449294939272067 (7.11836e-07% change) large trace change predicted (1.60246e-06%) linmin: converged after 3 iterations. iteration 609: trace = 2.449294900021942 (1.60251e-06% change) linmin: converged after 6 iterations. iteration 610: trace = 2.449294857711322 (1.72746e-06% change) linmin: converged after 14 iterations. iteration 611: trace = 2.449294830745647 (1.10096e-06% change) linmin: converged after 4 iterations. iteration 612: trace = 2.44929480176176 (1.18336e-06% change) linmin: converged after 4 iterations. iteration 613: trace = 2.449294753618048 (1.96562e-06% change) linmin: converged after 4 iterations. iteration 614: trace = 2.449294744950016 (3.53899e-07% change) large trace change predicted (1.28832e-06%) linmin: converged after 6 iterations. iteration 615: trace = 2.449294713392934 (1.28842e-06% change) linmin: converged after 4 iterations. iteration 616: trace = 2.449294693129423 (8.2732e-07% change) linmin: converged after 8 iterations. iteration 617: trace = 2.449294677932421 (6.20464e-07% change) linmin: converged after 8 iterations. iteration 618: trace = 2.449294664915564 (5.31453e-07% change) linmin: converged after 9 iterations. iteration 619: trace = 2.449294640543842 (9.95051e-07% change) linmin: converged after 13 iterations. iteration 620: trace = 2.449294633871995 (2.72399e-07% change) large trace change predicted (6.53942e-07%) linmin: converged after 5 iterations. iteration 621: trace = 2.449294617854707 (6.53955e-07% change) linmin: converged after 11 iterations. iteration 622: trace = 2.44929458844143 (1.20089e-06% change) linmin: converged after 13 iterations. iteration 623: trace = 2.449294565662547 (9.30018e-07% change) linmin: converged after 4 iterations. iteration 624: trace = 2.449294538123795 (1.12435e-06% change) linmin: converged after 3 iterations. iteration 625: trace = 2.449294506644298 (1.28525e-06% change) linmin: converged after 7 iterations. iteration 626: trace = 2.449294488678851 (7.33495e-07% change) linmin: converged after 4 iterations. iteration 627: trace = 2.449294456059742 (1.33178e-06% change) linmin: converged after 5 iterations. iteration 628: trace = 2.44929441222657 (1.78962e-06% change) linmin: converged after 5 iterations. iteration 629: trace = 2.44929437856458 (1.37435e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.449294348225139 (1.2387e-06% change) linmin: converged after 6 iterations. iteration 631: trace = 2.449294311729159 (1.49006e-06% change) linmin: converged after 5 iterations. iteration 632: trace = 2.449294283566208 (1.14984e-06% change) linmin: converged after 12 iterations. iteration 633: trace = 2.44929426721953 (6.67404e-07% change) linmin: converged after 3 iterations. iteration 634: trace = 2.449294240152789 (1.10508e-06% change) linmin: converged after 2 iterations. iteration 635: trace = 2.449294216841413 (9.51759e-07% change) linmin: converged after 7 iterations. iteration 636: trace = 2.449294200573756 (6.64177e-07% change) linmin: converged after 3 iterations. iteration 637: trace = 2.44929417672032 (9.7389e-07% change) linmin: converged after 4 iterations. iteration 638: trace = 2.449294169224955 (3.06021e-07% change) linmin: converged after 5 iterations. iteration 639: trace = 2.449294160732715 (3.46722e-07% change) large trace change predicted (7.45905e-07%) linmin: converged after 5 iterations. iteration 640: trace = 2.449294142463735 (7.45888e-07% change) linmin: converged after 2 iterations. iteration 641: trace = 2.449294137792205 (1.9073e-07% change) large trace change predicted (5.92936e-07%) linmin: converged after 5 iterations. iteration 642: trace = 2.449294123269853 (5.9292e-07% change) linmin: converged after 3 iterations. iteration 643: trace = 2.449294110542836 (5.1962e-07% change) linmin: converged after 9 iterations. iteration 644: trace = 2.449294102403012 (3.32333e-07% change) large trace change predicted (6.66144e-07%) linmin: converged after 4 iterations. iteration 645: trace = 2.449294086087627 (6.66126e-07% change) linmin: converged after 9 iterations. iteration 646: trace = 2.449294054702321 (1.2814e-06% change) linmin: converged after 7 iterations. iteration 647: trace = 2.449294040562214 (5.77314e-07% change) linmin: converged after 4 iterations. iteration 648: trace = 2.449294022097127 (7.53894e-07% change) linmin: converged after 8 iterations. iteration 649: trace = 2.449293998998872 (9.43058e-07% change) linmin: converged after 9 iterations. iteration 650: trace = 2.449293981243777 (7.24907e-07% change) linmin: converged after 12 iterations. iteration 651: trace = 2.449293968078251 (5.37523e-07% change) linmin: converged after 16 iterations. iteration 652: trace = 2.449293948649922 (7.93222e-07% change) linmin: converged after 5 iterations. iteration 653: trace = 2.449293939222242 (3.84914e-07% change) linmin: converged after 3 iterations. iteration 654: trace = 2.44929392374868 (6.31756e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.449293905575563 (7.41974e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.449293900160324 (2.21094e-07% change) large trace change predicted (6.95558e-07%) linmin: converged after 4 iterations. iteration 657: trace = 2.449293883122324 (6.95629e-07% change) linmin: converged after 8 iterations. iteration 658: trace = 2.449293870445803 (5.17558e-07% change) linmin: converged after 18 iterations. iteration 659: trace = 2.449293863998098 (2.63248e-07% change) linmin: converged after 15 iterations. iteration 660: trace = 2.449293861031792 (1.21109e-07% change) large trace change predicted (3.32179e-07%) linmin: converged after 3 iterations. iteration 661: trace = 2.449293852895654 (3.32183e-07% change) linmin: converged after 13 iterations. iteration 662: trace = 2.449293842369846 (4.29749e-07% change) linmin: converged after 4 iterations. iteration 663: trace = 2.449293839232275 (1.28101e-07% change) large trace change predicted (4.21875e-07%) linmin: converged after 4 iterations. iteration 664: trace = 2.449293828899499 (4.21868e-07% change) linmin: converged after 4 iterations. iteration 665: trace = 2.449293815336883 (5.53736e-07% change) linmin: converged after 4 iterations. iteration 666: trace = 2.449293810047407 (2.15959e-07% change) large trace change predicted (8.1053e-07%) linmin: converged after 8 iterations. iteration 667: trace = 2.449293790195751 (8.10505e-07% change) linmin: converged after 4 iterations. iteration 668: trace = 2.449293782273859 (3.23436e-07% change) linmin: converged after 11 iterations. iteration 669: trace = 2.449293775394512 (2.80871e-07% change) linmin: converged after 5 iterations. iteration 670: trace = 2.449293764945047 (4.26632e-07% change) linmin: converged after 5 iterations. iteration 671: trace = 2.449293756504798 (3.44599e-07% change) linmin: converged after 4 iterations. iteration 672: trace = 2.44929374722218 (3.78992e-07% change) linmin: converged after 15 iterations. iteration 673: trace = 2.449293731960705 (6.23097e-07% change) linmin: converged after 13 iterations. iteration 674: trace = 2.449293725417255 (2.67157e-07% change) linmin: converged after 4 iterations. iteration 675: trace = 2.44929371615482 (3.78168e-07% change) linmin: converged after 5 iterations. iteration 676: trace = 2.449293704609577 (4.7137e-07% change) linmin: converged after 4 iterations. iteration 677: trace = 2.449293696774195 (3.19904e-07% change) linmin: converged after 2 iterations. iteration 678: trace = 2.449293693571425 (1.30763e-07% change) large trace change predicted (4.15708e-07%) linmin: converged after 16 iterations. iteration 679: trace = 2.449293683389681 (4.15701e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.449293679386666 (1.63435e-07% change) linmin: converged after 23 iterations. iteration 681: trace = 2.449293674621555 (1.9455e-07% change) linmin: converged after 7 iterations. iteration 682: trace = 2.449293665308911 (3.80218e-07% change) linmin: converged after 5 iterations. iteration 683: trace = 2.449293659723073 (2.28059e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.449293649596636 (4.13443e-07% change) linmin: converged after 5 iterations. iteration 685: trace = 2.449293637100528 (5.10192e-07% change) linmin: converged after 5 iterations. iteration 686: trace = 2.449293630006 (2.89656e-07% change) linmin: converged after 3 iterations. iteration 687: trace = 2.449293623719263 (2.56676e-07% change) linmin: converged after 3 iterations. iteration 688: trace = 2.449293612301654 (4.66159e-07% change) linmin: converged after 4 iterations. iteration 689: trace = 2.449293603402506 (3.63335e-07% change) linmin: converged after 4 iterations. iteration 690: trace = 2.449293600123875 (1.3386e-07% change) linmin: converged after 7 iterations. iteration 691: trace = 2.449293593941523 (2.52414e-07% change) linmin: converged after 4 iterations. iteration 692: trace = 2.449293584845991 (3.71353e-07% change) linmin: converged after 3 iterations. iteration 693: trace = 2.449293581503368 (1.36473e-07% change) large trace change predicted (4.86326e-07%) linmin: converged after 5 iterations. iteration 694: trace = 2.449293569592126 (4.86313e-07% change) linmin: converged after 6 iterations. iteration 695: trace = 2.44929356405537 (2.26055e-07% change) linmin: converged after 4 iterations. iteration 696: trace = 2.44929356123884 (1.14994e-07% change) linmin: converged after 4 iterations. iteration 697: trace = 2.449293555906936 (2.17691e-07% change) linmin: converged after 6 iterations. iteration 698: trace = 2.449293553202247 (1.10427e-07% change) linmin: converged after 23 iterations. iteration 699: trace = 2.449293552072011 (4.61454e-08% change) resetting CG direction... linmin: converged after 18 iterations. iteration 700: trace = 2.449293550991635 (4.41097e-08% change) large trace change predicted (9.53215e-08%) linmin: converged after 17 iterations. iteration 701: trace = 2.449293548656932 (9.53215e-08% change) linmin: converged after 10 iterations. iteration 702: trace = 2.449293544302831 (1.7777e-07% change) linmin: converged after 14 iterations. iteration 703: trace = 2.449293542252224 (8.37224e-08% change) large trace change predicted (2.38125e-07%) linmin: converged after 15 iterations. iteration 704: trace = 2.449293536419747 (2.38129e-07% change) linmin: converged after 5 iterations. iteration 705: trace = 2.449293525471346 (4.47002e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.449293523232405 (9.14117e-08% change) large trace change predicted (3.81117e-07%) linmin: converged after 4 iterations. iteration 707: trace = 2.449293513897719 (3.81117e-07% change) linmin: converged after 2 iterations. iteration 708: trace = 2.44929350925396 (1.89596e-07% change) linmin: converged after 2 iterations. iteration 709: trace = 2.449293507155359 (8.56819e-08% change) large trace change predicted (3.53602e-07%) linmin: converged after 13 iterations. iteration 710: trace = 2.449293498494528 (3.53605e-07% change) linmin: converged after 7 iterations. iteration 711: trace = 2.449293493006601 (2.24062e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.449293487839301 (2.10971e-07% change) linmin: converged after 16 iterations. iteration 713: trace = 2.449293479353592 (3.46455e-07% change) linmin: converged after 4 iterations. iteration 714: trace = 2.449293468416725 (4.46532e-07% change) linmin: converged after 4 iterations. iteration 715: trace = 2.449293466204248 (9.03312e-08% change) large trace change predicted (3.94189e-07%) linmin: converged after 11 iterations. iteration 716: trace = 2.449293456549298 (3.94193e-07% change) linmin: converged after 13 iterations. iteration 717: trace = 2.449293450153768 (2.61117e-07% change) linmin: converged after 6 iterations. iteration 718: trace = 2.449293448035268 (8.64943e-08% change) large trace change predicted (1.93877e-07%) linmin: converged after 28 iterations. iteration 719: trace = 2.449293443286568 (1.9388e-07% change) linmin: converged after 15 iterations. iteration 720: trace = 2.449293436842403 (2.63103e-07% change) linmin: converged after 15 iterations. iteration 721: trace = 2.449293435159273 (6.8719e-08% change) large trace change predicted (2.37797e-07%) linmin: converged after 5 iterations. iteration 722: trace = 2.449293429334772 (2.37803e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.449293422493635 (2.79311e-07% change) linmin: converged after 4 iterations. iteration 724: trace = 2.449293419681655 (1.14808e-07% change) large trace change predicted (3.57375e-07%) linmin: converged after 5 iterations. iteration 725: trace = 2.44929341092825 (3.57385e-07% change) linmin: converged after 15 iterations. iteration 726: trace = 2.449293401365326 (3.90436e-07% change) linmin: converged after 2 iterations. iteration 727: trace = 2.449293399194356 (8.86366e-08% change) large trace change predicted (3.60791e-07%) linmin: converged after 7 iterations. iteration 728: trace = 2.449293390357389 (3.60797e-07% change) linmin: converged after 4 iterations. iteration 729: trace = 2.449293384374638 (2.44264e-07% change) linmin: converged after 5 iterations. iteration 730: trace = 2.44929338047391 (1.59259e-07% change) linmin: converged after 13 iterations. iteration 731: trace = 2.449293374939781 (2.25948e-07% change) linmin: converged after 7 iterations. iteration 732: trace = 2.449293364309407 (4.34018e-07% change) linmin: converged after 4 iterations. iteration 733: trace = 2.44929336120834 (1.26611e-07% change) large trace change predicted (2.67648e-07%) linmin: converged after 10 iterations. iteration 734: trace = 2.449293354652786 (2.67651e-07% change) linmin: converged after 3 iterations. iteration 735: trace = 2.449293347813783 (2.79223e-07% change) linmin: converged after 7 iterations. iteration 736: trace = 2.449293344877164 (1.19897e-07% change) linmin: converged after 7 iterations. iteration 737: trace = 2.449293340072515 (1.96165e-07% change) linmin: converged after 7 iterations. iteration 738: trace = 2.449293336689746 (1.38112e-07% change) linmin: converged after 4 iterations. iteration 739: trace = 2.449293334995321 (6.91801e-08% change) large trace change predicted (1.41621e-07%) linmin: converged after 7 iterations. iteration 740: trace = 2.44929333152668 (1.41618e-07% change) linmin: converged after 5 iterations. iteration 741: trace = 2.449293325592226 (2.42293e-07% change) linmin: converged after 8 iterations. iteration 742: trace = 2.449293323676253 (7.82255e-08% change) large trace change predicted (3.90224e-07%) linmin: converged after 7 iterations. iteration 743: trace = 2.449293314119286 (3.90193e-07% change) linmin: converged after 4 iterations. iteration 744: trace = 2.449293305051359 (3.70226e-07% change) linmin: converged after 4 iterations. iteration 745: trace = 2.449293301228793 (1.56068e-07% change) linmin: converged after 5 iterations. iteration 746: trace = 2.449293293759903 (3.04941e-07% change) linmin: converged after 4 iterations. iteration 747: trace = 2.449293285259246 (3.47066e-07% change) linmin: converged after 4 iterations. iteration 748: trace = 2.449293281581426 (1.50158e-07% change) large trace change predicted (4.0202e-07%) linmin: converged after 5 iterations. iteration 749: trace = 2.449293271734551 (4.02029e-07% change) linmin: converged after 10 iterations. iteration 750: trace = 2.449293261696383 (4.09839e-07% change) linmin: converged after 5 iterations. iteration 751: trace = 2.449293252047075 (3.93963e-07% change) linmin: converged after 12 iterations. iteration 752: trace = 2.449293248615245 (1.40115e-07% change) large trace change predicted (4.7991e-07%) linmin: converged after 6 iterations. iteration 753: trace = 2.449293236860091 (4.79941e-07% change) linmin: converged after 4 iterations. iteration 754: trace = 2.449293230246521 (2.7002e-07% change) linmin: converged after 4 iterations. iteration 755: trace = 2.449293227426234 (1.15147e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.449293222690805 (1.93339e-07% change) linmin: converged after 4 iterations. iteration 757: trace = 2.449293217515391 (2.11302e-07% change) linmin: converged after 24 iterations. iteration 758: trace = 2.449293216083568 (5.84586e-08% change) large trace change predicted (2.31159e-07%) linmin: converged after 7 iterations. iteration 759: trace = 2.449293210421688 (2.31164e-07% change) linmin: converged after 4 iterations. iteration 760: trace = 2.449293208256873 (8.83853e-08% change) linmin: converged after 6 iterations. iteration 761: trace = 2.449293205565157 (1.09898e-07% change) large trace change predicted (3.25563e-07%) linmin: converged after 10 iterations. iteration 762: trace = 2.449293197591006 (3.25569e-07% change) linmin: converged after 4 iterations. iteration 763: trace = 2.449293194292462 (1.34673e-07% change) large trace change predicted (3.36803e-07%) linmin: converged after 4 iterations. iteration 764: trace = 2.449293186043188 (3.36802e-07% change) linmin: converged after 7 iterations. iteration 765: trace = 2.449293178634246 (3.02493e-07% change) linmin: converged after 7 iterations. iteration 766: trace = 2.449293171716965 (2.8242e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.449293166292309 (2.21478e-07% change) linmin: converged after 4 iterations. iteration 768: trace = 2.449293155738745 (4.30882e-07% change) large trace change predicted (3.21908e-06%) linmin: converged after 4 iterations. iteration 769: trace = 2.449293076889345 (3.21927e-06% change) resetting CG direction... linmin: converged after 5 iterations. iteration 770: trace = 2.449293050944771 (1.05927e-06% change) linmin: converged after 2 iterations. iteration 771: trace = 2.449293028044838 (9.34961e-07% change) linmin: converged after 2 iterations. iteration 772: trace = 2.449293016110505 (4.87256e-07% change) linmin: converged after 15 iterations. iteration 773: trace = 2.449293013072651 (1.2403e-07% change) large trace change predicted (3.54214e-07%) linmin: converged after 4 iterations. iteration 774: trace = 2.44929300439681 (3.54218e-07% change) linmin: converged after 4 iterations. iteration 775: trace = 2.449293002083938 (9.44302e-08% change) linmin: converged after 3 iterations. iteration 776: trace = 2.449292999655202 (9.91607e-08% change) linmin: converged after 8 iterations. iteration 777: trace = 2.449292995709639 (1.6109e-07% change) linmin: converged after 7 iterations. iteration 778: trace = 2.449292993842816 (7.62189e-08% change) linmin: converged after 4 iterations. iteration 779: trace = 2.449292990190584 (1.49114e-07% change) linmin: converged after 6 iterations. iteration 780: trace = 2.44929298653819 (1.4912e-07% change) linmin: converged after 17 iterations. iteration 781: trace = 2.44929298559593 (3.84707e-08% change) linmin: converged after 8 iterations. iteration 782: trace = 2.449292984279377 (5.37524e-08% change) linmin: converged after 4 iterations. iteration 783: trace = 2.449292982473056 (7.37487e-08% change) linmin: converged after 4 iterations. iteration 784: trace = 2.449292981266213 (4.92731e-08% change) linmin: converged after 7 iterations. iteration 785: trace = 2.449292978945507 (9.47501e-08% change) linmin: converged after 4 iterations. iteration 786: trace = 2.449292975044584 (1.59267e-07% change) linmin: converged after 4 iterations. iteration 787: trace = 2.449292973549084 (6.10584e-08% change) linmin: converged after 7 iterations. iteration 788: trace = 2.449292971104859 (9.97931e-08% change) linmin: converged after 4 iterations. iteration 789: trace = 2.449292967183476 (1.60103e-07% change) linmin: converged after 4 iterations. iteration 790: trace = 2.449292965303232 (7.67668e-08% change) large trace change predicted (1.98171e-07%) linmin: converged after 6 iterations. iteration 791: trace = 2.449292960449499 (1.98169e-07% change) linmin: converged after 8 iterations. iteration 792: trace = 2.4492929565545 (1.59025e-07% change) linmin: converged after 4 iterations. iteration 793: trace = 2.449292954187952 (9.66217e-08% change) linmin: converged after 7 iterations. iteration 794: trace = 2.449292952501317 (6.88621e-08% change) large trace change predicted (1.50297e-07%) linmin: converged after 6 iterations. iteration 795: trace = 2.449292948820074 (1.50298e-07% change) linmin: converged after 6 iterations. iteration 796: trace = 2.449292946578884 (9.15035e-08% change) linmin: converged after 6 iterations. iteration 797: trace = 2.4492929440756 (1.02204e-07% change) linmin: converged after 6 iterations. iteration 798: trace = 2.44929294184444 (9.1094e-08% change) linmin: converged after 4 iterations. iteration 799: trace = 2.449292939411533 (9.9331e-08% change) linmin: converged after 6 iterations. iteration 800: trace = 2.449292938905594 (2.06565e-08% change) large trace change predicted (6.53231e-08%) linmin: converged after 7 iterations. iteration 801: trace = 2.449292937305603 (6.53246e-08% change) linmin: converged after 3 iterations. iteration 802: trace = 2.449292936225631 (4.40932e-08% change) linmin: converged after 6 iterations. iteration 803: trace = 2.449292935795456 (1.75632e-08% change) large trace change predicted (5.78056e-08%) linmin: converged after 5 iterations. iteration 804: trace = 2.449292934379625 (5.78057e-08% change) linmin: converged after 4 iterations. iteration 805: trace = 2.44929293196233 (9.86936e-08% change) linmin: converged after 3 iterations. iteration 806: trace = 2.449292930871808 (4.45239e-08% change) linmin: converged after 4 iterations. iteration 807: trace = 2.449292929025036 (7.54002e-08% change) linmin: converged after 4 iterations. iteration 808: trace = 2.449292926416139 (1.06516e-07% change) linmin: converged after 15 iterations. iteration 809: trace = 2.449292925160456 (5.12671e-08% change) linmin: converged after 4 iterations. iteration 810: trace = 2.449292923510468 (6.73659e-08% change) linmin: converged after 7 iterations. iteration 811: trace = 2.449292921055966 (1.00213e-07% change) linmin: converged after 4 iterations. iteration 812: trace = 2.44929292054098 (2.10259e-08% change) large trace change predicted (8.54323e-08%) linmin: converged after 12 iterations. iteration 813: trace = 2.449292918448503 (8.54319e-08% change) linmin: converged after 4 iterations. iteration 814: trace = 2.449292916791608 (6.76479e-08% change) linmin: converged after 11 iterations. iteration 815: trace = 2.449292916082057 (2.89696e-08% change) large trace change predicted (1.1322e-07%) linmin: converged after 4 iterations. iteration 816: trace = 2.449292913308978 (1.1322e-07% change) linmin: converged after 7 iterations. iteration 817: trace = 2.449292910912646 (9.78377e-08% change) linmin: converged after 5 iterations. iteration 818: trace = 2.449292910358037 (2.26436e-08% change) linmin: converged after 4 iterations. iteration 819: trace = 2.449292909287076 (4.37253e-08% change) linmin: converged after 7 iterations. iteration 820: trace = 2.449292907754324 (6.25793e-08% change) linmin: converged after 4 iterations. iteration 821: trace = 2.44929290726912 (1.981e-08% change) large trace change predicted (6.32519e-08%) linmin: converged after 24 iterations. iteration 822: trace = 2.449292905719897 (6.32518e-08% change) linmin: converged after 4 iterations. iteration 823: trace = 2.449292904359893 (5.55264e-08% change) linmin: converged after 13 iterations. iteration 824: trace = 2.44929290315872 (4.90416e-08% change) linmin: converged after 4 iterations. iteration 825: trace = 2.449292902439177 (2.93775e-08% change) large trace change predicted (7.29904e-08%) linmin: converged after 4 iterations. iteration 826: trace = 2.449292900651435 (7.29901e-08% change) linmin: converged after 4 iterations. iteration 827: trace = 2.449292899871154 (3.18574e-08% change) large trace change predicted (7.14704e-08%) linmin: converged after 6 iterations. iteration 828: trace = 2.449292898120633 (7.14704e-08% change) linmin: converged after 4 iterations. iteration 829: trace = 2.44929289644922 (6.82407e-08% change) linmin: converged after 17 iterations. iteration 830: trace = 2.449292895568439 (3.59606e-08% change) linmin: converged after 4 iterations. iteration 831: trace = 2.449292894770636 (3.25728e-08% change) large trace change predicted (6.70632e-08%) linmin: converged after 4 iterations. iteration 832: trace = 2.449292893128064 (6.70631e-08% change) linmin: converged after 4 iterations. iteration 833: trace = 2.449292892711513 (1.7007e-08% change) large trace change predicted (4.89608e-08%) linmin: converged after 5 iterations. iteration 834: trace = 2.449292891512315 (4.8961e-08% change) linmin: converged after 12 iterations. iteration 835: trace = 2.449292890071998 (5.88054e-08% change) linmin: converged after 4 iterations. iteration 836: trace = 2.449292888707991 (5.56899e-08% change) linmin: converged after 10 iterations. iteration 837: trace = 2.449292888072222 (2.59572e-08% change) linmin: converged after 3 iterations. iteration 838: trace = 2.449292887317911 (3.07971e-08% change) linmin: converged after 4 iterations. iteration 839: trace = 2.449292886820534 (2.0307e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 840: trace = 2.449292886663034 (6.43042e-09% change) large trace change predicted (1.2912e-08%) linmin: converged after 4 iterations. iteration 841: trace = 2.449292886346788 (1.29117e-08% change) linmin: converged after 21 iterations. iteration 842: trace = 2.449292885792505 (2.26303e-08% change) linmin: converged after 4 iterations. iteration 843: trace = 2.449292885533664 (1.0568e-08% change) large trace change predicted (6.39695e-08%) linmin: converged after 4 iterations. iteration 844: trace = 2.449292883966869 (6.39693e-08% change) linmin: converged after 4 iterations. iteration 845: trace = 2.449292882776127 (4.86158e-08% change) linmin: converged after 4 iterations. iteration 846: trace = 2.44929288219734 (2.36308e-08% change) linmin: converged after 4 iterations. iteration 847: trace = 2.449292881068467 (4.60898e-08% change) linmin: converged after 4 iterations. iteration 848: trace = 2.449292880030361 (4.23839e-08% change) linmin: converged after 4 iterations. iteration 849: trace = 2.449292879581204 (1.83382e-08% change) large trace change predicted (4.97834e-08%) linmin: converged after 4 iterations. iteration 850: trace = 2.449292878361861 (4.97835e-08% change) linmin: converged after 13 iterations. iteration 851: trace = 2.449292877674381 (2.80685e-08% change) linmin: converged after 3 iterations. iteration 852: trace = 2.449292876599154 (4.38995e-08% change) linmin: converged after 12 iterations. iteration 853: trace = 2.449292874813741 (7.2895e-08% change) linmin: converged after 6 iterations. iteration 854: trace = 2.449292873984671 (3.38494e-08% change) linmin: converged after 4 iterations. iteration 855: trace = 2.449292873210549 (3.16059e-08% change) linmin: converged after 22 iterations. iteration 856: trace = 2.449292871961519 (5.09955e-08% change) linmin: converged after 5 iterations. iteration 857: trace = 2.449292870939143 (4.17417e-08% change) linmin: converged after 4 iterations. iteration 858: trace = 2.449292870574498 (1.48878e-08% change) large trace change predicted (4.03523e-08%) linmin: converged after 7 iterations. iteration 859: trace = 2.449292869586152 (4.03523e-08% change) linmin: converged after 14 iterations. iteration 860: trace = 2.449292868747079 (3.42578e-08% change) linmin: converged after 10 iterations. iteration 861: trace = 2.44929286836814 (1.54714e-08% change) linmin: converged after 4 iterations. iteration 862: trace = 2.44929286761192 (3.0875e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.449292866153526 (5.95435e-08% change) linmin: converged after 4 iterations. iteration 864: trace = 2.449292865752945 (1.6355e-08% change) large trace change predicted (8.29358e-08%) linmin: converged after 4 iterations. iteration 865: trace = 2.44929286372159 (8.29364e-08% change) linmin: converged after 4 iterations. iteration 866: trace = 2.449292862322135 (5.71371e-08% change) linmin: converged after 10 iterations. iteration 867: trace = 2.449292861850314 (1.92636e-08% change) linmin: converged after 3 iterations. iteration 868: trace = 2.449292860966873 (3.60693e-08% change) linmin: converged after 4 iterations. iteration 869: trace = 2.449292859552119 (5.77617e-08% change) linmin: converged after 4 iterations. iteration 870: trace = 2.449292859154904 (1.62175e-08% change) large trace change predicted (4.8918e-08%) linmin: converged after 10 iterations. iteration 871: trace = 2.449292857956749 (4.89184e-08% change) linmin: converged after 2 iterations. iteration 872: trace = 2.449292856382815 (6.42607e-08% change) linmin: converged after 9 iterations. iteration 873: trace = 2.449292855380105 (4.09388e-08% change) linmin: converged after 4 iterations. iteration 874: trace = 2.449292854638 (3.02987e-08% change) linmin: converged after 4 iterations. iteration 875: trace = 2.449292853422763 (4.96158e-08% change) linmin: converged after 5 iterations. iteration 876: trace = 2.449292852498708 (3.77274e-08% change) linmin: converged after 14 iterations. iteration 877: trace = 2.44929285225404 (9.98934e-09% change) linmin: converged after 3 iterations. iteration 878: trace = 2.449292851784123 (1.91858e-08% change) linmin: converged after 4 iterations. iteration 879: trace = 2.449292851010172 (3.15989e-08% change) linmin: converged after 4 iterations. iteration 880: trace = 2.449292850751648 (1.05551e-08% change) large trace change predicted (4.84129e-08%) linmin: converged after 8 iterations. iteration 881: trace = 2.449292849565906 (4.84116e-08% change) linmin: converged after 5 iterations. iteration 882: trace = 2.449292848174789 (5.67967e-08% change) linmin: converged after 18 iterations. iteration 883: trace = 2.44929284758822 (2.39485e-08% change) large trace change predicted (5.19972e-08%) linmin: converged after 12 iterations. iteration 884: trace = 2.449292846314686 (5.1996e-08% change) linmin: converged after 5 iterations. iteration 885: trace = 2.449292844211046 (8.58876e-08% change) linmin: converged after 4 iterations. iteration 886: trace = 2.449292843787505 (1.72924e-08% change) large trace change predicted (5.4608e-08%) linmin: converged after 10 iterations. iteration 887: trace = 2.449292842449995 (5.4608e-08% change) linmin: converged after 5 iterations. iteration 888: trace = 2.449292840974808 (6.02291e-08% change) linmin: converged after 6 iterations. iteration 889: trace = 2.449292840239777 (3.00099e-08% change) large trace change predicted (8.99008e-08%) linmin: converged after 7 iterations. iteration 890: trace = 2.449292838037817 (8.99019e-08% change) linmin: converged after 11 iterations. iteration 891: trace = 2.449292836459192 (6.44523e-08% change) linmin: converged after 5 iterations. iteration 892: trace = 2.449292836045462 (1.68918e-08% change) large trace change predicted (5.18763e-08%) linmin: converged after 41 iterations. iteration 893: trace = 2.449292834774843 (5.1877e-08% change) linmin: converged after 12 iterations. iteration 894: trace = 2.449292833546775 (5.01397e-08% change) linmin: converged after 4 iterations. iteration 895: trace = 2.449292833176676 (1.51104e-08% change) large trace change predicted (3.96536e-08%) linmin: converged after 6 iterations. iteration 896: trace = 2.449292832205436 (3.96539e-08% change) linmin: converged after 3 iterations. iteration 897: trace = 2.449292831623656 (2.3753e-08% change) linmin: converged after 3 iterations. iteration 898: trace = 2.449292831317547 (1.24978e-08% change) linmin: converged after 4 iterations. iteration 899: trace = 2.449292830721409 (2.43392e-08% change) linmin: converged after 2 iterations. iteration 900: trace = 2.449292829813082 (3.70853e-08% change) linmin: converged after 7 iterations. iteration 901: trace = 2.449292829246363 (2.31381e-08% change) large trace change predicted (4.93449e-08%) linmin: converged after 4 iterations. iteration 902: trace = 2.449292828037762 (4.93449e-08% change) linmin: converged after 4 iterations. iteration 903: trace = 2.449292826549731 (6.07535e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.449292826112185 (1.78642e-08% change) linmin: converged after 4 iterations. iteration 905: trace = 2.449292825291375 (3.35121e-08% change) large trace change predicted (8.60286e-08%) linmin: converged after 4 iterations. iteration 906: trace = 2.449292823184289 (8.60283e-08% change) linmin: converged after 14 iterations. iteration 907: trace = 2.449292822541658 (2.62374e-08% change) large trace change predicted (1.33293e-07%) linmin: converged after 4 iterations. iteration 908: trace = 2.449292819276921 (1.33293e-07% change) linmin: converged after 16 iterations. iteration 909: trace = 2.449292814908259 (1.78364e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 910: trace = 2.449292812393064 (1.02691e-07% change) linmin: converged after 4 iterations. iteration 911: trace = 2.449292810570963 (7.43929e-08% change) linmin: converged after 4 iterations. iteration 912: trace = 2.449292808084921 (1.015e-07% change) linmin: converged after 3 iterations. iteration 913: trace = 2.449292806858005 (5.00927e-08% change) linmin: converged after 7 iterations. iteration 914: trace = 2.449292806344212 (2.09772e-08% change) linmin: converged after 2 iterations. iteration 915: trace = 2.449292805675946 (2.7284e-08% change) linmin: converged after 8 iterations. iteration 916: trace = 2.449292805068025 (2.48203e-08% change) linmin: converged after 2 iterations. iteration 917: trace = 2.449292804596136 (1.92664e-08% change) large trace change predicted (4.07602e-08%) linmin: converged after 4 iterations. iteration 918: trace = 2.449292803597798 (4.07602e-08% change) linmin: converged after 20 iterations. iteration 919: trace = 2.449292803399901 (8.07975e-09% change) large trace change predicted (1.9408e-08%) linmin: converged after 4 iterations. iteration 920: trace = 2.449292802924537 (1.94082e-08% change) linmin: converged after 4 iterations. iteration 921: trace = 2.449292802465405 (1.87455e-08% change) linmin: converged after 24 iterations. iteration 922: trace = 2.449292802340246 (5.10997e-09% change) large trace change predicted (1.44896e-08%) linmin: converged after 5 iterations. iteration 923: trace = 2.449292801985368 (1.4489e-08% change) linmin: converged after 4 iterations. iteration 924: trace = 2.449292801428902 (2.27195e-08% change) linmin: converged after 4 iterations. iteration 925: trace = 2.449292801204366 (9.16738e-09% change) large trace change predicted (3.11662e-08%) linmin: converged after 5 iterations. iteration 926: trace = 2.449292800441025 (3.11658e-08% change) linmin: converged after 4 iterations. iteration 927: trace = 2.449292799791718 (2.651e-08% change) linmin: converged after 3 iterations. iteration 928: trace = 2.449292799491786 (1.22457e-08% change) large trace change predicted (2.89188e-08%) linmin: converged after 6 iterations. iteration 929: trace = 2.449292798783482 (2.89187e-08% change) linmin: converged after 4 iterations. iteration 930: trace = 2.449292797840208 (3.85121e-08% change) linmin: converged after 9 iterations. iteration 931: trace = 2.449292797400267 (1.7962e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.449292796885245 (2.10273e-08% change) linmin: converged after 4 iterations. iteration 933: trace = 2.449292796132202 (3.07453e-08% change) linmin: converged after 2 iterations. iteration 934: trace = 2.449292795931357 (8.20013e-09% change) large trace change predicted (3.19787e-08%) linmin: converged after 9 iterations. iteration 935: trace = 2.44929279514811 (3.19785e-08% change) linmin: converged after 7 iterations. iteration 936: trace = 2.449292794493852 (2.67121e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.449292794030775 (1.89065e-08% change) linmin: converged after 4 iterations. iteration 938: trace = 2.44929279386145 (6.91324e-09% change) large trace change predicted (2.03651e-08%) linmin: converged after 6 iterations. iteration 939: trace = 2.449292793362641 (2.03654e-08% change) linmin: converged after 2 iterations. iteration 940: trace = 2.449292793128961 (9.5407e-09% change) linmin: converged after 4 iterations. iteration 941: trace = 2.449292792997828 (5.35391e-09% change) linmin: converged after 3 iterations. iteration 942: trace = 2.449292792763263 (9.57684e-09% change) linmin: converged after 4 iterations. iteration 943: trace = 2.44929279237176 (1.59843e-08% change) linmin: converged after 4 iterations. iteration 944: trace = 2.449292792190978 (7.38103e-09% change) large trace change predicted (1.71223e-08%) linmin: converged after 6 iterations. iteration 945: trace = 2.449292791771602 (1.71223e-08% change) linmin: converged after 6 iterations. iteration 946: trace = 2.449292791299036 (1.9294e-08% change) linmin: converged after 4 iterations. iteration 947: trace = 2.449292791119835 (7.31644e-09% change) large trace change predicted (2.17749e-08%) linmin: converged after 3 iterations. iteration 948: trace = 2.449292790586502 (2.1775e-08% change) linmin: converged after 4 iterations. iteration 949: trace = 2.449292790121263 (1.89948e-08% change) linmin: converged after 2 iterations. iteration 950: trace = 2.449292789926099 (7.96815e-09% change) linmin: converged after 8 iterations. iteration 951: trace = 2.449292789538755 (1.58145e-08% change) linmin: converged after 10 iterations. iteration 952: trace = 2.449292789140467 (1.62614e-08% change) linmin: converged after 6 iterations. iteration 953: trace = 2.449292788976283 (6.70331e-09% change) linmin: converged after 22 iterations. iteration 954: trace = 2.449292788681762 (1.20247e-08% change) large trace change predicted (2.62115e-08%) linmin: converged after 4 iterations. iteration 955: trace = 2.449292788039787 (2.62106e-08% change) linmin: converged after 6 iterations. iteration 956: trace = 2.449292787913581 (5.15276e-09% change) large trace change predicted (1.67446e-08%) linmin: converged after 4 iterations. iteration 957: trace = 2.449292787503457 (1.67446e-08% change) linmin: converged after 4 iterations. iteration 958: trace = 2.449292787290118 (8.71022e-09% change) linmin: converged after 4 iterations. iteration 959: trace = 2.449292787196471 (3.82344e-09% change) large trace change predicted (9.18532e-09%) linmin: converged after 5 iterations. iteration 960: trace = 2.449292786971499 (9.18517e-09% change) linmin: converged after 4 iterations. iteration 961: trace = 2.449292786682367 (1.18047e-08% change) linmin: converged after 4 iterations. iteration 962: trace = 2.449292786570358 (4.57312e-09% change) large trace change predicted (1.07073e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.449292786308102 (1.07074e-08% change) linmin: converged after 4 iterations. iteration 964: trace = 2.449292786049144 (1.05728e-08% change) linmin: converged after 4 iterations. iteration 965: trace = 2.449292785911144 (5.63427e-09% change) large trace change predicted (1.4625e-08%) linmin: converged after 17 iterations. iteration 966: trace = 2.449292785552943 (1.46247e-08% change) linmin: converged after 4 iterations. iteration 967: trace = 2.449292785055311 (2.03174e-08% change) linmin: converged after 5 iterations. iteration 968: trace = 2.449292784832112 (9.11282e-09% change) linmin: converged after 4 iterations. iteration 969: trace = 2.44929278463757 (7.94275e-09% change) linmin: converged after 4 iterations. iteration 970: trace = 2.449292784386425 (1.02538e-08% change) linmin: converged after 5 iterations. iteration 971: trace = 2.449292784060509 (1.33066e-08% change) linmin: converged after 6 iterations. iteration 972: trace = 2.449292783980661 (3.26003e-09% change) large trace change predicted (1.10923e-08%) linmin: converged after 18 iterations. iteration 973: trace = 2.449292783708979 (1.10923e-08% change) linmin: converged after 13 iterations. iteration 974: trace = 2.44929278345733 (1.02743e-08% change) linmin: converged after 4 iterations. iteration 975: trace = 2.449292783338016 (4.87138e-09% change) large trace change predicted (1.2259e-08%) linmin: converged after 4 iterations. iteration 976: trace = 2.449292783037754 (1.22591e-08% change) linmin: converged after 20 iterations. iteration 977: trace = 2.449292782924272 (4.63326e-09% change) linmin: converged after 5 iterations. iteration 978: trace = 2.449292782877337 (1.91626e-09% change) linmin: converged after 4 iterations. iteration 979: trace = 2.449292782801074 (3.11367e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.449292782736586 (2.63292e-09% change) linmin: converged after 4 iterations. iteration 981: trace = 2.449292782706129 (1.24352e-09% change) large trace change predicted (4.40222e-09%) linmin: converged after 5 iterations. iteration 982: trace = 2.449292782598297 (4.40258e-09% change) linmin: converged after 15 iterations. iteration 983: trace = 2.449292782386536 (8.64581e-09% change) linmin: converged after 5 iterations. iteration 984: trace = 2.449292782280218 (4.34075e-09% change) large trace change predicted (1.06397e-08%) linmin: converged after 4 iterations. iteration 985: trace = 2.44929278201962 (1.06398e-08% change) linmin: converged after 22 iterations. iteration 986: trace = 2.449292781781561 (9.71948e-09% change) linmin: converged after 17 iterations. iteration 987: trace = 2.44929278169817 (3.40468e-09% change) large trace change predicted (1.20999e-08%) linmin: converged after 4 iterations. iteration 988: trace = 2.449292781401811 (1.20998e-08% change) linmin: converged after 4 iterations. iteration 989: trace = 2.449292781260783 (5.75789e-09% change) linmin: converged after 15 iterations. iteration 990: trace = 2.449292781153036 (4.39911e-09% change) large trace change predicted (1.05717e-08%) linmin: converged after 4 iterations. iteration 991: trace = 2.449292780894103 (1.05718e-08% change) linmin: converged after 4 iterations. iteration 992: trace = 2.449292780607391 (1.17059e-08% change) linmin: converged after 9 iterations. iteration 993: trace = 2.449292780455747 (6.19132e-09% change) linmin: converged after 4 iterations. iteration 994: trace = 2.449292780160332 (1.20613e-08% change) linmin: converged after 4 iterations. iteration 995: trace = 2.449292779996815 (6.67606e-09% change) linmin: converged after 8 iterations. iteration 996: trace = 2.449292779835605 (6.58192e-09% change) linmin: converged after 5 iterations. iteration 997: trace = 2.449292779615555 (8.98423e-09% change) linmin: converged after 4 iterations. iteration 998: trace = 2.449292779407375 (8.49957e-09% change) linmin: converged after 4 iterations. iteration 999: trace = 2.449292779348755 (2.39337e-09% change) large trace change predicted (7.53794e-09%) linmin: converged after 5 iterations. iteration 1000: trace = 2.449292779164133 (7.53775e-09% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.449292779034311 (5.3004e-09% change) linmin: converged after 3 iterations. iteration 1002: trace = 2.449292778951312 (3.38869e-09% change) large trace change predicted (1.29179e-08%) linmin: converged after 9 iterations. iteration 1003: trace = 2.449292778634904 (1.29183e-08% change) linmin: converged after 2 iterations. iteration 1004: trace = 2.449292778249367 (1.57407e-08% change) linmin: converged after 9 iterations. iteration 1005: trace = 2.449292778178586 (2.88988e-09% change) large trace change predicted (9.92933e-09%) linmin: converged after 4 iterations. iteration 1006: trace = 2.449292777935386 (9.92938e-09% change) linmin: converged after 5 iterations. iteration 1007: trace = 2.449292777673786 (1.06807e-08% change) linmin: converged after 3 iterations. iteration 1008: trace = 2.449292777479335 (7.93905e-09% change) linmin: converged after 7 iterations. iteration 1009: trace = 2.449292777311001 (6.87275e-09% change) linmin: converged after 11 iterations. iteration 1010: trace = 2.449292777087547 (9.12321e-09% change) linmin: converged after 7 iterations. iteration 1011: trace = 2.449292776924163 (6.67066e-09% change) linmin: converged after 7 iterations. iteration 1012: trace = 2.449292776731667 (7.85924e-09% change) linmin: converged after 7 iterations. iteration 1013: trace = 2.449292776449633 (1.15149e-08% change) linmin: converged after 5 iterations. iteration 1014: trace = 2.449292776244336 (8.38188e-09% change) linmin: converged after 18 iterations. iteration 1015: trace = 2.449292776098047 (5.97273e-09% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.44929277588989 (8.49862e-09% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.449292775788705 (4.1312e-09% change) linmin: converged after 16 iterations. iteration 1018: trace = 2.449292775740269 (1.97755e-09% change) large trace change predicted (6.09887e-09%) linmin: converged after 4 iterations. iteration 1019: trace = 2.449292775590888 (6.09896e-09% change) linmin: converged after 6 iterations. iteration 1020: trace = 2.449292775459265 (5.37393e-09% change) linmin: converged after 4 iterations. iteration 1021: trace = 2.449292775319269 (5.71575e-09% change) large trace change predicted (1.17394e-08%) linmin: converged after 4 iterations. iteration 1022: trace = 2.449292775031733 (1.17395e-08% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.449292774727794 (1.24093e-08% change) linmin: converged after 3 iterations. iteration 1024: trace = 2.4492927746411 (3.53952e-09% change) large trace change predicted (1.7448e-08%) linmin: converged after 4 iterations. iteration 1025: trace = 2.449292774213753 (1.74478e-08% change) linmin: converged after 18 iterations. iteration 1026: trace = 2.449292773988128 (9.21187e-09% change) linmin: converged after 3 iterations. iteration 1027: trace = 2.449292773860159 (5.2247e-09% change) large trace change predicted (1.10361e-08%) linmin: converged after 5 iterations. iteration 1028: trace = 2.449292773589856 (1.1036e-08% change) linmin: converged after 12 iterations. iteration 1029: trace = 2.449292773127269 (1.88866e-08% change) linmin: converged after 7 iterations. iteration 1030: trace = 2.449292773046314 (3.30523e-09% change) large trace change predicted (1.46883e-08%) linmin: converged after 19 iterations. iteration 1031: trace = 2.449292772686544 (1.46887e-08% change) linmin: converged after 12 iterations. iteration 1032: trace = 2.449292772447815 (9.74686e-09% change) linmin: converged after 4 iterations. iteration 1033: trace = 2.449292772363141 (3.45708e-09% change) large trace change predicted (1.02046e-08%) linmin: converged after 4 iterations. iteration 1034: trace = 2.449292772113195 (1.02048e-08% change) linmin: converged after 4 iterations. iteration 1035: trace = 2.449292771901972 (8.62384e-09% change) linmin: converged after 15 iterations. iteration 1036: trace = 2.449292771859989 (1.71412e-09% change) large trace change predicted (4.99843e-09%) linmin: converged after 4 iterations. iteration 1037: trace = 2.449292771737559 (4.99855e-09% change) linmin: converged after 11 iterations. iteration 1038: trace = 2.449292771574586 (6.65389e-09% change) linmin: converged after 4 iterations. iteration 1039: trace = 2.449292771444928 (5.29371e-09% change) linmin: converged after 17 iterations. iteration 1040: trace = 2.449292771376859 (2.77911e-09% change) large trace change predicted (1.16963e-08%) linmin: converged after 2 iterations. iteration 1041: trace = 2.449292771090374 (1.16967e-08% change) linmin: converged after 17 iterations. iteration 1042: trace = 2.449292770860522 (9.38441e-09% change) linmin: converged after 4 iterations. iteration 1043: trace = 2.449292770740974 (4.8809e-09% change) linmin: converged after 4 iterations. iteration 1044: trace = 2.449292770522123 (8.93528e-09% change) linmin: converged after 3 iterations. iteration 1045: trace = 2.449292770200719 (1.31223e-08% change) linmin: converged after 3 iterations. iteration 1046: trace = 2.44929277003367 (6.8203e-09% change) large trace change predicted (2.04497e-08%) linmin: converged after 6 iterations. iteration 1047: trace = 2.449292769532792 (2.04499e-08% change) linmin: converged after 5 iterations. iteration 1048: trace = 2.449292769219966 (1.27721e-08% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.44929276879008 (1.75514e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1050: trace = 2.449292768390965 (1.62951e-08% change) linmin: converged after 6 iterations. iteration 1051: trace = 2.449292768128785 (1.07043e-08% change) linmin: converged after 12 iterations. iteration 1052: trace = 2.449292767724566 (1.65035e-08% change) linmin: converged after 9 iterations. iteration 1053: trace = 2.449292767603756 (4.93243e-09% change) large trace change predicted (1.02129e-08%) linmin: converged after 10 iterations. iteration 1054: trace = 2.449292767353613 (1.02129e-08% change) linmin: converged after 4 iterations. iteration 1055: trace = 2.449292767190382 (6.6644e-09% change) linmin: converged after 27 iterations. iteration 1056: trace = 2.449292767108253 (3.35317e-09% change) linmin: converged after 4 iterations. iteration 1057: trace = 2.449292766948267 (6.53192e-09% change) linmin: converged after 3 iterations. iteration 1058: trace = 2.44929276676254 (7.5829e-09% change) linmin: converged after 4 iterations. iteration 1059: trace = 2.449292766721548 (1.67361e-09% change) large trace change predicted (3.82108e-09%) linmin: converged after 3 iterations. iteration 1060: trace = 2.44929276662795 (3.82145e-09% change) linmin: converged after 3 iterations. iteration 1061: trace = 2.449292766522554 (4.30313e-09% change) linmin: converged after 6 iterations. iteration 1062: trace = 2.449292766486206 (1.48401e-09% change) large trace change predicted (3.15479e-09%) linmin: converged after 5 iterations. iteration 1063: trace = 2.449292766408937 (3.15472e-09% change) linmin: converged after 5 iterations. iteration 1064: trace = 2.449292766281056 (5.22115e-09% change) linmin: converged after 18 iterations. iteration 1065: trace = 2.449292766234763 (1.89005e-09% change) large trace change predicted (6.12863e-09%) linmin: converged after 4 iterations. iteration 1066: trace = 2.449292766084668 (6.12813e-09% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.449292765939092 (5.94356e-09% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.449292765766888 (7.03078e-09% change) linmin: converged after 5 iterations. iteration 1069: trace = 2.449292765695915 (2.89769e-09% change) large trace change predicted (8.797e-09%) linmin: converged after 4 iterations. iteration 1070: trace = 2.449292765480459 (8.79665e-09% change) linmin: converged after 15 iterations. iteration 1071: trace = 2.449292765362018 (4.83571e-09% change) linmin: converged after 8 iterations. iteration 1072: trace = 2.449292765301362 (2.4765e-09% change) large trace change predicted (5.04e-09%) linmin: converged after 24 iterations. iteration 1073: trace = 2.449292765177919 (5.03993e-09% change) linmin: converged after 13 iterations. iteration 1074: trace = 2.44929276508768 (3.6843e-09% change) linmin: converged after 4 iterations. iteration 1075: trace = 2.449292764952729 (5.5098e-09% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.449292764804856 (6.03735e-09% change) linmin: converged after 10 iterations. iteration 1077: trace = 2.449292764759179 (1.86492e-09% change) linmin: converged after 4 iterations. iteration 1078: trace = 2.449292764670067 (3.63829e-09% change) linmin: converged after 5 iterations. iteration 1079: trace = 2.449292764576132 (3.83516e-09% change) linmin: converged after 20 iterations. iteration 1080: trace = 2.449292764508781 (2.74985e-09% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.44929276448999 (7.67173e-10% change) large trace change predicted (2.00185e-09%) linmin: converged after 4 iterations. iteration 1082: trace = 2.449292764440962 (2.00172e-09% change) linmin: converged after 3 iterations. iteration 1083: trace = 2.449292764352703 (3.60347e-09% change) linmin: converged after 6 iterations. iteration 1084: trace = 2.449292764319538 (1.35407e-09% change) large trace change predicted (4.4461e-09%) linmin: converged after 2 iterations. iteration 1085: trace = 2.449292764210626 (4.44665e-09% change) linmin: converged after 8 iterations. iteration 1086: trace = 2.449292764104184 (4.34582e-09% change) linmin: converged after 6 iterations. iteration 1087: trace = 2.449292764040278 (2.60915e-09% change) linmin: converged after 6 iterations. iteration 1088: trace = 2.449292763952479 (3.58469e-09% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.449292763865729 (3.54185e-09% change) linmin: converged after 20 iterations. iteration 1090: trace = 2.449292763825361 (1.64816e-09% change) large trace change predicted (3.82418e-09%) linmin: converged after 10 iterations. iteration 1091: trace = 2.449292763731694 (3.82424e-09% change) linmin: converged after 5 iterations. iteration 1092: trace = 2.449292763656467 (3.07137e-09% change) linmin: converged after 18 iterations. iteration 1093: trace = 2.449292763623592 (1.34223e-09% change) large trace change predicted (2.95482e-09%) linmin: converged after 9 iterations. iteration 1094: trace = 2.449292763551219 (2.95484e-09% change) linmin: converged after 14 iterations. iteration 1095: trace = 2.44929276342259 (5.25168e-09% change) linmin: converged after 3 iterations. iteration 1096: trace = 2.449292763402339 (8.26788e-10% change) large trace change predicted (3.71481e-09%) linmin: converged after 3 iterations. iteration 1097: trace = 2.449292763311348 (3.715e-09% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.449292763266317 (1.83855e-09% change) linmin: converged after 13 iterations. iteration 1099: trace = 2.44929276323546 (1.25984e-09% change) linmin: converged after 9 iterations. iteration 1100: trace = 2.449292763202825 (1.33242e-09% change) large trace change predicted (2.87019e-09%) linmin: converged after 12 iterations. iteration 1101: trace = 2.449292763132513 (2.87071e-09% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.449292763104338 (1.15031e-09% change) linmin: converged after 4 iterations. iteration 1103: trace = 2.449292763058433 (1.87423e-09% change) linmin: converged after 2 iterations. iteration 1104: trace = 2.449292762984287 (3.02724e-09% change) linmin: converged after 3 iterations. iteration 1105: trace = 2.449292762938214 (1.88107e-09% change) linmin: converged after 5 iterations. iteration 1106: trace = 2.449292762890886 (1.93229e-09% change) large trace change predicted (4.35628e-09%) linmin: converged after 5 iterations. iteration 1107: trace = 2.449292762784181 (4.35659e-09% change) linmin: converged after 6 iterations. iteration 1108: trace = 2.449292762726238 (2.36568e-09% change) linmin: converged after 13 iterations. iteration 1109: trace = 2.449292762693443 (1.33894e-09% change) linmin: converged after 14 iterations. iteration 1110: trace = 2.449292762642759 (2.06933e-09% change) linmin: converged after 3 iterations. iteration 1111: trace = 2.449292762605331 (1.52813e-09% change) linmin: converged after 20 iterations. iteration 1112: trace = 2.449292762561192 (1.80213e-09% change) linmin: converged after 5 iterations. iteration 1113: trace = 2.449292762488975 (2.94846e-09% change) linmin: converged after 4 iterations. iteration 1114: trace = 2.449292762463506 (1.03987e-09% change) large trace change predicted (2.25058e-09%) linmin: converged after 4 iterations. iteration 1115: trace = 2.449292762408382 (2.25061e-09% change) linmin: converged after 4 iterations. iteration 1116: trace = 2.449292762349442 (2.40641e-09% change) linmin: converged after 6 iterations. iteration 1117: trace = 2.449292762320745 (1.17163e-09% change) linmin: converged after 4 iterations. iteration 1118: trace = 2.449292762312784 (3.25058e-10% change) linmin: converged after 6 iterations. iteration 1119: trace = 2.449292762302037 (4.3876e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1120: trace = 2.449292762291865 (4.15316e-10% change) linmin: converged after 7 iterations. iteration 1121: trace = 2.449292762284672 (2.93691e-10% change) large trace change predicted (1.05281e-09%) linmin: converged after 5 iterations. iteration 1122: trace = 2.449292762258884 (1.05285e-09% change) linmin: converged after 5 iterations. iteration 1123: trace = 2.449292762239086 (8.08331e-10% change) large trace change predicted (1.78475e-09%) linmin: converged after 4 iterations. iteration 1124: trace = 2.449292762195369 (1.78488e-09% change) linmin: converged after 6 iterations. iteration 1125: trace = 2.449292762138346 (2.32815e-09% change) linmin: converged after 15 iterations. iteration 1126: trace = 2.449292762099618 (1.58116e-09% change) linmin: converged after 7 iterations. iteration 1127: trace = 2.4492927620664 (1.35622e-09% change) linmin: converged after 4 iterations. iteration 1128: trace = 2.449292762003416 (2.57155e-09% change) linmin: converged after 12 iterations. iteration 1129: trace = 2.449292761979819 (9.63408e-10% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.44929276195271 (1.10683e-09% change) large trace change predicted (2.50833e-09%) linmin: converged after 16 iterations. iteration 1131: trace = 2.449292761891278 (2.50812e-09% change) linmin: converged after 15 iterations. iteration 1132: trace = 2.449292761857699 (1.37098e-09% change) linmin: converged after 24 iterations. iteration 1133: trace = 2.449292761796992 (2.47857e-09% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.449292761732873 (2.61785e-09% change) linmin: converged after 9 iterations. iteration 1135: trace = 2.449292761700014 (1.34155e-09% change) linmin: converged after 13 iterations. iteration 1136: trace = 2.449292761662959 (1.51288e-09% change) linmin: converged after 16 iterations. iteration 1137: trace = 2.449292761615074 (1.95506e-09% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.449292761584487 (1.24879e-09% change) linmin: converged after 9 iterations. iteration 1139: trace = 2.449292761555222 (1.19485e-09% change) linmin: converged after 17 iterations. iteration 1140: trace = 2.449292761518958 (1.48059e-09% change) linmin: converged after 15 iterations. iteration 1141: trace = 2.449292761490439 (1.16436e-09% change) linmin: converged after 6 iterations. iteration 1142: trace = 2.44929276147636 (5.74817e-10% change) large trace change predicted (2.78319e-09%) linmin: converged after 18 iterations. iteration 1143: trace = 2.44929276140819 (2.78327e-09% change) linmin: converged after 16 iterations. iteration 1144: trace = 2.449292761345009 (2.57956e-09% change) linmin: converged after 4 iterations. iteration 1145: trace = 2.44929276131443 (1.2485e-09% change) linmin: converged after 4 iterations. iteration 1146: trace = 2.449292761266779 (1.94549e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.449292761203063 (2.60139e-09% change) linmin: converged after 10 iterations. iteration 1148: trace = 2.449292761177097 (1.06014e-09% change) linmin: converged after 11 iterations. iteration 1149: trace = 2.449292761128534 (1.98275e-09% change) linmin: converged after 3 iterations. iteration 1150: trace = 2.449292761081884 (1.90462e-09% change) linmin: converged after 8 iterations. iteration 1151: trace = 2.449292761013441 (2.7944e-09% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.449292760995565 (7.2984e-10% change) large trace change predicted (2.3726e-09%) linmin: converged after 4 iterations. iteration 1153: trace = 2.449292760937457 (2.37245e-09% change) linmin: converged after 7 iterations. iteration 1154: trace = 2.449292760879771 (2.35519e-09% change) linmin: converged after 6 iterations. iteration 1155: trace = 2.449292760859085 (8.44575e-10% change) large trace change predicted (1.70114e-09%) linmin: converged after 3 iterations. iteration 1156: trace = 2.449292760817419 (1.70117e-09% change) linmin: converged after 3 iterations. iteration 1157: trace = 2.449292760786551 (1.26027e-09% change) linmin: converged after 7 iterations. iteration 1158: trace = 2.449292760777601 (3.65419e-10% change) large trace change predicted (1.36693e-09%) linmin: converged after 20 iterations. iteration 1159: trace = 2.449292760744122 (1.36688e-09% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.449292760698735 (1.85304e-09% change) linmin: converged after 18 iterations. iteration 1161: trace = 2.449292760682941 (6.44841e-10% change) large trace change predicted (2.22976e-09%) linmin: converged after 14 iterations. iteration 1162: trace = 2.449292760628325 (2.22986e-09% change) linmin: converged after 6 iterations. iteration 1163: trace = 2.449292760553186 (3.0678e-09% change) linmin: converged after 15 iterations. iteration 1164: trace = 2.449292760530432 (9.29013e-10% change) large trace change predicted (3.35936e-09%) linmin: converged after 4 iterations. iteration 1165: trace = 2.449292760448156 (3.35917e-09% change) linmin: converged after 12 iterations. iteration 1166: trace = 2.449292760405035 (1.76053e-09% change) linmin: converged after 3 iterations. iteration 1167: trace = 2.44929276038233 (9.27018e-10% change) large trace change predicted (2.74379e-09%) linmin: converged after 2 iterations. iteration 1168: trace = 2.449292760315133 (2.74351e-09% change) linmin: converged after 5 iterations. iteration 1169: trace = 2.449292760232028 (3.39302e-09% change) linmin: converged after 13 iterations. iteration 1170: trace = 2.449292760210748 (8.68835e-10% change) large trace change predicted (3.21979e-09%) linmin: converged after 4 iterations. iteration 1171: trace = 2.449292760131882 (3.21994e-09% change) linmin: converged after 7 iterations. iteration 1172: trace = 2.44929276007937 (2.14397e-09% change) linmin: converged after 4 iterations. iteration 1173: trace = 2.449292760040843 (1.57298e-09% change) linmin: converged after 21 iterations. iteration 1174: trace = 2.449292760008499 (1.32054e-09% change) linmin: converged after 5 iterations. iteration 1175: trace = 2.449292759963597 (1.83328e-09% change) linmin: converged after 7 iterations. iteration 1176: trace = 2.449292759941327 (9.09232e-10% change) linmin: converged after 4 iterations. iteration 1177: trace = 2.449292759930403 (4.45994e-10% change) large trace change predicted (1.26368e-09%) linmin: converged after 4 iterations. iteration 1178: trace = 2.449292759899457 (1.26346e-09% change) linmin: converged after 3 iterations. iteration 1179: trace = 2.449292759856346 (1.76015e-09% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.449292759834289 (9.00547e-10% change) large trace change predicted (1.90927e-09%) linmin: converged after 15 iterations. iteration 1181: trace = 2.44929275978753 (1.90907e-09% change) linmin: converged after 5 iterations. iteration 1182: trace = 2.449292759740735 (1.91055e-09% change) linmin: converged after 13 iterations. iteration 1183: trace = 2.449292759716291 (9.98021e-10% change) large trace change predicted (2.04248e-09%) linmin: converged after 13 iterations. iteration 1184: trace = 2.449292759666267 (2.0424e-09% change) linmin: converged after 5 iterations. iteration 1185: trace = 2.449292759589927 (3.11681e-09% change) linmin: converged after 13 iterations. iteration 1186: trace = 2.449292759560856 (1.18689e-09% change) large trace change predicted (4.22091e-09%) linmin: converged after 21 iterations. iteration 1187: trace = 2.449292759457477 (4.22079e-09% change) linmin: converged after 9 iterations. iteration 1188: trace = 2.449292759355255 (4.17352e-09% change) linmin: converged after 2 iterations. iteration 1189: trace = 2.449292759285013 (2.86783e-09% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1190: trace = 2.449292759218539 (2.71404e-09% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.449292759131809 (3.54101e-09% change) linmin: converged after 9 iterations. iteration 1192: trace = 2.449292759050741 (3.30986e-09% change) linmin: converged after 16 iterations. iteration 1193: trace = 2.449292759029729 (8.57884e-10% change) large trace change predicted (2.32367e-09%) linmin: converged after 22 iterations. iteration 1194: trace = 2.449292758972808 (2.32396e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.449292758938468 (1.40204e-09% change) linmin: converged after 4 iterations. iteration 1196: trace = 2.449292758921942 (6.74739e-10% change) large trace change predicted (1.40069e-09%) linmin: converged after 14 iterations. iteration 1197: trace = 2.449292758887621 (1.40124e-09% change) linmin: converged after 7 iterations. iteration 1198: trace = 2.449292758857818 (1.21681e-09% change) linmin: converged after 12 iterations. iteration 1199: trace = 2.449292758842747 (6.15305e-10% change) linmin: converged after 6 iterations. iteration 1200: trace = 2.44929275881523 (1.12349e-09% change) linmin: converged after 13 iterations. iteration 1201: trace = 2.449292758799249 (6.52438e-10% change) linmin: converged after 3 iterations. iteration 1202: trace = 2.449292758789549 (3.96043e-10% change) large trace change predicted (7.98141e-10%) linmin: converged after 6 iterations. iteration 1203: trace = 2.449292758770009 (7.97796e-10% change) linmin: converged after 8 iterations. iteration 1204: trace = 2.449292758745472 (1.00177e-09% change) linmin: converged after 4 iterations. iteration 1205: trace = 2.449292758734434 (4.50672e-10% change) large trace change predicted (1.46401e-09%) linmin: converged after 3 iterations. iteration 1206: trace = 2.449292758698573 (1.46414e-09% change) linmin: converged after 20 iterations. iteration 1207: trace = 2.449292758672931 (1.0469e-09% change) linmin: converged after 5 iterations. iteration 1208: trace = 2.449292758659811 (5.35672e-10% change) large trace change predicted (1.8051e-09%) linmin: converged after 4 iterations. iteration 1209: trace = 2.449292758615584 (1.80572e-09% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.449292758578577 (1.51092e-09% change) linmin: converged after 3 iterations. iteration 1211: trace = 2.449292758562544 (6.54613e-10% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.449292758539975 (9.21434e-10% change) linmin: converged after 9 iterations. iteration 1213: trace = 2.449292758509836 (1.23052e-09% change) linmin: converged after 4 iterations. iteration 1214: trace = 2.449292758496518 (5.43758e-10% change) large trace change predicted (1.43e-09%) linmin: converged after 19 iterations. iteration 1215: trace = 2.449292758461497 (1.42985e-09% change) linmin: converged after 2 iterations. iteration 1216: trace = 2.449292758430115 (1.28123e-09% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.449292758407654 (9.17064e-10% change) linmin: converged after 12 iterations. iteration 1218: trace = 2.449292758400862 (2.773e-10% change) large trace change predicted (7.07646e-10%) linmin: converged after 14 iterations. iteration 1219: trace = 2.449292758383526 (7.07811e-10% change) linmin: converged after 7 iterations. iteration 1220: trace = 2.449292758371622 (4.85992e-10% change) linmin: converged after 15 iterations. iteration 1221: trace = 2.449292758365863 (2.35127e-10% change) linmin: converged after 7 iterations. iteration 1222: trace = 2.449292758355705 (4.14736e-10% change) large trace change predicted (8.94645e-10%) linmin: converged after 7 iterations. iteration 1223: trace = 2.449292758333799 (8.944e-10% change) linmin: converged after 4 iterations. iteration 1224: trace = 2.449292758328047 (2.34819e-10% change) large trace change predicted (1.15853e-09%) linmin: converged after 4 iterations. iteration 1225: trace = 2.449292758299672 (1.1585e-09% change) linmin: converged after 6 iterations. iteration 1226: trace = 2.449292758276 (9.6649e-10% change) linmin: converged after 3 iterations. iteration 1227: trace = 2.449292758261559 (5.89613e-10% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.449292758244133 (7.11473e-10% change) linmin: converged after 9 iterations. iteration 1229: trace = 2.44929275822446 (8.032e-10% change) linmin: converged after 6 iterations. iteration 1230: trace = 2.449292758203113 (8.71536e-10% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.449292758196083 (2.87019e-10% change) large trace change predicted (7.16027e-10%) linmin: converged after 2 iterations. iteration 1232: trace = 2.449292758178548 (7.15952e-10% change) linmin: converged after 4 iterations. iteration 1233: trace = 2.449292758161216 (7.07611e-10% change) linmin: converged after 12 iterations. iteration 1234: trace = 2.449292758156217 (2.04122e-10% change) large trace change predicted (1.09127e-09%) linmin: converged after 4 iterations. iteration 1235: trace = 2.4492927581295 (1.0908e-09% change) linmin: converged after 15 iterations. iteration 1236: trace = 2.449292758121641 (3.20852e-10% change) linmin: converged after 8 iterations. iteration 1237: trace = 2.44929275811068 (4.47535e-10% change) linmin: converged after 4 iterations. iteration 1238: trace = 2.449292758099539 (4.54861e-10% change) linmin: converged after 4 iterations. iteration 1239: trace = 2.449292758090224 (3.80323e-10% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.449292758085973 (1.73535e-10% change) large trace change predicted (6.28043e-10%) linmin: converged after 3 iterations. iteration 1241: trace = 2.449292758070583 (6.28377e-10% change) linmin: converged after 3 iterations. iteration 1242: trace = 2.449292758061384 (3.75572e-10% change) linmin: converged after 4 iterations. iteration 1243: trace = 2.449292758053819 (3.08867e-10% change) large trace change predicted (6.64039e-10%) linmin: converged after 13 iterations. iteration 1244: trace = 2.449292758037557 (6.63915e-10% change) linmin: converged after 3 iterations. iteration 1245: trace = 2.449292758021907 (6.38984e-10% change) linmin: converged after 9 iterations. iteration 1246: trace = 2.449292758016809 (2.08148e-10% change) large trace change predicted (8.29566e-10%) linmin: converged after 20 iterations. iteration 1247: trace = 2.449292757996488 (8.29635e-10% change) linmin: converged after 6 iterations. iteration 1248: trace = 2.449292757980615 (6.48068e-10% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.449292757975114 (2.24593e-10% change) large trace change predicted (4.63414e-10%) linmin: converged after 3 iterations. iteration 1250: trace = 2.449292757963765 (4.63382e-10% change) linmin: converged after 3 iterations. iteration 1251: trace = 2.449292757946643 (6.99071e-10% change) linmin: converged after 9 iterations. iteration 1252: trace = 2.449292757938912 (3.15612e-10% change) linmin: converged after 6 iterations. iteration 1253: trace = 2.449292757929192 (3.96858e-10% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.449292757915849 (5.44756e-10% change) linmin: converged after 3 iterations. iteration 1255: trace = 2.44929275790202 (5.64646e-10% change) linmin: converged after 14 iterations. iteration 1256: trace = 2.449292757899889 (8.6976e-11% change) Finished solving for bands 1 to 10 after 1256 iterations. tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689 elapsed time for k point: 10.546871662139893 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.515861282295907 (3.43116% change) linmin: converged after 4 iterations. iteration 2: trace = 2.507854158557765 (0.318773% change) linmin: converged after 4 iterations. iteration 3: trace = 2.499310810787176 (0.341245% change) linmin: converged after 4 iterations. iteration 4: trace = 2.498172896819808 (0.0455395% change) large trace change predicted (0.100542%) linmin: converged after 4 iterations. iteration 5: trace = 2.495678808586637 (0.0998864% change) linmin: converged after 4 iterations. iteration 6: trace = 2.495170541910658 (0.0203679% change) linmin: converged after 4 iterations. iteration 7: trace = 2.494660849825565 (0.0204292% change) linmin: converged after 4 iterations. iteration 8: trace = 2.494389989065191 (0.0108582% change) linmin: converged after 3 iterations. iteration 9: trace = 2.49424031789044 (0.00600049% change) linmin: converged after 4 iterations. iteration 10: trace = 2.494053119375062 (0.00750551% change) linmin: converged after 4 iterations. iteration 11: trace = 2.494006769338019 (0.00185844% change) large trace change predicted (0.00615564%) linmin: converged after 4 iterations. iteration 12: trace = 2.493853877784837 (0.00613055% change) linmin: converged after 3 iterations. iteration 13: trace = 2.493809312194493 (0.00178703% change) large trace change predicted (0.00364815%) linmin: converged after 4 iterations. iteration 14: trace = 2.493718771889427 (0.00363067% change) linmin: converged after 4 iterations. iteration 15: trace = 2.493653536138433 (0.00261604% change) linmin: converged after 4 iterations. iteration 16: trace = 2.493597422138092 (0.0022503% change) large trace change predicted (0.00494512%) linmin: converged after 4 iterations. iteration 17: trace = 2.493474326430524 (0.00493659% change) linmin: converged after 4 iterations. iteration 18: trace = 2.493424155675116 (0.0020121% change) large trace change predicted (0.00492516%) linmin: converged after 4 iterations. iteration 19: trace = 2.493301749789208 (0.00490927% change) linmin: converged after 4 iterations. iteration 20: trace = 2.4932438532079 (0.00232211% change) large trace change predicted (0.00472088%) linmin: converged after 4 iterations. iteration 21: trace = 2.493126516272597 (0.00470631% change) linmin: converged after 4 iterations. iteration 22: trace = 2.493032139438212 (0.00378555% change) linmin: converged after 4 iterations. iteration 23: trace = 2.492931229724737 (0.00404775% change) linmin: converged after 4 iterations. iteration 24: trace = 2.49278518304044 (0.0058586% change) linmin: converged after 4 iterations. iteration 25: trace = 2.492694559740675 (0.00363549% change) linmin: converged after 17 iterations. iteration 26: trace = 2.492556551715377 (0.00553665% change) linmin: converged after 4 iterations. iteration 27: trace = 2.492504492963388 (0.00208859% change) large trace change predicted (0.00584593%) linmin: converged after 6 iterations. iteration 28: trace = 2.492359048235266 (0.00583545% change) linmin: converged after 4 iterations. iteration 29: trace = 2.492292310143891 (0.00267774% change) linmin: converged after 3 iterations. iteration 30: trace = 2.49220423763659 (0.00353386% change) linmin: converged after 4 iterations. iteration 31: trace = 2.492122038808602 (0.00329829% change) linmin: converged after 3 iterations. iteration 32: trace = 2.492088459826676 (0.00134741% change) large trace change predicted (0.00374958%) linmin: converged after 9 iterations. iteration 33: trace = 2.491995115671979 (0.00374569% change) linmin: converged after 3 iterations. iteration 34: trace = 2.49197302696545 (0.00088639% change) large trace change predicted (0.00384146%) linmin: converged after 6 iterations. iteration 35: trace = 2.491877397292373 (0.00383758% change) linmin: converged after 7 iterations. iteration 36: trace = 2.491799684776144 (0.00311868% change) linmin: converged after 4 iterations. iteration 37: trace = 2.491716618910476 (0.00333362% change) large trace change predicted (0.00753755%) linmin: converged after 6 iterations. iteration 38: trace = 2.491529123150958 (0.00752505% change) linmin: converged after 3 iterations. iteration 39: trace = 2.491464407954583 (0.00259744% change) large trace change predicted (0.00785134%) linmin: converged after 4 iterations. iteration 40: trace = 2.491269210816609 (0.00783494% change) linmin: converged after 3 iterations. iteration 41: trace = 2.491195483039992 (0.00295949% change) linmin: converged after 4 iterations. iteration 42: trace = 2.491085228402836 (0.00442587% change) linmin: converged after 3 iterations. iteration 43: trace = 2.491014733898304 (0.00282991% change) linmin: converged after 4 iterations. iteration 44: trace = 2.49096938109741 (0.00182067% change) large trace change predicted (0.00538733%) linmin: converged after 3 iterations. iteration 45: trace = 2.49083487831414 (0.00539976% change) linmin: converged after 11 iterations. iteration 46: trace = 2.490789473031338 (0.00182291% change) large trace change predicted (0.0100848%) linmin: converged after 3 iterations. iteration 47: trace = 2.490536447013226 (0.010159% change) linmin: converged after 4 iterations. iteration 48: trace = 2.490423729185779 (0.00452595% change) linmin: converged after 3 iterations. iteration 49: trace = 2.490250059019444 (0.00697376% change) linmin: converged after 3 iterations. iteration 50: trace = 2.490020787971507 (0.00920717% change) linmin: converged after 3 iterations. iteration 51: trace = 2.48994903099957 (0.00288182% change) large trace change predicted (0.00946139%) linmin: converged after 3 iterations. iteration 52: trace = 2.489711162739711 (0.00955359% change) linmin: converged after 3 iterations. iteration 53: trace = 2.489658473681335 (0.00211629% change) large trace change predicted (0.00434367%) linmin: converged after 3 iterations. iteration 54: trace = 2.489549877108953 (0.004362% change) linmin: converged after 4 iterations. iteration 55: trace = 2.489470614706369 (0.00318386% change) linmin: converged after 3 iterations. iteration 56: trace = 2.489407058967494 (0.00255301% change) linmin: converged after 3 iterations. iteration 57: trace = 2.48931509135577 (0.00369443% change) linmin: converged after 3 iterations. iteration 58: trace = 2.489272593598083 (0.00170722% change) large trace change predicted (0.0035832%) linmin: converged after 3 iterations. iteration 59: trace = 2.489183254006914 (0.00358905% change) linmin: converged after 3 iterations. iteration 60: trace = 2.489147377124525 (0.00144132% change) large trace change predicted (0.00337204%) linmin: converged after 4 iterations. iteration 61: trace = 2.489063365947722 (0.00337516% change) linmin: converged after 5 iterations. iteration 62: trace = 2.489014190975116 (0.00197566% change) linmin: converged after 4 iterations. iteration 63: trace = 2.488950715482929 (0.00255026% change) linmin: converged after 4 iterations. iteration 64: trace = 2.488865294803781 (0.00343205% change) linmin: converged after 5 iterations. iteration 65: trace = 2.488828943610771 (0.00146056% change) linmin: converged after 3 iterations. iteration 66: trace = 2.488763904884916 (0.00261326% change) linmin: converged after 3 iterations. iteration 67: trace = 2.488735810526342 (0.00112885% change) large trace change predicted (0.00312848%) linmin: converged after 6 iterations. iteration 68: trace = 2.48865800111508 (0.00312651% change) linmin: converged after 3 iterations. iteration 69: trace = 2.488603317682105 (0.00219733% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 2.488574474557392 (0.00115902% change) large trace change predicted (0.00249024%) linmin: converged after 3 iterations. iteration 71: trace = 2.488512534589992 (0.002489% change) linmin: converged after 7 iterations. iteration 72: trace = 2.488484799851445 (0.00111452% change) linmin: converged after 3 iterations. iteration 73: trace = 2.488451506537923 (0.0013379% change) large trace change predicted (0.0031914%) linmin: converged after 5 iterations. iteration 74: trace = 2.488372321747332 (0.00318214% change) linmin: converged after 3 iterations. iteration 75: trace = 2.488356731049004 (0.000626544% change) large trace change predicted (0.00189925%) linmin: converged after 5 iterations. iteration 76: trace = 2.488309524135499 (0.00189713% change) linmin: converged after 4 iterations. iteration 77: trace = 2.488271458079891 (0.00152981% change) linmin: converged after 4 iterations. iteration 78: trace = 2.488258000294219 (0.00054085% change) large trace change predicted (0.00171372%) linmin: converged after 4 iterations. iteration 79: trace = 2.48821544026547 (0.00171045% change) linmin: converged after 4 iterations. iteration 80: trace = 2.488166258686811 (0.0019766% change) linmin: converged after 12 iterations. iteration 81: trace = 2.488145059919184 (0.000851987% change) linmin: converged after 15 iterations. iteration 82: trace = 2.488106089528181 (0.00156625% change) linmin: converged after 4 iterations. iteration 83: trace = 2.488066336337749 (0.00159774% change) linmin: converged after 5 iterations. iteration 84: trace = 2.488048633590177 (0.000711509% change) large trace change predicted (0.00194513%) linmin: converged after 4 iterations. iteration 85: trace = 2.488000386622425 (0.00193917% change) linmin: converged after 5 iterations. iteration 86: trace = 2.487937929549748 (0.00251036% change) linmin: converged after 5 iterations. iteration 87: trace = 2.487919640950813 (0.000735093% change) large trace change predicted (0.00295702%) linmin: converged after 3 iterations. iteration 88: trace = 2.487846115004988 (0.00295536% change) linmin: converged after 4 iterations. iteration 89: trace = 2.487797886704479 (0.00193858% change) linmin: converged after 3 iterations. iteration 90: trace = 2.487776306549805 (0.000867444% change) large trace change predicted (0.00214995%) linmin: converged after 3 iterations. iteration 91: trace = 2.487722836395236 (0.00214934% change) linmin: converged after 3 iterations. iteration 92: trace = 2.487710813896149 (0.000483274% change) large trace change predicted (0.00124375%) linmin: converged after 5 iterations. iteration 93: trace = 2.487679883120304 (0.00124335% change) linmin: converged after 3 iterations. iteration 94: trace = 2.487653043297854 (0.00107892% change) linmin: converged after 3 iterations. iteration 95: trace = 2.487630501282141 (0.00090616% change) linmin: converged after 4 iterations. iteration 96: trace = 2.487599175459664 (0.00125927% change) linmin: converged after 3 iterations. iteration 97: trace = 2.487540228048141 (0.00236968% change) linmin: converged after 12 iterations. iteration 98: trace = 2.487521640120572 (0.000747244% change) linmin: converged after 4 iterations. iteration 99: trace = 2.487493683707828 (0.00112387% change) linmin: converged after 5 iterations. iteration 100: trace = 2.487462269535424 (0.00126289% change) linmin: converged after 3 iterations. iteration 101: trace = 2.48745536423858 (0.000277604% change) large trace change predicted (0.000931403%) linmin: converged after 5 iterations. iteration 102: trace = 2.487432233641114 (0.000929894% change) linmin: converged after 3 iterations. iteration 103: trace = 2.487405032651327 (0.00109354% change) linmin: converged after 3 iterations. iteration 104: trace = 2.487396818139055 (0.000330245% change) large trace change predicted (0.00148261%) linmin: converged after 3 iterations. iteration 105: trace = 2.487359848334163 (0.0014863% change) linmin: converged after 3 iterations. iteration 106: trace = 2.487331078568984 (0.00115665% change) linmin: converged after 5 iterations. iteration 107: trace = 2.487319494981296 (0.000465705% change) large trace change predicted (0.00232136%) linmin: converged after 6 iterations. iteration 108: trace = 2.48726164881472 (0.00232567% change) linmin: converged after 3 iterations. iteration 109: trace = 2.487237092826722 (0.000987275% change) linmin: converged after 3 iterations. iteration 110: trace = 2.487206680585687 (0.00122274% change) linmin: converged after 4 iterations. iteration 111: trace = 2.487173038603066 (0.00135261% change) linmin: converged after 3 iterations. iteration 112: trace = 2.487160558799443 (0.000501768% change) linmin: converged after 3 iterations. iteration 113: trace = 2.487141960392464 (0.000747779% change) linmin: converged after 5 iterations. iteration 114: trace = 2.487111565453936 (0.00122209% change) linmin: converged after 6 iterations. iteration 115: trace = 2.487101729536141 (0.000395476% change) large trace change predicted (0.000795578%) linmin: converged after 3 iterations. iteration 116: trace = 2.487081948065852 (0.000795365% change) linmin: converged after 3 iterations. iteration 117: trace = 2.4870636905194 (0.000734098% change) linmin: converged after 3 iterations. iteration 118: trace = 2.487055266003158 (0.000338734% change) large trace change predicted (0.00104506%) linmin: converged after 3 iterations. iteration 119: trace = 2.487029266684226 (0.00104539% change) linmin: converged after 4 iterations. iteration 120: trace = 2.487007971865747 (0.000856239% change) linmin: converged after 4 iterations. iteration 121: trace = 2.487000144833851 (0.000314717% change) large trace change predicted (0.00098169%) linmin: converged after 5 iterations. iteration 122: trace = 2.486975730154866 (0.000981697% change) linmin: converged after 3 iterations. iteration 123: trace = 2.486952827646625 (0.000920902% change) linmin: converged after 3 iterations. iteration 124: trace = 2.486940045383895 (0.000513974% change) large trace change predicted (0.00230676%) linmin: converged after 4 iterations. iteration 125: trace = 2.486882730702087 (0.00230465% change) linmin: converged after 3 iterations. iteration 126: trace = 2.486843220613449 (0.00158875% change) linmin: converged after 4 iterations. iteration 127: trace = 2.486783792724833 (0.00238972% change) linmin: converged after 4 iterations. iteration 128: trace = 2.486698791892305 (0.00341816% change) linmin: converged after 3 iterations. iteration 129: trace = 2.486661286309805 (0.00150826% change) linmin: converged after 7 iterations. iteration 130: trace = 2.486623172913379 (0.00153273% change) linmin: converged after 3 iterations. iteration 131: trace = 2.486591355088738 (0.00127957% change) linmin: converged after 3 iterations. iteration 132: trace = 2.486581495915449 (0.000396494% change) large trace change predicted (0.000963697%) linmin: converged after 4 iterations. iteration 133: trace = 2.486557524018012 (0.000964055% change) linmin: converged after 3 iterations. iteration 134: trace = 2.486535868448634 (0.000870909% change) linmin: converged after 3 iterations. iteration 135: trace = 2.486525734145124 (0.000407568% change) large trace change predicted (0.00132869%) linmin: converged after 3 iterations. iteration 136: trace = 2.486492672114544 (0.00132966% change) linmin: converged after 3 iterations. iteration 137: trace = 2.4864684568555 (0.000973877% change) linmin: converged after 3 iterations. iteration 138: trace = 2.486461344064414 (0.00028606% change) large trace change predicted (0.000628476%) linmin: converged after 3 iterations. iteration 139: trace = 2.486445718478366 (0.000628429% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.486440316002184 (0.000217277% change) linmin: converged after 3 iterations. iteration 141: trace = 2.486436897949191 (0.000137468% change) large trace change predicted (0.000494266%) linmin: converged after 6 iterations. iteration 142: trace = 2.486424619473493 (0.000493819% change) linmin: converged after 5 iterations. iteration 143: trace = 2.486421621317892 (0.000120581% change) large trace change predicted (0.000520131%) linmin: converged after 15 iterations. iteration 144: trace = 2.486408705250284 (0.000519465% change) linmin: converged after 6 iterations. iteration 145: trace = 2.486391995234417 (0.000672057% change) linmin: converged after 3 iterations. iteration 146: trace = 2.486387492495172 (0.000181095% change) large trace change predicted (0.000450639%) linmin: converged after 3 iterations. iteration 147: trace = 2.486376285763708 (0.000450724% change) linmin: converged after 4 iterations. iteration 148: trace = 2.486363602493589 (0.000510112% change) linmin: converged after 3 iterations. iteration 149: trace = 2.486359943403615 (0.000147166% change) large trace change predicted (0.000895146%) linmin: converged after 5 iterations. iteration 150: trace = 2.486337672880415 (0.000895712% change) linmin: converged after 3 iterations. iteration 151: trace = 2.486322372652038 (0.000615374% change) linmin: converged after 3 iterations. iteration 152: trace = 2.486310286550961 (0.000486105% change) linmin: converged after 4 iterations. iteration 153: trace = 2.486288351519972 (0.000882236% change) linmin: converged after 3 iterations. iteration 154: trace = 2.486270461204038 (0.000719562% change) linmin: converged after 3 iterations. iteration 155: trace = 2.486265078233208 (0.000216508% change) large trace change predicted (0.000473784%) linmin: converged after 3 iterations. iteration 156: trace = 2.486253288137071 (0.00047421% change) linmin: converged after 3 iterations. iteration 157: trace = 2.486244471224024 (0.000354627% change) linmin: converged after 3 iterations. iteration 158: trace = 2.486241791578302 (0.000107779% change) large trace change predicted (0.000397653%) linmin: converged after 3 iterations. iteration 159: trace = 2.486231901543722 (0.000397791% change) linmin: converged after 3 iterations. iteration 160: trace = 2.486229388624313 (0.000101073% change) large trace change predicted (0.000218116%) linmin: converged after 3 iterations. iteration 161: trace = 2.486223965460543 (0.000218128% change) linmin: converged after 3 iterations. iteration 162: trace = 2.486219141454832 (0.00019403% change) linmin: converged after 3 iterations. iteration 163: trace = 2.486216681749386 (9.89336e-05% change) large trace change predicted (0.000284402%) linmin: converged after 6 iterations. iteration 164: trace = 2.486209618362964 (0.000284102% change) linmin: converged after 23 iterations. iteration 165: trace = 2.486198883418821 (0.00043178% change) linmin: converged after 19 iterations. iteration 166: trace = 2.486195868179986 (0.000121279% change) large trace change predicted (0.000255398%) linmin: converged after 4 iterations. iteration 167: trace = 2.486189521272439 (0.000255286% change) linmin: converged after 4 iterations. iteration 168: trace = 2.486181623261373 (0.000317676% change) linmin: converged after 3 iterations. iteration 169: trace = 2.486178527728146 (0.00012451% change) linmin: converged after 4 iterations. iteration 170: trace = 2.486172932683418 (0.000225046% change) linmin: converged after 4 iterations. iteration 171: trace = 2.486164266855635 (0.000348562% change) linmin: converged after 4 iterations. iteration 172: trace = 2.486160649663025 (0.000145493% change) large trace change predicted (0.000303333%) linmin: converged after 3 iterations. iteration 173: trace = 2.486153110623879 (0.000303241% change) linmin: converged after 4 iterations. iteration 174: trace = 2.486145958516302 (0.000287678% change) linmin: converged after 7 iterations. iteration 175: trace = 2.486143253537672 (0.000108802% change) large trace change predicted (0.000275365%) linmin: converged after 3 iterations. iteration 176: trace = 2.486136409821238 (0.000275275% change) linmin: converged after 4 iterations. iteration 177: trace = 2.48613149952664 (0.000197507% change) linmin: converged after 5 iterations. iteration 178: trace = 2.486129092153331 (9.68321e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.48612481206577 (0.000172159% change) linmin: converged after 4 iterations. iteration 180: trace = 2.486122211310087 (0.000104611% change) linmin: converged after 3 iterations. iteration 181: trace = 2.486119066555182 (0.000126492% change) large trace change predicted (0.000341478%) linmin: converged after 4 iterations. iteration 182: trace = 2.486110582934301 (0.00034124% change) linmin: converged after 3 iterations. iteration 183: trace = 2.486105934249012 (0.000186986% change) linmin: converged after 4 iterations. iteration 184: trace = 2.486103648652534 (9.19348e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.486099630498395 (0.000161625% change) linmin: converged after 3 iterations. iteration 186: trace = 2.486095589937971 (0.000162526% change) linmin: converged after 3 iterations. iteration 187: trace = 2.486093695745089 (7.61915e-05% change) large trace change predicted (0.000189711%) linmin: converged after 5 iterations. iteration 188: trace = 2.486088979197969 (0.000189717% change) linmin: converged after 3 iterations. iteration 189: trace = 2.486086845441113 (8.58279e-05% change) large trace change predicted (0.000210963%) linmin: converged after 3 iterations. iteration 190: trace = 2.486081598975246 (0.000211033% change) linmin: converged after 3 iterations. iteration 191: trace = 2.486075445989276 (0.000247498% change) linmin: converged after 3 iterations. iteration 192: trace = 2.486072784963713 (0.000107037% change) linmin: converged after 3 iterations. iteration 193: trace = 2.486067978207759 (0.000193348% change) linmin: converged after 3 iterations. iteration 194: trace = 2.486062669328761 (0.000213545% change) linmin: converged after 3 iterations. iteration 195: trace = 2.486061490394072 (4.74218e-05% change) large trace change predicted (0.000140042%) linmin: converged after 4 iterations. iteration 196: trace = 2.486058007016652 (0.000140116% change) linmin: converged after 3 iterations. iteration 197: trace = 2.486054811393256 (0.000128542% change) linmin: converged after 5 iterations. iteration 198: trace = 2.486053727921057 (4.3582e-05% change) large trace change predicted (9.18039e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.486051444543701 (9.18475e-05% change) linmin: converged after 4 iterations. iteration 200: trace = 2.48604871018823 (0.000109988% change) linmin: converged after 4 iterations. iteration 201: trace = 2.486047081327871 (6.55201e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.486045468864992 (6.48605e-05% change) large trace change predicted (0.000223438%) linmin: converged after 4 iterations. iteration 203: trace = 2.486039910217959 (0.000223594% change) linmin: converged after 2 iterations. iteration 204: trace = 2.486038922013825 (3.97501e-05% change) large trace change predicted (0.000199919%) linmin: converged after 3 iterations. iteration 205: trace = 2.486033950211503 (0.000199989% change) linmin: converged after 3 iterations. iteration 206: trace = 2.486031306054993 (0.00010636% change) linmin: converged after 4 iterations. iteration 207: trace = 2.486030231168287 (4.32371e-05% change) large trace change predicted (8.93124e-05%) linmin: converged after 4 iterations. iteration 208: trace = 2.486028011030611 (8.93046e-05% change) large trace change predicted (0.000184494%) linmin: converged after 6 iterations. iteration 209: trace = 2.486023428236718 (0.000184342% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.48602202168585 (5.65784e-05% change) linmin: converged after 12 iterations. iteration 211: trace = 2.486020018723904 (8.0569e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.486018320754877 (6.83007e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.486017457263136 (3.47339e-05% change) large trace change predicted (7.40508e-05%) linmin: converged after 4 iterations. iteration 214: trace = 2.486015616836127 (7.40312e-05% change) linmin: converged after 10 iterations. iteration 215: trace = 2.486012916941027 (0.000108603% change) linmin: converged after 3 iterations. iteration 216: trace = 2.486012291214537 (2.51699e-05% change) large trace change predicted (8.39124e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.486010206453553 (8.38597e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.486008460770565 (7.02203e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.486007789783964 (2.69905e-05% change) large trace change predicted (8.16819e-05%) linmin: converged after 5 iterations. iteration 220: trace = 2.486005760354276 (8.16341e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.486005045497719 (2.87552e-05% change) large trace change predicted (6.61263e-05%) linmin: converged after 9 iterations. iteration 222: trace = 2.486003402161579 (6.61035e-05% change) linmin: converged after 5 iterations. iteration 223: trace = 2.486001996233311 (5.65538e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.486000042584344 (7.8586e-05% change) linmin: converged after 5 iterations. iteration 225: trace = 2.485999119309783 (3.7139e-05% change) large trace change predicted (0.000140858%) linmin: converged after 10 iterations. iteration 226: trace = 2.485995618704608 (0.000140813% change) linmin: converged after 3 iterations. iteration 227: trace = 2.485994100233929 (6.1081e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.485991521445129 (0.000103733% change) linmin: converged after 3 iterations. iteration 229: trace = 2.485988403934094 (0.000125403% change) linmin: converged after 3 iterations. iteration 230: trace = 2.485987503584906 (3.6217e-05% change) large trace change predicted (0.000111695%) linmin: converged after 5 iterations. iteration 231: trace = 2.485984727381403 (0.000111674% change) linmin: converged after 5 iterations. iteration 232: trace = 2.485982326403656 (9.65806e-05% change) linmin: converged after 5 iterations. iteration 233: trace = 2.485981651611549 (2.71439e-05% change) large trace change predicted (6.92219e-05%) linmin: converged after 3 iterations. iteration 234: trace = 2.485979930570006 (6.92299e-05% change) linmin: converged after 5 iterations. iteration 235: trace = 2.485977905199617 (8.14717e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.48597730380663 (2.41914e-05% change) large trace change predicted (8.42799e-05%) linmin: converged after 4 iterations. iteration 237: trace = 2.485975208536899 (8.42836e-05% change) linmin: converged after 4 iterations. iteration 238: trace = 2.485972481099969 (0.000109713% change) linmin: converged after 5 iterations. iteration 239: trace = 2.485971839214122 (2.58203e-05% change) large trace change predicted (5.6214e-05%) linmin: converged after 3 iterations. iteration 240: trace = 2.485970441700708 (5.6216e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.485968844084179 (6.42653e-05% change) linmin: converged after 3 iterations. iteration 242: trace = 2.485968424802206 (1.68659e-05% change) large trace change predicted (6.98542e-05%) linmin: converged after 4 iterations. iteration 243: trace = 2.485966688376817 (6.98491e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.485965446971699 (4.99365e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.485964604852616 (3.38749e-05% change) large trace change predicted (0.000103126%) linmin: converged after 3 iterations. iteration 246: trace = 2.485962041276639 (0.000103122% change) linmin: converged after 6 iterations. iteration 247: trace = 2.485960303402692 (6.99075e-05% change) linmin: converged after 5 iterations. iteration 248: trace = 2.485957665169964 (0.000106125% change) linmin: converged after 3 iterations. iteration 249: trace = 2.485954723603623 (0.000118327% change) linmin: converged after 3 iterations. iteration 250: trace = 2.485954009590688 (2.87219e-05% change) linmin: converged after 5 iterations. iteration 251: trace = 2.485952659138304 (5.43233e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.485950347235431 (9.29987e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.485949172321636 (4.72622e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.485947577225308 (6.41645e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.485945662020343 (7.70413e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.485944562755226 (4.42192e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.485943623257654 (3.77924e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.485942113115575 (6.07473e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.485941692883185 (1.69044e-05% change) large trace change predicted (5.55981e-05%) linmin: converged after 3 iterations. iteration 260: trace = 2.485940310662413 (5.56015e-05% change) linmin: converged after 4 iterations. iteration 261: trace = 2.485938556977435 (7.05442e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.485938117284358 (1.76872e-05% change) large trace change predicted (5.47196e-05%) linmin: converged after 4 iterations. iteration 263: trace = 2.485936757504735 (5.46989e-05% change) linmin: converged after 4 iterations. iteration 264: trace = 2.485934872111849 (7.58424e-05% change) linmin: converged after 2 iterations. iteration 265: trace = 2.485934342667958 (2.12976e-05% change) large trace change predicted (0.000115978%) linmin: converged after 20 iterations. iteration 266: trace = 2.485931462012558 (0.000115878% change) linmin: converged after 4 iterations. iteration 267: trace = 2.485929664190849 (7.23199e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.48592863729641 (4.13083e-05% change) large trace change predicted (9.58579e-05%) linmin: converged after 7 iterations. iteration 269: trace = 2.485926255828979 (9.57979e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.485924124492907 (8.57361e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.485923745827829 (1.52324e-05% change) large trace change predicted (7.43766e-05%) linmin: converged after 3 iterations. iteration 272: trace = 2.485921896978573 (7.43728e-05% change) linmin: converged after 5 iterations. iteration 273: trace = 2.485921078711772 (3.2916e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.48592048381861 (2.39305e-05% change) large trace change predicted (7.98036e-05%) linmin: converged after 4 iterations. iteration 275: trace = 2.485918499997581 (7.98023e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.485917726900054 (3.10991e-05% change) linmin: converged after 4 iterations. iteration 277: trace = 2.485916798874416 (3.73313e-05% change) linmin: converged after 3 iterations. iteration 278: trace = 2.485915841890903 (3.84962e-05% change) linmin: converged after 4 iterations. iteration 279: trace = 2.485915428001314 (1.66494e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.485915156796766 (1.09096e-05% change) large trace change predicted (2.45237e-05%) linmin: converged after 4 iterations. iteration 281: trace = 2.485914547198413 (2.45221e-05% change) linmin: converged after 2 iterations. iteration 282: trace = 2.48591397024841 (2.32088e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.485913416994713 (2.22555e-05% change) linmin: converged after 4 iterations. iteration 284: trace = 2.485912346741366 (4.30527e-05% change) linmin: converged after 4 iterations. iteration 285: trace = 2.485911911775135 (1.74972e-05% change) large trace change predicted (3.78617e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.485910970666737 (3.78577e-05% change) linmin: converged after 3 iterations. iteration 287: trace = 2.485909928737816 (4.19134e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.485909652038214 (1.11307e-05% change) large trace change predicted (3.44923e-05%) linmin: converged after 4 iterations. iteration 289: trace = 2.485908794542906 (3.44942e-05% change) linmin: converged after 3 iterations. iteration 290: trace = 2.485907580723941 (4.8828e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.485907230171407 (1.41016e-05% change) large trace change predicted (7.80145e-05%) linmin: converged after 5 iterations. iteration 292: trace = 2.485905288868155 (7.80924e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.485904457413371 (3.34468e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.485903618487427 (3.37473e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.485902688182957 (3.74232e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.485901918355574 (3.09677e-05% change) linmin: converged after 3 iterations. iteration 297: trace = 2.485901734629439 (7.39072e-06% change) large trace change predicted (3.39546e-05%) linmin: converged after 3 iterations. iteration 298: trace = 2.485900890495897 (3.39568e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.48590041018798 (1.93213e-05% change) linmin: converged after 4 iterations. iteration 300: trace = 2.485900180711757 (9.23111e-06% change) large trace change predicted (2.9496e-05%) linmin: converged after 3 iterations. iteration 301: trace = 2.485899447482988 (2.94955e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.485899135824026 (1.25371e-05% change) large trace change predicted (2.62525e-05%) linmin: converged after 3 iterations. iteration 303: trace = 2.485898483180081 (2.62538e-05% change) linmin: converged after 3 iterations. iteration 304: trace = 2.485897748158209 (2.95677e-05% change) linmin: converged after 13 iterations. iteration 305: trace = 2.485897472633001 (1.10835e-05% change) large trace change predicted (2.76783e-05%) linmin: converged after 4 iterations. iteration 306: trace = 2.485896784643212 (2.76757e-05% change) linmin: converged after 3 iterations. iteration 307: trace = 2.485896208114291 (2.3192e-05% change) linmin: converged after 16 iterations. iteration 308: trace = 2.485895611119694 (2.40153e-05% change) linmin: converged after 2 iterations. iteration 309: trace = 2.485895272828215 (1.36084e-05% change) large trace change predicted (2.81279e-05%) linmin: converged after 3 iterations. iteration 310: trace = 2.485894573694849 (2.8124e-05% change) linmin: converged after 3 iterations. iteration 311: trace = 2.485894358226965 (8.66762e-06% change) large trace change predicted (2.39788e-05%) linmin: converged after 5 iterations. iteration 312: trace = 2.485893762301133 (2.39723e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.485893047776924 (2.87432e-05% change) linmin: converged after 3 iterations. iteration 314: trace = 2.485892908701802 (5.59457e-06% change) large trace change predicted (2.65519e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.485892248902879 (2.65417e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.485891877518642 (1.49397e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.485891750872335 (5.0946e-06% change) large trace change predicted (1.6811e-05%) linmin: converged after 3 iterations. iteration 318: trace = 2.485891333048813 (1.68078e-05% change) linmin: converged after 5 iterations. iteration 319: trace = 2.485890959707071 (1.50184e-05% change) linmin: converged after 19 iterations. iteration 320: trace = 2.485890817568823 (5.7178e-06% change) large trace change predicted (2.65065e-05%) linmin: converged after 16 iterations. iteration 321: trace = 2.485890158826757 (2.64992e-05% change) linmin: converged after 4 iterations. iteration 322: trace = 2.485889705876483 (1.82208e-05% change) linmin: converged after 3 iterations. iteration 323: trace = 2.485889538126151 (6.7481e-06% change) large trace change predicted (1.95807e-05%) linmin: converged after 4 iterations. iteration 324: trace = 2.485889051509746 (1.95751e-05% change) linmin: converged after 2 iterations. iteration 325: trace = 2.485888757339809 (1.18336e-05% change) linmin: converged after 4 iterations. iteration 326: trace = 2.485888545542125 (8.52e-06% change) large trace change predicted (1.97252e-05%) linmin: converged after 7 iterations. iteration 327: trace = 2.485888055232837 (1.97237e-05% change) linmin: converged after 2 iterations. iteration 328: trace = 2.485887788638825 (1.07243e-05% change) linmin: converged after 3 iterations. iteration 329: trace = 2.485887463090222 (1.30959e-05% change) large trace change predicted (2.65074e-05%) linmin: converged after 3 iterations. iteration 330: trace = 2.485886804123782 (2.65083e-05% change) linmin: converged after 5 iterations. iteration 331: trace = 2.485886494136767 (1.24699e-05% change) linmin: converged after 3 iterations. iteration 332: trace = 2.48588596819191 (2.11572e-05% change) linmin: converged after 3 iterations. iteration 333: trace = 2.485885515568653 (1.82077e-05% change) linmin: converged after 2 iterations. iteration 334: trace = 2.485885362111051 (6.17316e-06% change) linmin: converged after 2 iterations. iteration 335: trace = 2.485885210707106 (6.09054e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.485884945045744 (1.06868e-05% change) linmin: converged after 4 iterations. iteration 337: trace = 2.485884877394166 (2.72143e-06% change) large trace change predicted (8.92198e-06%) linmin: converged after 4 iterations. iteration 338: trace = 2.485884655577982 (8.92303e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.485884475797544 (7.23205e-06% change) linmin: converged after 4 iterations. iteration 340: trace = 2.485884400738471 (3.01941e-06% change) large trace change predicted (1.03345e-05%) linmin: converged after 3 iterations. iteration 341: trace = 2.485884143787008 (1.03364e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.485883765246077 (1.52276e-05% change) linmin: converged after 4 iterations. iteration 343: trace = 2.485883671025189 (3.79024e-06% change) large trace change predicted (1.2505e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.485883360095597 (1.25078e-05% change) linmin: converged after 4 iterations. iteration 345: trace = 2.485883118815805 (9.706e-06% change) linmin: converged after 6 iterations. iteration 346: trace = 2.485883019168665 (4.00852e-06% change) large trace change predicted (1.35496e-05%) linmin: converged after 5 iterations. iteration 347: trace = 2.485882682316431 (1.35506e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.485882555980481 (5.08214e-06% change) linmin: converged after 3 iterations. iteration 349: trace = 2.485882306930253 (1.00186e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.48588209723502 (8.43545e-06% change) linmin: converged after 3 iterations. iteration 351: trace = 2.48588200409695 (3.74668e-06% change) large trace change predicted (1.0543e-05%) linmin: converged after 3 iterations. iteration 352: trace = 2.485881742042807 (1.05417e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.485881636544489 (4.2439e-06% change) linmin: converged after 4 iterations. iteration 354: trace = 2.485881483251974 (6.16653e-06% change) linmin: converged after 5 iterations. iteration 355: trace = 2.485881204668219 (1.12066e-05% change) linmin: converged after 6 iterations. iteration 356: trace = 2.485881132200586 (2.91517e-06% change) large trace change predicted (7.88748e-06%) linmin: converged after 4 iterations. iteration 357: trace = 2.485880936172148 (7.88567e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.485880777292191 (6.39129e-06% change) linmin: converged after 3 iterations. iteration 359: trace = 2.485880700031593 (3.10798e-06% change) large trace change predicted (6.38219e-06%) linmin: converged after 14 iterations. iteration 360: trace = 2.485880541401155 (6.38126e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.485880354929694 (7.50122e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.485880294930855 (2.41359e-06% change) large trace change predicted (6.20151e-06%) linmin: converged after 6 iterations. iteration 363: trace = 2.485880140784376 (6.20088e-06% change) linmin: converged after 4 iterations. iteration 364: trace = 2.485879979101922 (6.50403e-06% change) linmin: converged after 4 iterations. iteration 365: trace = 2.485879919103026 (2.41359e-06% change) large trace change predicted (1.33255e-05%) linmin: converged after 8 iterations. iteration 366: trace = 2.485879587889342 (1.33238e-05% change) linmin: converged after 7 iterations. iteration 367: trace = 2.485879201432082 (1.55461e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.485879067998373 (5.36767e-06% change) large trace change predicted (1.37008e-05%) linmin: converged after 3 iterations. iteration 369: trace = 2.485878727406584 (1.37011e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.485878428101167 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 371: trace = 2.485878346726981 (3.27346e-06% change) large trace change predicted (1.08916e-05%) linmin: converged after 2 iterations. iteration 372: trace = 2.485878075971529 (1.08917e-05% change) linmin: converged after 2 iterations. iteration 373: trace = 2.485877928417474 (5.93569e-06% change) linmin: converged after 3 iterations. iteration 374: trace = 2.48587782103891 (4.31954e-06% change) large trace change predicted (8.99719e-06%) linmin: converged after 5 iterations. iteration 375: trace = 2.485877597367579 (8.99768e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.485877350423996 (9.93386e-06% change) linmin: converged after 4 iterations. iteration 377: trace = 2.485877285297414 (2.61986e-06% change) large trace change predicted (1.09292e-05%) linmin: converged after 3 iterations. iteration 378: trace = 2.485877013583101 (1.09303e-05% change) linmin: converged after 3 iterations. iteration 379: trace = 2.485876883662909 (5.22633e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.485876813353013 (2.82837e-06% change) linmin: converged after 2 iterations. iteration 381: trace = 2.48587669382159 (4.80842e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.485876488279835 (8.26838e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.485876440512067 (1.92157e-06% change) large trace change predicted (8.09195e-06%) linmin: converged after 3 iterations. iteration 384: trace = 2.485876239372412 (8.0913e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.485876027286559 (8.53163e-06% change) linmin: converged after 4 iterations. iteration 386: trace = 2.485875946859879 (3.23535e-06% change) large trace change predicted (1.41237e-05%) linmin: converged after 4 iterations. iteration 387: trace = 2.485875595742851 (1.41245e-05% change) linmin: converged after 4 iterations. iteration 388: trace = 2.485875514501315 (3.26813e-06% change) large trace change predicted (1.03704e-05%) linmin: converged after 7 iterations. iteration 389: trace = 2.485875256708515 (1.03703e-05% change) linmin: converged after 6 iterations. iteration 390: trace = 2.485875066155807 (7.66542e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.485874969091101 (3.90465e-06% change) linmin: converged after 17 iterations. iteration 392: trace = 2.485874801742324 (6.73199e-06% change) linmin: converged after 3 iterations. iteration 393: trace = 2.485874522054159 (1.12511e-05% change) linmin: converged after 3 iterations. iteration 394: trace = 2.485874392273183 (5.22074e-06% change) linmin: converged after 3 iterations. iteration 395: trace = 2.485874272914492 (4.80148e-06% change) linmin: converged after 5 iterations. iteration 396: trace = 2.485874066515826 (8.30286e-06% change) linmin: converged after 3 iterations. iteration 397: trace = 2.485873981502775 (3.41985e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.485873847026941 (5.4096e-06% change) linmin: converged after 3 iterations. iteration 399: trace = 2.485873656468925 (7.66564e-06% change) linmin: converged after 3 iterations. iteration 400: trace = 2.485873592123216 (2.58845e-06% change) large trace change predicted (5.24019e-06%) linmin: converged after 4 iterations. iteration 401: trace = 2.485873461876362 (5.23948e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.485873332707443 (5.19612e-06% change) linmin: converged after 3 iterations. iteration 403: trace = 2.485873263874981 (2.76894e-06% change) large trace change predicted (7.17064e-06%) linmin: converged after 3 iterations. iteration 404: trace = 2.485873085637827 (7.17e-06% change) linmin: converged after 3 iterations. iteration 405: trace = 2.485872821346301 (1.06317e-05% change) linmin: converged after 5 iterations. iteration 406: trace = 2.485872729276638 (3.70372e-06% change) large trace change predicted (1.06372e-05%) linmin: converged after 4 iterations. iteration 407: trace = 2.485872464910204 (1.06348e-05% change) linmin: converged after 3 iterations. iteration 408: trace = 2.485872311313276 (6.17879e-06% change) linmin: converged after 14 iterations. iteration 409: trace = 2.485872223936334 (3.51494e-06% change) large trace change predicted (7.78093e-06%) linmin: converged after 5 iterations. iteration 410: trace = 2.485872030531145 (7.78017e-06% change) linmin: converged after 3 iterations. iteration 411: trace = 2.485871884420846 (5.87763e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.485871815218446 (2.78383e-06% change) linmin: converged after 4 iterations. iteration 413: trace = 2.485871683821008 (5.28577e-06% change) linmin: converged after 4 iterations. iteration 414: trace = 2.485871494428108 (7.61877e-06% change) linmin: converged after 5 iterations. iteration 415: trace = 2.48587145720753 (1.49728e-06% change) large trace change predicted (6.71818e-06%) linmin: converged after 3 iterations. iteration 416: trace = 2.485871290193783 (6.71852e-06% change) linmin: converged after 2 iterations. iteration 417: trace = 2.485871231414292 (2.36454e-06% change) linmin: converged after 3 iterations. iteration 418: trace = 2.485871190841979 (1.63212e-06% change) large trace change predicted (7.01105e-06%) linmin: converged after 4 iterations. iteration 419: trace = 2.485871016566595 (7.01064e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.485870912572561 (4.1834e-06% change) linmin: converged after 2 iterations. iteration 421: trace = 2.485870880991395 (1.27043e-06% change) large trace change predicted (3.37745e-06%) linmin: converged after 3 iterations. iteration 422: trace = 2.485870797035556 (3.37732e-06% change) linmin: converged after 3 iterations. iteration 423: trace = 2.485870744256358 (2.12317e-06% change) linmin: converged after 7 iterations. iteration 424: trace = 2.485870670290663 (2.97544e-06% change) linmin: converged after 3 iterations. iteration 425: trace = 2.485870544491732 (5.06056e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.485870481732443 (2.52464e-06% change) linmin: converged after 4 iterations. iteration 427: trace = 2.485870411175001 (2.83834e-06% change) linmin: converged after 26 iterations. iteration 428: trace = 2.485870290780793 (4.84314e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.485870255391174 (1.42363e-06% change) large trace change predicted (4.73544e-06%) linmin: converged after 21 iterations. iteration 430: trace = 2.485870137671351 (4.73556e-06% change) linmin: converged after 15 iterations. iteration 431: trace = 2.485870039418725 (3.95244e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.485869986993713 (2.10892e-06% change) large trace change predicted (5.35082e-06%) linmin: converged after 3 iterations. iteration 433: trace = 2.485869853958143 (5.35167e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.485869680056128 (6.99562e-06% change) linmin: converged after 9 iterations. iteration 435: trace = 2.485869643684701 (1.46313e-06% change) large trace change predicted (5.63131e-06%) linmin: converged after 5 iterations. iteration 436: trace = 2.485869503665958 (5.63259e-06% change) linmin: converged after 14 iterations. iteration 437: trace = 2.485869439645072 (2.57539e-06% change) linmin: converged after 3 iterations. iteration 438: trace = 2.485869413994621 (1.03185e-06% change) large trace change predicted (3.37021e-06%) linmin: converged after 3 iterations. iteration 439: trace = 2.485869330210942 (3.3704e-06% change) linmin: converged after 12 iterations. iteration 440: trace = 2.48586928059478 (1.99593e-06% change) linmin: converged after 3 iterations. iteration 441: trace = 2.485869233179883 (1.90738e-06% change) linmin: converged after 4 iterations. iteration 442: trace = 2.485869145610005 (3.52271e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.485869063473394 (3.30414e-06% change) linmin: converged after 2 iterations. iteration 444: trace = 2.485869041127063 (8.98934e-07% change) large trace change predicted (4.19972e-06%) linmin: converged after 5 iterations. iteration 445: trace = 2.485868936738284 (4.19929e-06% change) linmin: converged after 2 iterations. iteration 446: trace = 2.48586888401891 (2.12076e-06% change) linmin: converged after 4 iterations. iteration 447: trace = 2.485868832915147 (2.05577e-06% change) linmin: converged after 3 iterations. iteration 448: trace = 2.485868747720442 (3.42716e-06% change) linmin: converged after 4 iterations. iteration 449: trace = 2.485868684554225 (2.54101e-06% change) linmin: converged after 2 iterations. iteration 450: trace = 2.485868659687701 (1.00032e-06% change) large trace change predicted (2.96403e-06%) linmin: converged after 4 iterations. iteration 451: trace = 2.485868586011092 (2.96382e-06% change) linmin: converged after 4 iterations. iteration 452: trace = 2.485868490425078 (3.84518e-06% change) linmin: converged after 3 iterations. iteration 453: trace = 2.48586846793009 (9.04915e-07% change) large trace change predicted (2.81081e-06%) linmin: converged after 3 iterations. iteration 454: trace = 2.485868398063671 (2.81054e-06% change) linmin: converged after 7 iterations. iteration 455: trace = 2.485868322227633 (3.05069e-06% change) linmin: converged after 32 iterations. iteration 456: trace = 2.48586830730178 (6.00428e-07% change) large trace change predicted (2.52101e-06%) linmin: converged after 29 iterations. iteration 457: trace = 2.485868244635478 (2.5209e-06% change) linmin: converged after 10 iterations. iteration 458: trace = 2.485868224743199 (8.00215e-07% change) linmin: converged after 2 iterations. iteration 459: trace = 2.485868188256212 (1.46778e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.48586815534189 (1.32406e-06% change) linmin: converged after 3 iterations. iteration 461: trace = 2.485868133450664 (8.80627e-07% change) large trace change predicted (1.98458e-06%) linmin: converged after 3 iterations. iteration 462: trace = 2.485868084120775 (1.98441e-06% change) linmin: converged after 4 iterations. iteration 463: trace = 2.485868019497456 (2.59963e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.485867996293494 (9.33435e-07% change) linmin: converged after 4 iterations. iteration 465: trace = 2.485867953826549 (1.70833e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.485867893073292 (2.44395e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.485867876025061 (6.85806e-07% change) large trace change predicted (2.36046e-06%) linmin: converged after 3 iterations. iteration 468: trace = 2.485867817348503 (2.36041e-06% change) linmin: converged after 2 iterations. iteration 469: trace = 2.485867762714372 (2.19779e-06% change) linmin: converged after 5 iterations. iteration 470: trace = 2.485867734917171 (1.11821e-06% change) large trace change predicted (2.39405e-06%) linmin: converged after 2 iterations. iteration 471: trace = 2.485867675403512 (2.39408e-06% change) linmin: converged after 2 iterations. iteration 472: trace = 2.485867613174001 (2.50333e-06% change) linmin: converged after 16 iterations. iteration 473: trace = 2.485867592989133 (8.11985e-07% change) large trace change predicted (2.0842e-06%) linmin: converged after 8 iterations. iteration 474: trace = 2.485867541177512 (2.08425e-06% change) linmin: converged after 3 iterations. iteration 475: trace = 2.485867507563353 (1.35221e-06% change) linmin: converged after 22 iterations. iteration 476: trace = 2.485867498849147 (3.5055e-07% change) large trace change predicted (7.73015e-07%) linmin: converged after 2 iterations. iteration 477: trace = 2.485867479632895 (7.7302e-07% change) linmin: converged after 17 iterations. iteration 478: trace = 2.485867450606877 (1.16764e-06% change) linmin: converged after 32 iterations. iteration 479: trace = 2.485867444141832 (2.60072e-07% change) large trace change predicted (1.05355e-06%) linmin: converged after 4 iterations. iteration 480: trace = 2.485867417950375 (1.05361e-06% change) linmin: converged after 2 iterations. iteration 481: trace = 2.485867396817774 (8.5011e-07% change) linmin: converged after 2 iterations. iteration 482: trace = 2.485867386773368 (4.0406e-07% change) large trace change predicted (1.09553e-06%) linmin: converged after 3 iterations. iteration 483: trace = 2.485867359538926 (1.09557e-06% change) linmin: converged after 2 iterations. iteration 484: trace = 2.48586732478117 (1.39821e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.485867311055481 (5.52149e-07% change) large trace change predicted (1.7335e-06%) linmin: converged after 3 iterations. iteration 486: trace = 2.485867267961204 (1.73357e-06% change) linmin: converged after 2 iterations. iteration 487: trace = 2.485867244239801 (9.54251e-07% change) linmin: converged after 2 iterations. iteration 488: trace = 2.485867233828202 (4.18832e-07% change) large trace change predicted (1.25791e-06%) linmin: converged after 5 iterations. iteration 489: trace = 2.48586720255778 (1.25793e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.485867179788646 (9.15943e-07% change) linmin: converged after 3 iterations. iteration 491: trace = 2.485867169784331 (4.02448e-07% change) large trace change predicted (9.8972e-07%) linmin: converged after 3 iterations. iteration 492: trace = 2.485867145181219 (9.89719e-07% change) linmin: converged after 2 iterations. iteration 493: trace = 2.485867122368226 (9.17708e-07% change) linmin: converged after 18 iterations. iteration 494: trace = 2.485867109572829 (5.14726e-07% change) large trace change predicted (1.27129e-06%) linmin: converged after 3 iterations. iteration 495: trace = 2.485867077972008 (1.27122e-06% change) linmin: converged after 4 iterations. iteration 496: trace = 2.485867055912573 (8.87394e-07% change) linmin: converged after 2 iterations. iteration 497: trace = 2.485867044729456 (4.49868e-07% change) linmin: converged after 12 iterations. iteration 498: trace = 2.48586702695478 (7.15029e-07% change) linmin: converged after 8 iterations. iteration 499: trace = 2.485867016233747 (4.31279e-07% change) linmin: converged after 3 iterations. iteration 500: trace = 2.485867004623938 (4.67033e-07% change) large trace change predicted (9.55285e-07%) linmin: converged after 3 iterations. iteration 501: trace = 2.485866980878031 (9.55236e-07% change) linmin: converged after 4 iterations. iteration 502: trace = 2.485866973526107 (2.95749e-07% change) linmin: converged after 3 iterations. iteration 503: trace = 2.485866961229981 (4.94641e-07% change) linmin: converged after 3 iterations. iteration 504: trace = 2.485866939099254 (8.90262e-07% change) linmin: converged after 3 iterations. iteration 505: trace = 2.485866918690563 (8.20989e-07% change) linmin: converged after 4 iterations. iteration 506: trace = 2.485866895872162 (9.17925e-07% change) large trace change predicted (1.9145e-06%) linmin: converged after 4 iterations. iteration 507: trace = 2.485866848281662 (1.91444e-06% change) linmin: converged after 3 iterations. iteration 508: trace = 2.485866830020769 (7.34589e-07% change) linmin: converged after 9 iterations. iteration 509: trace = 2.485866798780411 (1.25672e-06% change) linmin: converged after 4 iterations. iteration 510: trace = 2.485866759679631 (1.57292e-06% change) linmin: converged after 3 iterations. iteration 511: trace = 2.485866751384479 (3.33693e-07% change) large trace change predicted (1.41447e-06%) linmin: converged after 2 iterations. iteration 512: trace = 2.485866716222462 (1.41448e-06% change) linmin: converged after 2 iterations. iteration 513: trace = 2.485866691268892 (1.00382e-06% change) linmin: converged after 3 iterations. iteration 514: trace = 2.485866681071788 (4.10203e-07% change) large trace change predicted (1.17446e-06%) linmin: converged after 2 iterations. iteration 515: trace = 2.485866651874806 (1.17452e-06% change) linmin: converged after 30 iterations. iteration 516: trace = 2.485866629997839 (8.80054e-07% change) linmin: converged after 24 iterations. iteration 517: trace = 2.485866618664308 (4.55919e-07% change) large trace change predicted (1.14796e-06%) linmin: converged after 3 iterations. iteration 518: trace = 2.485866590126886 (1.14799e-06% change) linmin: converged after 3 iterations. iteration 519: trace = 2.485866569538686 (8.2821e-07% change) linmin: converged after 8 iterations. iteration 520: trace = 2.48586655371236 (6.36652e-07% change) linmin: converged after 4 iterations. iteration 521: trace = 2.485866548712139 (2.01146e-07% change) large trace change predicted (9.13106e-07%) linmin: converged after 4 iterations. iteration 522: trace = 2.485866526013558 (9.13105e-07% change) linmin: converged after 2 iterations. iteration 523: trace = 2.485866506401708 (7.88934e-07% change) linmin: converged after 3 iterations. iteration 524: trace = 2.48586649009149 (6.56118e-07% change) large trace change predicted (1.48377e-06%) linmin: converged after 3 iterations. iteration 525: trace = 2.485866453205912 (1.48381e-06% change) linmin: converged after 4 iterations. iteration 526: trace = 2.485866436147058 (6.86234e-07% change) linmin: converged after 2 iterations. iteration 527: trace = 2.485866420919921 (6.12548e-07% change) linmin: converged after 2 iterations. iteration 528: trace = 2.485866390685679 (1.21625e-06% change) linmin: converged after 3 iterations. iteration 529: trace = 2.485866382828613 (3.1607e-07% change) large trace change predicted (9.44287e-07%) linmin: converged after 3 iterations. iteration 530: trace = 2.48586635935478 (9.44292e-07% change) linmin: converged after 20 iterations. iteration 531: trace = 2.485866335741836 (9.49888e-07% change) linmin: converged after 22 iterations. iteration 532: trace = 2.485866323248332 (5.02581e-07% change) large trace change predicted (1.07893e-06%) linmin: converged after 16 iterations. iteration 533: trace = 2.485866296426903 (1.07896e-06% change) linmin: converged after 5 iterations. iteration 534: trace = 2.48586626738511 (1.16828e-06% change) linmin: converged after 6 iterations. iteration 535: trace = 2.485866258972777 (3.38407e-07% change) large trace change predicted (9.12254e-07%) linmin: converged after 2 iterations. iteration 536: trace = 2.485866236295242 (9.12259e-07% change) linmin: converged after 5 iterations. iteration 537: trace = 2.485866212413076 (9.60718e-07% change) linmin: converged after 3 iterations. iteration 538: trace = 2.485866205654591 (2.71876e-07% change) large trace change predicted (7.64061e-07%) linmin: converged after 20 iterations. iteration 539: trace = 2.485866186660834 (7.6407e-07% change) linmin: converged after 4 iterations. iteration 540: trace = 2.485866170809313 (6.37666e-07% change) linmin: converged after 5 iterations. iteration 541: trace = 2.485866165744737 (2.03735e-07% change) large trace change predicted (7.56376e-07%) linmin: converged after 5 iterations. iteration 542: trace = 2.485866146942725 (7.56357e-07% change) linmin: converged after 11 iterations. iteration 543: trace = 2.485866130747774 (6.51481e-07% change) linmin: converged after 4 iterations. iteration 544: trace = 2.485866122032381 (3.50598e-07% change) large trace change predicted (1.51451e-06%) linmin: converged after 11 iterations. iteration 545: trace = 2.485866084388703 (1.51431e-06% change) linmin: converged after 29 iterations. iteration 546: trace = 2.485866075186559 (3.70179e-07% change) large trace change predicted (8.77737e-07%) linmin: converged after 4 iterations. iteration 547: trace = 2.485866053368421 (8.77688e-07% change) linmin: converged after 6 iterations. iteration 548: trace = 2.485866031826706 (8.66568e-07% change) linmin: converged after 4 iterations. iteration 549: trace = 2.485866010483658 (8.58576e-07% change) linmin: converged after 3 iterations. iteration 550: trace = 2.485866005734243 (1.91057e-07% change) large trace change predicted (9.3547e-07%) linmin: converged after 21 iterations. iteration 551: trace = 2.485865982479988 (9.35459e-07% change) linmin: converged after 3 iterations. iteration 552: trace = 2.485865964358965 (7.28962e-07% change) linmin: converged after 11 iterations. iteration 553: trace = 2.485865958564203 (2.33108e-07% change) large trace change predicted (5.43682e-07%) linmin: converged after 3 iterations. iteration 554: trace = 2.485865945048811 (5.43689e-07% change) linmin: converged after 6 iterations. iteration 555: trace = 2.485865926177687 (7.59137e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.485865921908739 (1.71729e-07% change) large trace change predicted (3.74282e-07%) linmin: converged after 4 iterations. iteration 557: trace = 2.485865912604631 (3.7428e-07% change) linmin: converged after 7 iterations. iteration 558: trace = 2.485865898763034 (5.56812e-07% change) linmin: converged after 2 iterations. iteration 559: trace = 2.485865890594146 (3.28613e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.485865883198732 (2.97498e-07% change) linmin: converged after 18 iterations. iteration 561: trace = 2.485865871369293 (4.75868e-07% change) linmin: converged after 4 iterations. iteration 562: trace = 2.485865863708871 (3.08159e-07% change) linmin: converged after 2 iterations. iteration 563: trace = 2.485865860684591 (1.21659e-07% change) large trace change predicted (6.55238e-07%) linmin: converged after 14 iterations. iteration 564: trace = 2.485865844397677 (6.55181e-07% change) linmin: converged after 26 iterations. iteration 565: trace = 2.485865835896939 (3.41963e-07% change) linmin: converged after 5 iterations. iteration 566: trace = 2.485865828655967 (2.91286e-07% change) linmin: converged after 3 iterations. iteration 567: trace = 2.485865815810901 (5.16724e-07% change) linmin: converged after 3 iterations. iteration 568: trace = 2.485865807771368 (3.2341e-07% change) linmin: converged after 5 iterations. iteration 569: trace = 2.485865795146291 (5.07874e-07% change) linmin: converged after 2 iterations. iteration 570: trace = 2.485865781367603 (5.54281e-07% change) linmin: converged after 20 iterations. iteration 571: trace = 2.485865772803337 (3.44518e-07% change) linmin: converged after 3 iterations. iteration 572: trace = 2.485865764162654 (3.47592e-07% change) linmin: converged after 4 iterations. iteration 573: trace = 2.485865747759466 (6.59858e-07% change) linmin: converged after 4 iterations. iteration 574: trace = 2.485865742153827 (2.255e-07% change) large trace change predicted (6.79819e-07%) linmin: converged after 3 iterations. iteration 575: trace = 2.485865725253269 (6.79866e-07% change) linmin: converged after 3 iterations. iteration 576: trace = 2.485865711751071 (5.43159e-07% change) linmin: converged after 3 iterations. iteration 577: trace = 2.485865708891211 (1.15045e-07% change) large trace change predicted (3.69306e-07%) linmin: converged after 3 iterations. iteration 578: trace = 2.485865699710651 (3.6931e-07% change) linmin: converged after 11 iterations. iteration 579: trace = 2.485865691388251 (3.34789e-07% change) linmin: converged after 7 iterations. iteration 580: trace = 2.485865683910438 (3.00813e-07% change) linmin: converged after 12 iterations. iteration 581: trace = 2.48586567938243 (1.8215e-07% change) large trace change predicted (4.60106e-07%) linmin: converged after 3 iterations. iteration 582: trace = 2.485865667945014 (4.60098e-07% change) linmin: converged after 3 iterations. iteration 583: trace = 2.485865662952972 (2.00817e-07% change) linmin: converged after 4 iterations. iteration 584: trace = 2.485865656701815 (2.51468e-07% change) large trace change predicted (5.37333e-07%) linmin: converged after 4 iterations. iteration 585: trace = 2.485865643345008 (5.3731e-07% change) linmin: converged after 4 iterations. iteration 586: trace = 2.485865640616766 (1.0975e-07% change) large trace change predicted (4.63027e-07%) linmin: converged after 3 iterations. iteration 587: trace = 2.48586562910696 (4.6301e-07% change) linmin: converged after 7 iterations. iteration 588: trace = 2.485865620579228 (3.43049e-07% change) linmin: converged after 4 iterations. iteration 589: trace = 2.485865610866434 (3.90721e-07% change) linmin: converged after 11 iterations. iteration 590: trace = 2.485865608049879 (1.13303e-07% change) large trace change predicted (4.24282e-07%) linmin: converged after 20 iterations. iteration 591: trace = 2.485865597503016 (4.24273e-07% change) linmin: converged after 14 iterations. iteration 592: trace = 2.485865593504626 (1.60845e-07% change) linmin: converged after 14 iterations. iteration 593: trace = 2.485865587123043 (2.56715e-07% change) linmin: converged after 5 iterations. iteration 594: trace = 2.485865576458851 (4.28993e-07% change) linmin: converged after 4 iterations. iteration 595: trace = 2.485865572939455 (1.41576e-07% change) linmin: converged after 4 iterations. iteration 596: trace = 2.48586556675149 (2.48926e-07% change) linmin: converged after 4 iterations. iteration 597: trace = 2.485865560634619 (2.46066e-07% change) linmin: converged after 19 iterations. iteration 598: trace = 2.485865559082415 (6.24412e-08% change) large trace change predicted (2.19717e-07%) linmin: converged after 3 iterations. iteration 599: trace = 2.485865553620635 (2.19713e-07% change) linmin: converged after 3 iterations. iteration 600: trace = 2.485865549531818 (1.64483e-07% change) linmin: converged after 6 iterations. iteration 601: trace = 2.485865547203728 (9.36531e-08% change) large trace change predicted (2.17335e-07%) linmin: converged after 4 iterations. iteration 602: trace = 2.485865541801099 (2.17334e-07% change) linmin: converged after 3 iterations. iteration 603: trace = 2.485865536131561 (2.28071e-07% change) linmin: converged after 9 iterations. iteration 604: trace = 2.485865532492405 (1.46394e-07% change) large trace change predicted (3.47301e-07%) linmin: converged after 8 iterations. iteration 605: trace = 2.485865523859311 (3.47287e-07% change) linmin: converged after 6 iterations. iteration 606: trace = 2.485865519053076 (1.93343e-07% change) linmin: converged after 8 iterations. iteration 607: trace = 2.485865516999705 (8.26018e-08% change) large trace change predicted (3.24611e-07%) linmin: converged after 4 iterations. iteration 608: trace = 2.485865508930416 (3.24607e-07% change) linmin: converged after 3 iterations. iteration 609: trace = 2.485865503966822 (1.99673e-07% change) linmin: converged after 4 iterations. iteration 610: trace = 2.485865498832388 (2.06545e-07% change) linmin: converged after 4 iterations. iteration 611: trace = 2.485865491854048 (2.80721e-07% change) linmin: converged after 14 iterations. iteration 612: trace = 2.485865482931558 (3.58929e-07% change) linmin: converged after 10 iterations. iteration 613: trace = 2.485865481365619 (6.29937e-08% change) large trace change predicted (2.19712e-07%) linmin: converged after 4 iterations. iteration 614: trace = 2.485865475903803 (2.19715e-07% change) linmin: converged after 4 iterations. iteration 615: trace = 2.485865472071529 (1.54163e-07% change) linmin: converged after 6 iterations. iteration 616: trace = 2.485865471161913 (3.65915e-08% change) large trace change predicted (9.4761e-08%) linmin: converged after 6 iterations. iteration 617: trace = 2.485865468806269 (9.47615e-08% change) linmin: converged after 2 iterations. iteration 618: trace = 2.485865465853961 (1.18764e-07% change) linmin: converged after 27 iterations. iteration 619: trace = 2.485865464892822 (3.86642e-08% change) large trace change predicted (1.09374e-07%) linmin: converged after 2 iterations. iteration 620: trace = 2.485865462173916 (1.09375e-07% change) linmin: converged after 5 iterations. iteration 621: trace = 2.485865459243237 (1.17894e-07% change) linmin: converged after 4 iterations. iteration 622: trace = 2.485865458284646 (3.85617e-08% change) large trace change predicted (1.13672e-07%) linmin: converged after 4 iterations. iteration 623: trace = 2.485865455458881 (1.13673e-07% change) linmin: converged after 12 iterations. iteration 624: trace = 2.485865450855711 (1.85174e-07% change) linmin: converged after 28 iterations. iteration 625: trace = 2.485865449820198 (4.1656e-08% change) large trace change predicted (1.97861e-07%) linmin: converged after 8 iterations. iteration 626: trace = 2.485865444901576 (1.97864e-07% change) linmin: converged after 4 iterations. iteration 627: trace = 2.485865442227376 (1.07576e-07% change) linmin: converged after 3 iterations. iteration 628: trace = 2.48586544082506 (5.64116e-08% change) large trace change predicted (1.3045e-07%) linmin: converged after 4 iterations. iteration 629: trace = 2.485865437582248 (1.3045e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.48586543541829 (8.70505e-08% change) linmin: converged after 6 iterations. iteration 631: trace = 2.485865433787513 (6.5602e-08% change) linmin: converged after 6 iterations. iteration 632: trace = 2.485865430826964 (1.19095e-07% change) linmin: converged after 3 iterations. iteration 633: trace = 2.485865427173128 (1.46984e-07% change) linmin: converged after 22 iterations. iteration 634: trace = 2.485865425780974 (5.60028e-08% change) large trace change predicted (1.63076e-07%) linmin: converged after 12 iterations. iteration 635: trace = 2.485865421727208 (1.63073e-07% change) linmin: converged after 5 iterations. iteration 636: trace = 2.485865420716171 (4.06714e-08% change) linmin: converged after 8 iterations. iteration 637: trace = 2.485865418741218 (7.94473e-08% change) linmin: converged after 4 iterations. iteration 638: trace = 2.485865416308797 (9.78501e-08% change) linmin: converged after 4 iterations. iteration 639: trace = 2.485865415586216 (2.90676e-08% change) large trace change predicted (7.8939e-08%) linmin: converged after 3 iterations. iteration 640: trace = 2.485865413623912 (7.89385e-08% change) linmin: converged after 4 iterations. iteration 641: trace = 2.485865411064103 (1.02975e-07% change) linmin: converged after 3 iterations. iteration 642: trace = 2.485865409666585 (5.62186e-08% change) linmin: converged after 3 iterations. iteration 643: trace = 2.485865408621831 (4.20278e-08% change) large trace change predicted (1.1032e-07%) linmin: converged after 6 iterations. iteration 644: trace = 2.485865405879441 (1.10319e-07% change) linmin: converged after 4 iterations. iteration 645: trace = 2.485865404359473 (6.11444e-08% change) large trace change predicted (1.35969e-07%) linmin: converged after 7 iterations. iteration 646: trace = 2.485865400979491 (1.35968e-07% change) linmin: converged after 17 iterations. iteration 647: trace = 2.48586539529247 (2.28774e-07% change) linmin: converged after 29 iterations. iteration 648: trace = 2.485865393324314 (7.91739e-08% change) linmin: converged after 4 iterations. iteration 649: trace = 2.485865389599396 (1.49844e-07% change) linmin: converged after 4 iterations. iteration 650: trace = 2.48586538469004 (1.97491e-07% change) linmin: converged after 4 iterations. iteration 651: trace = 2.485865383643857 (4.20853e-08% change) large trace change predicted (1.66559e-07%) linmin: converged after 4 iterations. iteration 652: trace = 2.485865379503407 (1.6656e-07% change) linmin: converged after 3 iterations. iteration 653: trace = 2.485865377013683 (1.00155e-07% change) linmin: converged after 5 iterations. iteration 654: trace = 2.485865375630695 (5.5634e-08% change) large trace change predicted (1.67618e-07%) linmin: converged after 3 iterations. iteration 655: trace = 2.485865371463805 (1.67623e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.485865368074782 (1.36332e-07% change) linmin: converged after 4 iterations. iteration 657: trace = 2.485865366747093 (5.34095e-08% change) large trace change predicted (1.17999e-07%) linmin: converged after 3 iterations. iteration 658: trace = 2.485865363813772 (1.18e-07% change) linmin: converged after 4 iterations. iteration 659: trace = 2.485865361439716 (9.55022e-08% change) linmin: converged after 2 iterations. iteration 660: trace = 2.485865359244011 (8.83276e-08% change) linmin: converged after 12 iterations. iteration 661: trace = 2.485865358233724 (4.06413e-08% change) large trace change predicted (1.01237e-07%) linmin: converged after 3 iterations. iteration 662: trace = 2.485865355717102 (1.01237e-07% change) linmin: converged after 4 iterations. iteration 663: trace = 2.48586535300271 (1.09193e-07% change) linmin: converged after 4 iterations. iteration 664: trace = 2.485865351824437 (4.73989e-08% change) large trace change predicted (1.50156e-07%) linmin: converged after 2 iterations. iteration 665: trace = 2.485865348091738 (1.50157e-07% change) linmin: converged after 4 iterations. iteration 666: trace = 2.485865345448826 (1.06318e-07% change) linmin: converged after 11 iterations. iteration 667: trace = 2.485865343746249 (6.84903e-08% change) large trace change predicted (1.49826e-07%) linmin: converged after 4 iterations. iteration 668: trace = 2.485865340021753 (1.49827e-07% change) linmin: converged after 7 iterations. iteration 669: trace = 2.485865339024858 (4.01025e-08% change) large trace change predicted (1.21677e-07%) linmin: converged after 22 iterations. iteration 670: trace = 2.485865336000082 (1.21679e-07% change) linmin: converged after 6 iterations. iteration 671: trace = 2.485865333249115 (1.10664e-07% change) linmin: converged after 3 iterations. iteration 672: trace = 2.485865331497596 (7.04591e-08% change) linmin: converged after 2 iterations. iteration 673: trace = 2.485865328692755 (1.12832e-07% change) linmin: converged after 17 iterations. iteration 674: trace = 2.485865324656489 (1.62369e-07% change) linmin: converged after 7 iterations. iteration 675: trace = 2.485865323681069 (3.92387e-08% change) large trace change predicted (1.06218e-07%) linmin: converged after 4 iterations. iteration 676: trace = 2.48586532104061 (1.06219e-07% change) linmin: converged after 4 iterations. iteration 677: trace = 2.485865318047731 (1.20396e-07% change) linmin: converged after 4 iterations. iteration 678: trace = 2.485865317355628 (2.78415e-08% change) large trace change predicted (1.01426e-07%) linmin: converged after 2 iterations. iteration 679: trace = 2.485865314834305 (1.01426e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.485865312919978 (7.70085e-08% change) linmin: converged after 6 iterations. iteration 681: trace = 2.485865312027291 (3.59105e-08% change) linmin: converged after 4 iterations. iteration 682: trace = 2.485865310276112 (7.04454e-08% change) linmin: converged after 19 iterations. iteration 683: trace = 2.485865307493994 (1.11917e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.485865306098545 (5.61353e-08% change) large trace change predicted (1.32098e-07%) linmin: converged after 4 iterations. iteration 685: trace = 2.485865302814865 (1.32094e-07% change) linmin: converged after 13 iterations. iteration 686: trace = 2.485865300026325 (1.12176e-07% change) linmin: converged after 3 iterations. iteration 687: trace = 2.485865299163148 (3.47234e-08% change) large trace change predicted (1.03175e-07%) linmin: converged after 4 iterations. iteration 688: trace = 2.485865296598393 (1.03174e-07% change) linmin: converged after 3 iterations. iteration 689: trace = 2.485865294306469 (9.21982e-08% change) linmin: converged after 5 iterations. iteration 690: trace = 2.485865293381978 (3.71899e-08% change) large trace change predicted (9.65726e-08%) linmin: converged after 13 iterations. iteration 691: trace = 2.485865290981323 (9.65722e-08% change) linmin: converged after 3 iterations. iteration 692: trace = 2.485865289201401 (7.16017e-08% change) linmin: converged after 3 iterations. iteration 693: trace = 2.485865288198151 (4.03582e-08% change) linmin: converged after 4 iterations. iteration 694: trace = 2.485865286439175 (7.07591e-08% change) linmin: converged after 8 iterations. iteration 695: trace = 2.485865283907873 (1.01828e-07% change) linmin: converged after 16 iterations. iteration 696: trace = 2.485865283583839 (1.3035e-08% change) large trace change predicted (5.9495e-08%) linmin: converged after 4 iterations. iteration 697: trace = 2.485865282104879 (5.94948e-08% change) linmin: converged after 4 iterations. iteration 698: trace = 2.485865280604293 (6.03648e-08% change) large trace change predicted (1.33776e-07%) linmin: converged after 4 iterations. iteration 699: trace = 2.485865277278877 (1.33773e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.485865274452708 (1.1369e-07% change) linmin: converged after 4 iterations. iteration 701: trace = 2.485865273109587 (5.40303e-08% change) linmin: converged after 2 iterations. iteration 702: trace = 2.485865272512046 (2.40375e-08% change) linmin: converged after 4 iterations. iteration 703: trace = 2.485865271690666 (3.3042e-08% change) linmin: converged after 4 iterations. iteration 704: trace = 2.48586527009937 (6.40137e-08% change) linmin: converged after 6 iterations. iteration 705: trace = 2.485865269650481 (1.80577e-08% change) large trace change predicted (6.21585e-08%) linmin: converged after 7 iterations. iteration 706: trace = 2.485865268105322 (6.21578e-08% change) linmin: converged after 4 iterations. iteration 707: trace = 2.485865266427404 (6.74984e-08% change) linmin: converged after 2 iterations. iteration 708: trace = 2.485865265636122 (3.18312e-08% change) linmin: converged after 16 iterations. iteration 709: trace = 2.485865264471996 (4.68298e-08% change) linmin: converged after 4 iterations. iteration 710: trace = 2.48586526278609 (6.78197e-08% change) linmin: converged after 4 iterations. iteration 711: trace = 2.485865262330762 (1.83167e-08% change) large trace change predicted (7.09122e-08%) linmin: converged after 7 iterations. iteration 712: trace = 2.48586526056796 (7.0913e-08% change) linmin: converged after 4 iterations. iteration 713: trace = 2.485865259129184 (5.78783e-08% change) linmin: converged after 5 iterations. iteration 714: trace = 2.485865258609236 (2.09162e-08% change) large trace change predicted (8.90484e-08%) linmin: converged after 5 iterations. iteration 715: trace = 2.485865256395566 (8.90503e-08% change) linmin: converged after 5 iterations. iteration 716: trace = 2.485865254644665 (7.04342e-08% change) linmin: converged after 18 iterations. iteration 717: trace = 2.485865254231463 (1.66221e-08% change) large trace change predicted (3.49756e-08%) linmin: converged after 6 iterations. iteration 718: trace = 2.485865253362014 (3.49757e-08% change) linmin: converged after 3 iterations. iteration 719: trace = 2.485865252400799 (3.86672e-08% change) linmin: converged after 4 iterations. iteration 720: trace = 2.485865252134373 (1.07176e-08% change) large trace change predicted (4.68321e-08%) linmin: converged after 4 iterations. iteration 721: trace = 2.485865250970197 (4.68319e-08% change) linmin: converged after 4 iterations. iteration 722: trace = 2.485865249725378 (5.00759e-08% change) linmin: converged after 6 iterations. iteration 723: trace = 2.485865249303344 (1.69774e-08% change) large trace change predicted (4.16707e-08%) linmin: converged after 4 iterations. iteration 724: trace = 2.485865248267469 (4.16706e-08% change) linmin: converged after 4 iterations. iteration 725: trace = 2.485865246820299 (5.82159e-08% change) linmin: converged after 4 iterations. iteration 726: trace = 2.48586524644703 (1.50157e-08% change) large trace change predicted (4.78694e-08%) linmin: converged after 9 iterations. iteration 727: trace = 2.485865245257072 (4.78689e-08% change) linmin: converged after 5 iterations. iteration 728: trace = 2.485865244055209 (4.83479e-08% change) linmin: converged after 24 iterations. iteration 729: trace = 2.485865243396975 (2.64791e-08% change) linmin: converged after 4 iterations. iteration 730: trace = 2.485865242756343 (2.5771e-08% change) linmin: converged after 8 iterations. iteration 731: trace = 2.485865241644774 (4.47156e-08% change) linmin: converged after 2 iterations. iteration 732: trace = 2.485865241069395 (2.3146e-08% change) linmin: converged after 4 iterations. iteration 733: trace = 2.485865240248724 (3.30135e-08% change) linmin: converged after 7 iterations. iteration 734: trace = 2.485865239042962 (4.85047e-08% change) linmin: converged after 4 iterations. iteration 735: trace = 2.48586523848481 (2.2453e-08% change) linmin: converged after 3 iterations. iteration 736: trace = 2.485865238100206 (1.54716e-08% change) large trace change predicted (3.4548e-08%) linmin: converged after 3 iterations. iteration 737: trace = 2.485865237241395 (3.45478e-08% change) linmin: converged after 20 iterations. iteration 738: trace = 2.485865236900455 (1.37152e-08% change) linmin: converged after 3 iterations. iteration 739: trace = 2.485865236454114 (1.79552e-08% change) linmin: converged after 4 iterations. iteration 740: trace = 2.485865235980166 (1.90657e-08% change) linmin: converged after 4 iterations. iteration 741: trace = 2.485865235703937 (1.1112e-08% change) large trace change predicted (2.86331e-08%) linmin: converged after 3 iterations. iteration 742: trace = 2.485865234992159 (2.8633e-08% change) linmin: converged after 4 iterations. iteration 743: trace = 2.485865233985277 (4.05043e-08% change) linmin: converged after 3 iterations. iteration 744: trace = 2.485865233754162 (9.29717e-09% change) large trace change predicted (3.0813e-08%) linmin: converged after 7 iterations. iteration 745: trace = 2.485865232988195 (3.08129e-08% change) linmin: converged after 2 iterations. iteration 746: trace = 2.48586523222742 (3.06041e-08% change) linmin: converged after 4 iterations. iteration 747: trace = 2.485865231670393 (2.24078e-08% change) linmin: converged after 2 iterations. iteration 748: trace = 2.485865231406732 (1.06064e-08% change) large trace change predicted (3.46596e-08%) linmin: converged after 16 iterations. iteration 749: trace = 2.485865230545142 (3.46596e-08% change) linmin: converged after 24 iterations. iteration 750: trace = 2.485865229954649 (2.3754e-08% change) linmin: converged after 3 iterations. iteration 751: trace = 2.485865229421019 (2.14666e-08% change) linmin: converged after 4 iterations. iteration 752: trace = 2.485865228599152 (3.30616e-08% change) linmin: converged after 3 iterations. iteration 753: trace = 2.48586522777317 (3.32271e-08% change) linmin: converged after 2 iterations. iteration 754: trace = 2.485865227627385 (5.86455e-09% change) large trace change predicted (2.5362e-08%) linmin: converged after 3 iterations. iteration 755: trace = 2.485865226996919 (2.5362e-08% change) linmin: converged after 4 iterations. iteration 756: trace = 2.485865226777721 (8.81777e-09% change) linmin: converged after 4 iterations. iteration 757: trace = 2.485865226608296 (6.81555e-09% change) linmin: converged after 2 iterations. iteration 758: trace = 2.4858652262888 (1.28525e-08% change) linmin: converged after 3 iterations. iteration 759: trace = 2.485865226040943 (9.97065e-09% change) linmin: converged after 36 iterations. iteration 760: trace = 2.485865225811314 (9.23738e-09% change) linmin: converged after 7 iterations. iteration 761: trace = 2.485865225440171 (1.49302e-08% change) linmin: converged after 4 iterations. iteration 762: trace = 2.485865225288361 (6.10691e-09% change) linmin: converged after 8 iterations. iteration 763: trace = 2.485865225055666 (9.36071e-09% change) large trace change predicted (2.08393e-08%) linmin: converged after 3 iterations. iteration 764: trace = 2.485865224537629 (2.08393e-08% change) linmin: converged after 4 iterations. iteration 765: trace = 2.485865224428886 (4.37444e-09% change) large trace change predicted (2.18974e-08%) linmin: converged after 2 iterations. iteration 766: trace = 2.485865223884546 (2.18974e-08% change) linmin: converged after 4 iterations. iteration 767: trace = 2.485865223528712 (1.43143e-08% change) linmin: converged after 19 iterations. iteration 768: trace = 2.485865223237374 (1.17197e-08% change) linmin: converged after 3 iterations. iteration 769: trace = 2.485865223118294 (4.79028e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 770: trace = 2.485865223011 (4.31619e-09% change) large trace change predicted (9.04054e-09%) linmin: converged after 3 iterations. iteration 771: trace = 2.485865222786265 (9.04051e-09% change) linmin: converged after 3 iterations. iteration 772: trace = 2.485865222399922 (1.55416e-08% change) linmin: converged after 20 iterations. iteration 773: trace = 2.485865222186273 (8.59454e-09% change) linmin: converged after 6 iterations. iteration 774: trace = 2.485865221898463 (1.15779e-08% change) linmin: converged after 5 iterations. iteration 775: trace = 2.48586522146721 (1.73482e-08% change) linmin: converged after 3 iterations. iteration 776: trace = 2.485865221322491 (5.82165e-09% change) linmin: converged after 4 iterations. iteration 777: trace = 2.485865221071898 (1.00807e-08% change) linmin: converged after 14 iterations. iteration 778: trace = 2.485865220836317 (9.4768e-09% change) linmin: converged after 4 iterations. iteration 779: trace = 2.485865220740158 (3.86823e-09% change) large trace change predicted (1.14534e-08%) linmin: converged after 4 iterations. iteration 780: trace = 2.485865220455443 (1.14534e-08% change) linmin: converged after 3 iterations. iteration 781: trace = 2.485865220145579 (1.2465e-08% change) linmin: converged after 5 iterations. iteration 782: trace = 2.485865220056235 (3.5941e-09% change) large trace change predicted (7.83068e-09%) linmin: converged after 21 iterations. iteration 783: trace = 2.485865219861578 (7.83052e-09% change) linmin: converged after 3 iterations. iteration 784: trace = 2.485865219507575 (1.42406e-08% change) linmin: converged after 4 iterations. iteration 785: trace = 2.485865219385597 (4.90688e-09% change) large trace change predicted (2.33241e-08%) linmin: converged after 6 iterations. iteration 786: trace = 2.485865218805796 (2.33239e-08% change) linmin: converged after 14 iterations. iteration 787: trace = 2.48586521851486 (1.17036e-08% change) linmin: converged after 8 iterations. iteration 788: trace = 2.485865218115399 (1.60693e-08% change) linmin: converged after 5 iterations. iteration 789: trace = 2.485865217583654 (2.13907e-08% change) linmin: converged after 6 iterations. iteration 790: trace = 2.485865217173871 (1.64845e-08% change) linmin: converged after 3 iterations. iteration 791: trace = 2.485865216926728 (9.94194e-09% change) linmin: converged after 3 iterations. iteration 792: trace = 2.485865216527604 (1.60557e-08% change) linmin: converged after 4 iterations. iteration 793: trace = 2.48586521613341 (1.58574e-08% change) linmin: converged after 19 iterations. iteration 794: trace = 2.485865216008527 (5.02371e-09% change) large trace change predicted (2.05309e-08%) linmin: converged after 28 iterations. iteration 795: trace = 2.485865215498157 (2.05309e-08% change) linmin: converged after 3 iterations. iteration 796: trace = 2.485865215057126 (1.77415e-08% change) linmin: converged after 4 iterations. iteration 797: trace = 2.485865214868046 (7.60624e-09% change) linmin: converged after 18 iterations. iteration 798: trace = 2.485865214627248 (9.68667e-09% change) linmin: converged after 3 iterations. iteration 799: trace = 2.48586521436607 (1.05065e-08% change) linmin: converged after 5 iterations. iteration 800: trace = 2.485865214260306 (4.25463e-09% change) large trace change predicted (9.64774e-09%) linmin: converged after 5 iterations. iteration 801: trace = 2.485865214020475 (9.6478e-09% change) linmin: converged after 8 iterations. iteration 802: trace = 2.485865213660384 (1.44855e-08% change) linmin: converged after 18 iterations. iteration 803: trace = 2.485865213293775 (1.47477e-08% change) linmin: converged after 3 iterations. iteration 804: trace = 2.485865213147058 (5.90203e-09% change) large trace change predicted (1.40192e-08%) linmin: converged after 27 iterations. iteration 805: trace = 2.485865212798556 (1.40194e-08% change) linmin: converged after 23 iterations. iteration 806: trace = 2.485865212446051 (1.41803e-08% change) linmin: converged after 4 iterations. iteration 807: trace = 2.48586521225953 (7.50328e-09% change) large trace change predicted (1.82494e-08%) linmin: converged after 12 iterations. iteration 808: trace = 2.485865211805874 (1.82494e-08% change) linmin: converged after 19 iterations. iteration 809: trace = 2.48586521154175 (1.0625e-08% change) linmin: converged after 24 iterations. iteration 810: trace = 2.485865211390417 (6.08773e-09% change) large trace change predicted (1.64098e-08%) linmin: converged after 5 iterations. iteration 811: trace = 2.48586521098249 (1.64099e-08% change) linmin: converged after 4 iterations. iteration 812: trace = 2.485865210631671 (1.41126e-08% change) linmin: converged after 4 iterations. iteration 813: trace = 2.485865210438951 (7.75262e-09% change) large trace change predicted (1.78519e-08%) linmin: converged after 16 iterations. iteration 814: trace = 2.485865209995174 (1.7852e-08% change) linmin: converged after 4 iterations. iteration 815: trace = 2.485865209712896 (1.13553e-08% change) linmin: converged after 4 iterations. iteration 816: trace = 2.485865209574998 (5.54729e-09% change) large trace change predicted (1.42357e-08%) linmin: converged after 6 iterations. iteration 817: trace = 2.485865209221114 (1.42358e-08% change) linmin: converged after 2 iterations. iteration 818: trace = 2.485865208981652 (9.63294e-09% change) linmin: converged after 5 iterations. iteration 819: trace = 2.485865208898662 (3.3385e-09% change) large trace change predicted (1.07403e-08%) linmin: converged after 4 iterations. iteration 820: trace = 2.485865208631673 (1.07403e-08% change) linmin: converged after 7 iterations. iteration 821: trace = 2.485865208468182 (6.57682e-09% change) linmin: converged after 24 iterations. iteration 822: trace = 2.485865208357853 (4.43824e-09% change) large trace change predicted (1.4529e-08%) linmin: converged after 6 iterations. iteration 823: trace = 2.485865207996689 (1.45287e-08% change) linmin: converged after 4 iterations. iteration 824: trace = 2.485865207478519 (2.08446e-08% change) linmin: converged after 14 iterations. iteration 825: trace = 2.485865207342512 (5.47122e-09% change) linmin: converged after 12 iterations. iteration 826: trace = 2.485865207111771 (9.28211e-09% change) linmin: converged after 6 iterations. iteration 827: trace = 2.485865206773928 (1.35906e-08% change) linmin: converged after 28 iterations. iteration 828: trace = 2.485865206645257 (5.1761e-09% change) linmin: converged after 4 iterations. iteration 829: trace = 2.48586520642048 (9.04221e-09% change) linmin: converged after 4 iterations. iteration 830: trace = 2.485865206093515 (1.3153e-08% change) linmin: converged after 9 iterations. iteration 831: trace = 2.485865205921032 (6.93856e-09% change) linmin: converged after 12 iterations. iteration 832: trace = 2.485865205810471 (4.44756e-09% change) large trace change predicted (1.16417e-08%) linmin: converged after 3 iterations. iteration 833: trace = 2.485865205521074 (1.16417e-08% change) linmin: converged after 18 iterations. iteration 834: trace = 2.485865205456227 (2.60864e-09% change) large trace change predicted (9.12047e-09%) linmin: converged after 6 iterations. iteration 835: trace = 2.485865205229504 (9.12049e-09% change) linmin: converged after 12 iterations. iteration 836: trace = 2.485865205086512 (5.75221e-09% change) linmin: converged after 15 iterations. iteration 837: trace = 2.485865205035641 (2.0464e-09% change) large trace change predicted (7.69715e-09%) linmin: converged after 4 iterations. iteration 838: trace = 2.485865204844301 (7.69713e-09% change) large trace change predicted (3.31943e-08%) linmin: converged after 8 iterations. iteration 839: trace = 2.485865204019138 (3.31942e-08% change) resetting CG direction... linmin: converged after 25 iterations. iteration 840: trace = 2.485865203667318 (1.41529e-08% change) linmin: converged after 2 iterations. iteration 841: trace = 2.485865203254224 (1.66177e-08% change) linmin: converged after 26 iterations. iteration 842: trace = 2.485865203122991 (5.27918e-09% change) linmin: converged after 12 iterations. iteration 843: trace = 2.485865203082156 (1.64267e-09% change) large trace change predicted (4.71965e-09%) linmin: converged after 3 iterations. iteration 844: trace = 2.485865202964833 (4.71961e-09% change) linmin: converged after 19 iterations. iteration 845: trace = 2.485865202835416 (5.20615e-09% change) linmin: converged after 4 iterations. iteration 846: trace = 2.485865202757523 (3.13341e-09% change) large trace change predicted (8.64022e-09%) linmin: converged after 4 iterations. iteration 847: trace = 2.485865202542741 (8.64015e-09% change) linmin: converged after 8 iterations. iteration 848: trace = 2.485865202467049 (3.04489e-09% change) linmin: converged after 4 iterations. iteration 849: trace = 2.485865202324093 (5.75073e-09% change) linmin: converged after 4 iterations. iteration 850: trace = 2.485865202136429 (7.54926e-09% change) linmin: converged after 4 iterations. iteration 851: trace = 2.485865202063151 (2.9478e-09% change) linmin: converged after 4 iterations. iteration 852: trace = 2.485865201916832 (5.88602e-09% change) linmin: converged after 36 iterations. iteration 853: trace = 2.485865201719041 (7.95661e-09% change) linmin: converged after 3 iterations. iteration 854: trace = 2.48586520160303 (4.66685e-09% change) linmin: converged after 4 iterations. iteration 855: trace = 2.485865201522344 (3.2458e-09% change) large trace change predicted (9.49741e-09%) linmin: converged after 4 iterations. iteration 856: trace = 2.485865201286249 (9.4975e-09% change) linmin: converged after 25 iterations. iteration 857: trace = 2.485865201174299 (4.50346e-09% change) linmin: converged after 10 iterations. iteration 858: trace = 2.48586520109472 (3.20124e-09% change) linmin: converged after 19 iterations. iteration 859: trace = 2.485865200981267 (4.56392e-09% change) linmin: converged after 4 iterations. iteration 860: trace = 2.485865200916747 (2.59549e-09% change) linmin: converged after 5 iterations. iteration 861: trace = 2.485865200849259 (2.71484e-09% change) linmin: converged after 15 iterations. iteration 862: trace = 2.485865200718574 (5.25715e-09% change) linmin: converged after 3 iterations. iteration 863: trace = 2.485865200638832 (3.2078e-09% change) linmin: converged after 4 iterations. iteration 864: trace = 2.485865200558919 (3.21471e-09% change) linmin: converged after 4 iterations. iteration 865: trace = 2.485865200411697 (5.92234e-09% change) linmin: converged after 4 iterations. iteration 866: trace = 2.48586520028927 (4.92496e-09% change) linmin: converged after 25 iterations. iteration 867: trace = 2.485865200240234 (1.97257e-09% change) large trace change predicted (7.01101e-09%) linmin: converged after 13 iterations. iteration 868: trace = 2.485865200065955 (7.01079e-09% change) linmin: converged after 4 iterations. iteration 869: trace = 2.485865199934836 (5.27459e-09% change) linmin: converged after 16 iterations. iteration 870: trace = 2.485865199890833 (1.77015e-09% change) linmin: converged after 4 iterations. iteration 871: trace = 2.485865199814926 (3.05354e-09% change) linmin: converged after 21 iterations. iteration 872: trace = 2.485865199681697 (5.35944e-09% change) linmin: converged after 4 iterations. iteration 873: trace = 2.485865199636535 (1.81676e-09% change) large trace change predicted (4.18242e-09%) linmin: converged after 4 iterations. iteration 874: trace = 2.485865199532565 (4.18245e-09% change) linmin: converged after 5 iterations. iteration 875: trace = 2.485865199443655 (3.57663e-09% change) linmin: converged after 10 iterations. iteration 876: trace = 2.485865199402514 (1.65499e-09% change) large trace change predicted (3.5557e-09%) linmin: converged after 3 iterations. iteration 877: trace = 2.485865199314126 (3.55562e-09% change) linmin: converged after 3 iterations. iteration 878: trace = 2.485865199229332 (3.41104e-09% change) linmin: converged after 21 iterations. iteration 879: trace = 2.485865199200734 (1.15044e-09% change) linmin: converged after 9 iterations. iteration 880: trace = 2.485865199156711 (1.77092e-09% change) linmin: converged after 16 iterations. iteration 881: trace = 2.48586519909115 (2.63736e-09% change) linmin: converged after 5 iterations. iteration 882: trace = 2.48586519906895 (8.9305e-10% change) large trace change predicted (3.83822e-09%) linmin: converged after 3 iterations. iteration 883: trace = 2.48586519897354 (3.83808e-09% change) linmin: converged after 4 iterations. iteration 884: trace = 2.485865198901119 (2.91332e-09% change) linmin: converged after 3 iterations. iteration 885: trace = 2.485865198861212 (1.60535e-09% change) large trace change predicted (3.68247e-09%) linmin: converged after 6 iterations. iteration 886: trace = 2.485865198769671 (3.68246e-09% change) linmin: converged after 4 iterations. iteration 887: trace = 2.485865198706022 (2.56044e-09% change) linmin: converged after 2 iterations. iteration 888: trace = 2.485865198656273 (2.00128e-09% change) linmin: converged after 2 iterations. iteration 889: trace = 2.485865198614059 (1.69817e-09% change) large trace change predicted (3.805e-09%) linmin: converged after 7 iterations. iteration 890: trace = 2.485865198519475 (3.80487e-09% change) linmin: converged after 6 iterations. iteration 891: trace = 2.485865198489881 (1.19051e-09% change) large trace change predicted (3.10238e-09%) linmin: converged after 21 iterations. iteration 892: trace = 2.48586519841276 (3.10236e-09% change) linmin: converged after 4 iterations. iteration 893: trace = 2.485865198303793 (4.38345e-09% change) linmin: converged after 12 iterations. iteration 894: trace = 2.485865198269464 (1.381e-09% change) large trace change predicted (2.81361e-09%) linmin: converged after 8 iterations. iteration 895: trace = 2.485865198199524 (2.81349e-09% change) linmin: converged after 2 iterations. iteration 896: trace = 2.485865198136266 (2.5447e-09% change) linmin: converged after 8 iterations. iteration 897: trace = 2.485865198118605 (7.10474e-10% change) linmin: converged after 4 iterations. iteration 898: trace = 2.485865198095173 (9.42588e-10% change) linmin: converged after 2 iterations. iteration 899: trace = 2.485865198049976 (1.81818e-09% change) linmin: converged after 4 iterations. iteration 900: trace = 2.485865198011751 (1.53768e-09% change) linmin: converged after 4 iterations. iteration 901: trace = 2.485865197997444 (5.75525e-10% change) large trace change predicted (1.29855e-09%) linmin: converged after 6 iterations. iteration 902: trace = 2.485865197965164 (1.29854e-09% change) linmin: converged after 4 iterations. iteration 903: trace = 2.485865197929426 (1.43765e-09% change) linmin: converged after 5 iterations. iteration 904: trace = 2.485865197915947 (5.42226e-10% change) large trace change predicted (2.17089e-09%) linmin: converged after 3 iterations. iteration 905: trace = 2.485865197861982 (2.17087e-09% change) linmin: converged after 3 iterations. iteration 906: trace = 2.485865197821792 (1.61676e-09% change) linmin: converged after 4 iterations. iteration 907: trace = 2.485865197805183 (6.68135e-10% change) large trace change predicted (1.59801e-09%) linmin: converged after 2 iterations. iteration 908: trace = 2.485865197765459 (1.598e-09% change) linmin: converged after 6 iterations. iteration 909: trace = 2.485865197749646 (6.36086e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.485865197740856 (3.53611e-10% change) large trace change predicted (1.7187e-09%) linmin: converged after 10 iterations. iteration 911: trace = 2.485865197698129 (1.71879e-09% change) linmin: converged after 9 iterations. iteration 912: trace = 2.48586519768293 (6.11415e-10% change) large trace change predicted (1.2979e-09%) linmin: converged after 6 iterations. iteration 913: trace = 2.485865197650669 (1.29781e-09% change) linmin: converged after 6 iterations. iteration 914: trace = 2.485865197605567 (1.81433e-09% change) linmin: converged after 4 iterations. iteration 915: trace = 2.485865197587486 (7.27356e-10% change) linmin: converged after 6 iterations. iteration 916: trace = 2.485865197563741 (9.55201e-10% change) linmin: converged after 9 iterations. iteration 917: trace = 2.48586519753317 (1.22978e-09% change) linmin: converged after 12 iterations. iteration 918: trace = 2.485865197523846 (3.75102e-10% change) large trace change predicted (1.24119e-09%) linmin: converged after 3 iterations. iteration 919: trace = 2.485865197492994 (1.24109e-09% change) linmin: converged after 4 iterations. iteration 920: trace = 2.485865197465914 (1.08936e-09% change) linmin: converged after 13 iterations. iteration 921: trace = 2.48586519745559 (4.15316e-10% change) large trace change predicted (1.615e-09%) linmin: converged after 12 iterations. iteration 922: trace = 2.48586519741544 (1.6151e-09% change) linmin: converged after 8 iterations. iteration 923: trace = 2.485865197376865 (1.55181e-09% change) linmin: converged after 2 iterations. iteration 924: trace = 2.485865197352932 (9.62758e-10% change) linmin: converged after 3 iterations. iteration 925: trace = 2.485865197324163 (1.1573e-09% change) large trace change predicted (2.85902e-09%) linmin: converged after 4 iterations. iteration 926: trace = 2.48586519725309 (2.85906e-09% change) linmin: converged after 5 iterations. iteration 927: trace = 2.48586519721596 (1.49364e-09% change) linmin: converged after 2 iterations. iteration 928: trace = 2.485865197160825 (2.21798e-09% change) linmin: converged after 10 iterations. iteration 929: trace = 2.48586519711066 (2.01798e-09% change) linmin: converged after 10 iterations. iteration 930: trace = 2.485865197080857 (1.19893e-09% change) linmin: converged after 4 iterations. iteration 931: trace = 2.485865197051823 (1.16793e-09% change) linmin: converged after 6 iterations. iteration 932: trace = 2.485865197001735 (2.01491e-09% change) linmin: converged after 2 iterations. iteration 933: trace = 2.485865196989136 (5.06854e-10% change) large trace change predicted (1.47688e-09%) linmin: converged after 2 iterations. iteration 934: trace = 2.485865196952425 (1.47679e-09% change) linmin: converged after 4 iterations. iteration 935: trace = 2.485865196902827 (1.99517e-09% change) linmin: converged after 7 iterations. iteration 936: trace = 2.485865196851753 (2.05459e-09% change) linmin: converged after 8 iterations. iteration 937: trace = 2.48586519684065 (4.4665e-10% change) large trace change predicted (1.59611e-09%) linmin: converged after 5 iterations. iteration 938: trace = 2.485865196800973 (1.59611e-09% change) linmin: converged after 6 iterations. iteration 939: trace = 2.485865196776445 (9.86678e-10% change) linmin: converged after 4 iterations. iteration 940: trace = 2.485865196763301 (5.28756e-10% change) large trace change predicted (1.395e-09%) linmin: converged after 21 iterations. iteration 941: trace = 2.485865196728622 (1.39504e-09% change) linmin: converged after 5 iterations. iteration 942: trace = 2.485865196692836 (1.4396e-09% change) linmin: converged after 9 iterations. iteration 943: trace = 2.485865196678822 (5.63734e-10% change) large trace change predicted (1.92272e-09%) linmin: converged after 6 iterations. iteration 944: trace = 2.485865196631027 (1.92266e-09% change) linmin: converged after 3 iterations. iteration 945: trace = 2.48586519659087 (1.61544e-09% change) linmin: converged after 15 iterations. iteration 946: trace = 2.485865196573469 (7.00005e-10% change) linmin: converged after 5 iterations. iteration 947: trace = 2.485865196541856 (1.27171e-09% change) linmin: converged after 4 iterations. iteration 948: trace = 2.485865196492666 (1.97879e-09% change) linmin: converged after 5 iterations. iteration 949: trace = 2.485865196483128 (3.8366e-10% change) large trace change predicted (2.18476e-09%) linmin: converged after 15 iterations. iteration 950: trace = 2.485865196428817 (2.18482e-09% change) linmin: converged after 11 iterations. iteration 951: trace = 2.485865196387631 (1.65678e-09% change) linmin: converged after 19 iterations. iteration 952: trace = 2.485865196357544 (1.21036e-09% change) linmin: converged after 16 iterations. iteration 953: trace = 2.485865196334749 (9.16971e-10% change) large trace change predicted (2.17164e-09%) linmin: converged after 22 iterations. iteration 954: trace = 2.485865196280763 (2.17172e-09% change) linmin: converged after 13 iterations. iteration 955: trace = 2.485865196250781 (1.20607e-09% change) linmin: converged after 18 iterations. iteration 956: trace = 2.485865196239367 (4.59173e-10% change) large trace change predicted (1.57246e-09%) linmin: converged after 22 iterations. iteration 957: trace = 2.485865196200279 (1.5724e-09% change) linmin: converged after 15 iterations. iteration 958: trace = 2.485865196180975 (7.76537e-10% change) linmin: converged after 5 iterations. iteration 959: trace = 2.485865196166794 (5.70487e-10% change) large trace change predicted (1.32415e-09%) linmin: converged after 5 iterations. iteration 960: trace = 2.48586519613388 (1.32403e-09% change) linmin: converged after 10 iterations. iteration 961: trace = 2.485865196123907 (4.01203e-10% change) large trace change predicted (1.03782e-09%) linmin: converged after 9 iterations. iteration 962: trace = 2.485865196098107 (1.03786e-09% change) linmin: converged after 4 iterations. iteration 963: trace = 2.485865196065699 (1.3037e-09% change) linmin: converged after 4 iterations. iteration 964: trace = 2.485865196026463 (1.57834e-09% change) linmin: converged after 4 iterations. iteration 965: trace = 2.485865196003387 (9.28297e-10% change) linmin: converged after 10 iterations. iteration 966: trace = 2.485865195962528 (1.64367e-09% change) linmin: converged after 18 iterations. iteration 967: trace = 2.48586519593037 (1.29363e-09% change) linmin: converged after 16 iterations. iteration 968: trace = 2.485865195908953 (8.61537e-10% change) linmin: converged after 13 iterations. iteration 969: trace = 2.485865195894268 (5.90746e-10% change) large trace change predicted (1.52047e-09%) linmin: converged after 11 iterations. iteration 970: trace = 2.485865195856473 (1.5204e-09% change) linmin: converged after 11 iterations. iteration 971: trace = 2.485865195837264 (7.7275e-10% change) linmin: converged after 3 iterations. iteration 972: trace = 2.485865195826727 (4.23855e-10% change) large trace change predicted (1.22732e-09%) linmin: converged after 27 iterations. iteration 973: trace = 2.485865195796214 (1.22746e-09% change) linmin: converged after 10 iterations. iteration 974: trace = 2.485865195786945 (3.72869e-10% change) large trace change predicted (8.918e-10%) linmin: converged after 24 iterations. iteration 975: trace = 2.485865195764775 (8.91835e-10% change) linmin: converged after 9 iterations. iteration 976: trace = 2.485865195744029 (8.34561e-10% change) linmin: converged after 16 iterations. iteration 977: trace = 2.485865195735534 (3.41749e-10% change) large trace change predicted (1.63922e-09%) linmin: converged after 2 iterations. iteration 978: trace = 2.485865195694783 (1.63931e-09% change) large trace change predicted (8.61993e-09%) linmin: converged after 3 iterations. iteration 979: trace = 2.485865195480502 (8.62e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.485865195380866 (4.0081e-09% change) linmin: converged after 3 iterations. iteration 981: trace = 2.485865195310908 (2.81422e-09% change) linmin: converged after 4 iterations. iteration 982: trace = 2.485865195298332 (5.05889e-10% change) linmin: converged after 4 iterations. iteration 983: trace = 2.485865195284529 (5.55285e-10% change) linmin: converged after 6 iterations. iteration 984: trace = 2.485865195271472 (5.25218e-10% change) linmin: converged after 14 iterations. iteration 985: trace = 2.485865195264631 (2.75222e-10% change) linmin: converged after 6 iterations. iteration 986: trace = 2.485865195255348 (3.73405e-10% change) linmin: converged after 7 iterations. iteration 987: trace = 2.485865195237387 (7.22533e-10% change) linmin: converged after 3 iterations. iteration 988: trace = 2.485865195233441 (1.58727e-10% change) large trace change predicted (5.35532e-10%) linmin: converged after 15 iterations. iteration 989: trace = 2.485865195220129 (5.35526e-10% change) linmin: converged after 15 iterations. iteration 990: trace = 2.485865195207084 (5.24754e-10% change) linmin: converged after 10 iterations. iteration 991: trace = 2.485865195202752 (1.74269e-10% change) large trace change predicted (6.40452e-10%) linmin: converged after 15 iterations. iteration 992: trace = 2.485865195186831 (6.40463e-10% change) linmin: converged after 15 iterations. iteration 993: trace = 2.485865195173564 (5.33722e-10% change) linmin: converged after 6 iterations. iteration 994: trace = 2.485865195164523 (3.63687e-10% change) linmin: converged after 10 iterations. iteration 995: trace = 2.485865195155359 (3.68635e-10% change) linmin: converged after 22 iterations. iteration 996: trace = 2.485865195137432 (7.21139e-10% change) linmin: converged after 10 iterations. iteration 997: trace = 2.485865195133312 (1.65765e-10% change) large trace change predicted (5.98067e-10%) linmin: converged after 21 iterations. iteration 998: trace = 2.485865195118446 (5.97999e-10% change) linmin: converged after 12 iterations. iteration 999: trace = 2.485865195107226 (4.51348e-10% change) linmin: converged after 3 iterations. iteration 1000: trace = 2.485865195103003 (1.69892e-10% change) large trace change predicted (3.59476e-10%) linmin: converged after 16 iterations. iteration 1001: trace = 2.485865195094067 (3.59489e-10% change) linmin: converged after 3 iterations. iteration 1002: trace = 2.485865195084453 (3.86714e-10% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.485865195079111 (2.14911e-10% change) linmin: converged after 5 iterations. iteration 1004: trace = 2.485865195070572 (3.435e-10% change) linmin: converged after 4 iterations. iteration 1005: trace = 2.485865195059299 (4.53474e-10% change) linmin: converged after 4 iterations. iteration 1006: trace = 2.485865195048942 (4.16638e-10% change) linmin: converged after 9 iterations. iteration 1007: trace = 2.48586519504509 (1.54975e-10% change) large trace change predicted (5.72838e-10%) linmin: converged after 4 iterations. iteration 1008: trace = 2.485865195030848 (5.72899e-10% change) linmin: converged after 3 iterations. iteration 1009: trace = 2.485865195025054 (2.33097e-10% change) linmin: converged after 5 iterations. iteration 1010: trace = 2.485865195018233 (2.744e-10% change) linmin: converged after 8 iterations. iteration 1011: trace = 2.485865195008758 (3.81141e-10% change) linmin: converged after 4 iterations. iteration 1012: trace = 2.485865194997796 (4.40987e-10% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.485865194994954 (1.14333e-10% change) large trace change predicted (4.19174e-10%) linmin: converged after 7 iterations. iteration 1014: trace = 2.485865194984537 (4.19049e-10% change) linmin: converged after 6 iterations. iteration 1015: trace = 2.485865194977043 (3.01429e-10% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.485865194971785 (2.11534e-10% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.485865194964899 (2.77008e-10% change) linmin: converged after 4 iterations. iteration 1018: trace = 2.485865194956525 (3.36854e-10% change) linmin: converged after 6 iterations. iteration 1019: trace = 2.485865194954441 (8.38206e-11% change) Finished solving for bands 1 to 10 after 1019 iterations. tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894 elapsed time for k point: 8.567003726959229 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. iteration 1: trace = 2.624860657444398 (2.69642% change) linmin: converged after 4 iterations. iteration 2: trace = 2.610953324994328 (0.531239% change) linmin: converged after 4 iterations. iteration 3: trace = 2.601889621169397 (0.347745% change) linmin: converged after 4 iterations. iteration 4: trace = 2.600356646247478 (0.0589351% change) large trace change predicted (0.133101%) linmin: converged after 4 iterations. iteration 5: trace = 2.596948849867374 (0.131137% change) linmin: converged after 4 iterations. iteration 6: trace = 2.596372064805613 (0.0222126% change) linmin: converged after 3 iterations. iteration 7: trace = 2.595542927897237 (0.0319395% change) linmin: converged after 4 iterations. iteration 8: trace = 2.595152374510337 (0.0150482% change) linmin: converged after 4 iterations. iteration 9: trace = 2.594847404885622 (0.0117522% change) linmin: converged after 4 iterations. iteration 10: trace = 2.594454447741832 (0.0151449% change) linmin: converged after 4 iterations. iteration 11: trace = 2.594326308669367 (0.00493908% change) large trace change predicted (0.0216469%) linmin: converged after 4 iterations. iteration 12: trace = 2.593777335123011 (0.0211628% change) linmin: converged after 4 iterations. iteration 13: trace = 2.593512013071509 (0.0102297% change) linmin: converged after 4 iterations. iteration 14: trace = 2.593177865792837 (0.0128848% change) linmin: converged after 4 iterations. iteration 15: trace = 2.592759591436514 (0.0161311% change) linmin: converged after 4 iterations. iteration 16: trace = 2.592616495656834 (0.00551921% change) large trace change predicted (0.023475%) linmin: converged after 8 iterations. iteration 17: trace = 2.592031022028394 (0.0225849% change) linmin: converged after 4 iterations. iteration 18: trace = 2.59183881548556 (0.00741556% change) linmin: converged after 4 iterations. iteration 19: trace = 2.591510395488983 (0.0126721% change) linmin: converged after 5 iterations. iteration 20: trace = 2.591143472008585 (0.0141597% change) linmin: converged after 4 iterations. iteration 21: trace = 2.591058362290834 (0.00328469% change) large trace change predicted (0.0106647%) linmin: converged after 4 iterations. iteration 22: trace = 2.590787445825455 (0.0104564% change) linmin: converged after 4 iterations. iteration 23: trace = 2.590682179684191 (0.00406318% change) linmin: converged after 4 iterations. iteration 24: trace = 2.590536674665397 (0.00561663% change) linmin: converged after 4 iterations. iteration 25: trace = 2.590316049918632 (0.00851693% change) linmin: converged after 4 iterations. iteration 26: trace = 2.590262712828229 (0.00205912% change) large trace change predicted (0.00488962%) linmin: converged after 4 iterations. iteration 27: trace = 2.590136056658688 (0.00488982% change) linmin: converged after 3 iterations. iteration 28: trace = 2.590064081920008 (0.00277884% change) linmin: converged after 3 iterations. iteration 29: trace = 2.589966977982653 (0.00374916% change) linmin: converged after 3 iterations. iteration 30: trace = 2.589846952045266 (0.00463437% change) linmin: converged after 3 iterations. iteration 31: trace = 2.589779713799327 (0.00259626% change) linmin: converged after 3 iterations. iteration 32: trace = 2.589656148768881 (0.00477137% change) linmin: converged after 3 iterations. iteration 33: trace = 2.589592222492429 (0.00246855% change) large trace change predicted (0.00587392%) linmin: converged after 3 iterations. iteration 34: trace = 2.58943868885607 (0.00592905% change) linmin: converged after 3 iterations. iteration 35: trace = 2.589299359937044 (0.00538081% change) linmin: converged after 3 iterations. iteration 36: trace = 2.589151546670612 (0.00570878% change) linmin: converged after 4 iterations. iteration 37: trace = 2.588877287495618 (0.0105932% change) linmin: converged after 3 iterations. iteration 38: trace = 2.588758826838513 (0.00457586% change) large trace change predicted (0.0103829%) linmin: converged after 3 iterations. iteration 39: trace = 2.588487137598281 (0.0104955% change) linmin: converged after 3 iterations. iteration 40: trace = 2.588238477463922 (0.00960685% change) linmin: converged after 3 iterations. iteration 41: trace = 2.588129337514486 (0.00421685% change) large trace change predicted (0.00966144%) linmin: converged after 3 iterations. iteration 42: trace = 2.587877763590856 (0.00972077% change) linmin: converged after 3 iterations. iteration 43: trace = 2.587755089809354 (0.00474044% change) linmin: converged after 3 iterations. iteration 44: trace = 2.587559763088374 (0.0075484% change) linmin: converged after 3 iterations. iteration 45: trace = 2.587201412270447 (0.0138499% change) linmin: converged after 3 iterations. iteration 46: trace = 2.587078625716444 (0.00474603% change) large trace change predicted (0.0134465%) linmin: converged after 3 iterations. iteration 47: trace = 2.586730779580112 (0.0134464% change) linmin: converged after 3 iterations. iteration 48: trace = 2.586416677216178 (0.0121436% change) linmin: converged after 4 iterations. iteration 49: trace = 2.586172564541082 (0.0094387% change) linmin: converged after 4 iterations. iteration 50: trace = 2.585801897293217 (0.0143337% change) linmin: converged after 3 iterations. iteration 51: trace = 2.585704546876046 (0.00376488% change) large trace change predicted (0.00796064%) linmin: converged after 4 iterations. iteration 52: trace = 2.585499754810095 (0.00792048% change) linmin: converged after 4 iterations. iteration 53: trace = 2.585309102943152 (0.00737416% change) linmin: converged after 4 iterations. iteration 54: trace = 2.585225653328603 (0.00322789% change) large trace change predicted (0.00857994%) linmin: converged after 4 iterations. iteration 55: trace = 2.58500537722372 (0.00852094% change) linmin: converged after 4 iterations. iteration 56: trace = 2.584916458740381 (0.00343984% change) linmin: converged after 4 iterations. iteration 57: trace = 2.584748111302744 (0.0065129% change) linmin: converged after 4 iterations. iteration 58: trace = 2.584504284515206 (0.00943374% change) linmin: converged after 4 iterations. iteration 59: trace = 2.584418705703339 (0.00331128% change) large trace change predicted (0.00842828%) linmin: converged after 4 iterations. iteration 60: trace = 2.584201815731018 (0.00839257% change) linmin: converged after 4 iterations. iteration 61: trace = 2.584099141053601 (0.00397325% change) linmin: converged after 3 iterations. iteration 62: trace = 2.583934358439061 (0.00637699% change) linmin: converged after 4 iterations. iteration 63: trace = 2.583709117768531 (0.00871735% change) linmin: converged after 4 iterations. iteration 64: trace = 2.583615279669869 (0.00363198% change) large trace change predicted (0.00904956%) linmin: converged after 4 iterations. iteration 65: trace = 2.583383030980548 (0.00898969% change) linmin: converged after 4 iterations. iteration 66: trace = 2.583261867954656 (0.0046902% change) linmin: converged after 4 iterations. iteration 67: trace = 2.583112554586477 (0.0057802% change) linmin: converged after 4 iterations. iteration 68: trace = 2.582958454725462 (0.00596584% change) linmin: converged after 6 iterations. iteration 69: trace = 2.582869898246245 (0.00342855% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.582791283889869 (0.00304373% change) linmin: converged after 5 iterations. iteration 71: trace = 2.582689744209822 (0.00393147% change) linmin: converged after 3 iterations. iteration 72: trace = 2.582487344019194 (0.00783711% change) linmin: converged after 4 iterations. iteration 73: trace = 2.582430457572128 (0.0022028% change) large trace change predicted (0.00655094%) linmin: converged after 3 iterations. iteration 74: trace = 2.582260887881654 (0.0065665% change) linmin: converged after 3 iterations. iteration 75: trace = 2.582142980085108 (0.00456617% change) linmin: converged after 3 iterations. iteration 76: trace = 2.582089125320038 (0.00208568% change) linmin: converged after 3 iterations. iteration 77: trace = 2.58198944932938 (0.00386036% change) linmin: converged after 3 iterations. iteration 78: trace = 2.58194945116086 (0.00154913% change) linmin: converged after 3 iterations. iteration 79: trace = 2.581896477308379 (0.00205172% change) linmin: converged after 3 iterations. iteration 80: trace = 2.581814650966695 (0.00316928% change) linmin: converged after 4 iterations. iteration 81: trace = 2.581795133875173 (0.000755948% change) large trace change predicted (0.00246214%) linmin: converged after 3 iterations. iteration 82: trace = 2.581731398762597 (0.00246867% change) linmin: converged after 3 iterations. iteration 83: trace = 2.58167987346304 (0.00199579% change) linmin: converged after 3 iterations. iteration 84: trace = 2.581660431325718 (0.000753084% change) large trace change predicted (0.0022678%) linmin: converged after 3 iterations. iteration 85: trace = 2.581601750028335 (0.00227303% change) linmin: converged after 3 iterations. iteration 86: trace = 2.581512409884697 (0.00346071% change) linmin: converged after 3 iterations. iteration 87: trace = 2.581471275825583 (0.00159342% change) large trace change predicted (0.00460164%) linmin: converged after 3 iterations. iteration 88: trace = 2.581352182994358 (0.00461348% change) linmin: converged after 3 iterations. iteration 89: trace = 2.581296892688224 (0.00214194% change) linmin: converged after 3 iterations. iteration 90: trace = 2.581194672433724 (0.00396011% change) linmin: converged after 3 iterations. iteration 91: trace = 2.581064534121345 (0.00504191% change) linmin: converged after 4 iterations. iteration 92: trace = 2.58103879067474 (0.000997401% change) large trace change predicted (0.00403908%) linmin: converged after 16 iterations. iteration 93: trace = 2.580934670132716 (0.00403414% change) linmin: converged after 5 iterations. iteration 94: trace = 2.580892543647282 (0.00163223% change) linmin: converged after 4 iterations. iteration 95: trace = 2.580844807207762 (0.00184963% change) linmin: converged after 4 iterations. iteration 96: trace = 2.580750264376087 (0.00366332% change) linmin: converged after 3 iterations. iteration 97: trace = 2.580717916046825 (0.00125345% change) large trace change predicted (0.00303787%) linmin: converged after 6 iterations. iteration 98: trace = 2.58063969606942 (0.00303098% change) linmin: converged after 4 iterations. iteration 99: trace = 2.580586921966533 (0.00204502% change) linmin: converged after 4 iterations. iteration 100: trace = 2.580568719281255 (0.000705372% change) large trace change predicted (0.00145523%) linmin: converged after 4 iterations. iteration 101: trace = 2.580531234955007 (0.00145257% change) linmin: converged after 20 iterations. iteration 102: trace = 2.580515873601728 (0.00059528% change) linmin: converged after 4 iterations. iteration 103: trace = 2.580499665390553 (0.000628102% change) linmin: converged after 7 iterations. iteration 104: trace = 2.5804738941213 (0.000998698% change) linmin: converged after 3 iterations. iteration 105: trace = 2.580463088660485 (0.00041874% change) large trace change predicted (0.00115897%) linmin: converged after 4 iterations. iteration 106: trace = 2.580433222769202 (0.00115739% change) linmin: converged after 6 iterations. iteration 107: trace = 2.580404878630592 (0.00109843% change) linmin: converged after 3 iterations. iteration 108: trace = 2.580391255549352 (0.000527945% change) large trace change predicted (0.00162418%) linmin: converged after 5 iterations. iteration 109: trace = 2.580349416150665 (0.00162145% change) linmin: converged after 6 iterations. iteration 110: trace = 2.580298851149196 (0.00195964% change) linmin: converged after 4 iterations. iteration 111: trace = 2.580288563859734 (0.000398687% change) large trace change predicted (0.00143959%) linmin: converged after 5 iterations. iteration 112: trace = 2.580251458649525 (0.00143804% change) linmin: converged after 3 iterations. iteration 113: trace = 2.580236913294601 (0.00056372% change) linmin: converged after 4 iterations. iteration 114: trace = 2.58021013568223 (0.0010378% change) linmin: converged after 3 iterations. iteration 115: trace = 2.580157606216286 (0.00203588% change) linmin: converged after 4 iterations. iteration 116: trace = 2.580144732078875 (0.000498968% change) large trace change predicted (0.00229942%) linmin: converged after 3 iterations. iteration 117: trace = 2.580085343526398 (0.00230178% change) linmin: converged after 3 iterations. iteration 118: trace = 2.580043142878056 (0.00163564% change) linmin: converged after 3 iterations. iteration 119: trace = 2.580026198424646 (0.000656753% change) large trace change predicted (0.00241367%) linmin: converged after 3 iterations. iteration 120: trace = 2.579963831871476 (0.00241731% change) linmin: converged after 3 iterations. iteration 121: trace = 2.579916529139641 (0.00183348% change) linmin: converged after 3 iterations. iteration 122: trace = 2.579904068728688 (0.000482978% change) large trace change predicted (0.00145144%) linmin: converged after 3 iterations. iteration 123: trace = 2.579866580502305 (0.0014531% change) linmin: converged after 4 iterations. iteration 124: trace = 2.57984755203891 (0.000737578% change) linmin: converged after 3 iterations. iteration 125: trace = 2.57981631925165 (0.00121065% change) linmin: converged after 4 iterations. iteration 126: trace = 2.579774460755521 (0.00162255% change) linmin: converged after 3 iterations. iteration 127: trace = 2.579757160004375 (0.000670633% change) large trace change predicted (0.00192692%) linmin: converged after 3 iterations. iteration 128: trace = 2.579707451549806 (0.00192688% change) linmin: converged after 4 iterations. iteration 129: trace = 2.579655882173126 (0.00199906% change) linmin: converged after 5 iterations. iteration 130: trace = 2.579638097400106 (0.000689427% change) large trace change predicted (0.00175717%) linmin: converged after 4 iterations. iteration 131: trace = 2.579592848580715 (0.00175409% change) linmin: converged after 4 iterations. iteration 132: trace = 2.579574042794405 (0.000729024% change) linmin: converged after 3 iterations. iteration 133: trace = 2.579568060257632 (0.00023192% change) large trace change predicted (0.00172045%) linmin: converged after 3 iterations. iteration 134: trace = 2.579523651934156 (0.00172156% change) linmin: converged after 3 iterations. iteration 135: trace = 2.579512030876582 (0.000450513% change) linmin: converged after 3 iterations. iteration 136: trace = 2.579493212543738 (0.000729533% change) linmin: converged after 3 iterations. iteration 137: trace = 2.579467290316428 (0.00100494% change) linmin: converged after 4 iterations. iteration 138: trace = 2.57945943003668 (0.000304725% change) large trace change predicted (0.00115311%) linmin: converged after 4 iterations. iteration 139: trace = 2.57942970403997 (0.00115242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.57941531781194 (0.000557731% change) linmin: converged after 4 iterations. iteration 141: trace = 2.579409085611241 (0.000241613% change) large trace change predicted (0.000491984%) linmin: converged after 7 iterations. iteration 142: trace = 2.57939639909439 (0.000491839% change) linmin: converged after 8 iterations. iteration 143: trace = 2.579388279752569 (0.000314777% change) linmin: converged after 3 iterations. iteration 144: trace = 2.579378552243709 (0.000377125% change) linmin: converged after 6 iterations. iteration 145: trace = 2.579359280246058 (0.000747159% change) linmin: converged after 3 iterations. iteration 146: trace = 2.579354515401984 (0.00018473% change) large trace change predicted (0.000506411%) linmin: converged after 8 iterations. iteration 147: trace = 2.579341463515056 (0.000506015% change) linmin: converged after 3 iterations. iteration 148: trace = 2.579328541119657 (0.000500997% change) linmin: converged after 4 iterations. iteration 149: trace = 2.57932162514439 (0.000268131% change) large trace change predicted (0.000612082%) linmin: converged after 3 iterations. iteration 150: trace = 2.579305838842733 (0.000612035% change) linmin: converged after 4 iterations. iteration 151: trace = 2.579296842491273 (0.00034879% change) linmin: converged after 3 iterations. iteration 152: trace = 2.579281595299001 (0.000591139% change) linmin: converged after 3 iterations. iteration 153: trace = 2.579262706042798 (0.000732348% change) linmin: converged after 4 iterations. iteration 154: trace = 2.579256466669243 (0.000241906% change) linmin: converged after 3 iterations. iteration 155: trace = 2.579244843842047 (0.000450628% change) linmin: converged after 3 iterations. iteration 156: trace = 2.579229499928375 (0.000594901% change) linmin: converged after 3 iterations. iteration 157: trace = 2.579225833301723 (0.00014216% change) large trace change predicted (0.000598052%) linmin: converged after 3 iterations. iteration 158: trace = 2.579210415829566 (0.000597758% change) linmin: converged after 3 iterations. iteration 159: trace = 2.579202872192492 (0.000292479% change) linmin: converged after 4 iterations. iteration 160: trace = 2.579194300329114 (0.000332346% change) linmin: converged after 3 iterations. iteration 161: trace = 2.579183234090278 (0.000429059% change) linmin: converged after 4 iterations. iteration 162: trace = 2.579177076317421 (0.000238749% change) linmin: converged after 6 iterations. iteration 163: trace = 2.579166583113692 (0.000406844% change) linmin: converged after 4 iterations. iteration 164: trace = 2.579150734762379 (0.000614478% change) linmin: converged after 3 iterations. iteration 165: trace = 2.579146892212581 (0.000148985% change) linmin: converged after 4 iterations. iteration 166: trace = 2.57913979939759 (0.000275007% change) linmin: converged after 4 iterations. iteration 167: trace = 2.579132919663073 (0.000266746% change) linmin: converged after 3 iterations. iteration 168: trace = 2.579130516362208 (9.31826e-05% change) large trace change predicted (0.000322816%) linmin: converged after 4 iterations. iteration 169: trace = 2.579122187050981 (0.000322951% change) linmin: converged after 3 iterations. iteration 170: trace = 2.579118803416007 (0.000131193% change) linmin: converged after 5 iterations. iteration 171: trace = 2.579114488093516 (0.000167318% change) linmin: converged after 3 iterations. iteration 172: trace = 2.579109064924683 (0.000210273% change) linmin: converged after 3 iterations. iteration 173: trace = 2.579106377122808 (0.000104214% change) linmin: converged after 10 iterations. iteration 174: trace = 2.579102879185829 (0.000135626% change) linmin: converged after 3 iterations. iteration 175: trace = 2.579097659114828 (0.000202399% change) linmin: converged after 3 iterations. iteration 176: trace = 2.579096401364937 (4.87671e-05% change) large trace change predicted (0.000221842%) linmin: converged after 3 iterations. iteration 177: trace = 2.579090674800652 (0.000222038% change) linmin: converged after 5 iterations. iteration 178: trace = 2.57908711058793 (0.000138197% change) linmin: converged after 4 iterations. iteration 179: trace = 2.579085264975734 (7.15607e-05% change) large trace change predicted (0.0002399%) linmin: converged after 3 iterations. iteration 180: trace = 2.579079074886856 (0.000240011% change) linmin: converged after 4 iterations. iteration 181: trace = 2.579076160976077 (0.000112983% change) linmin: converged after 3 iterations. iteration 182: trace = 2.579070757367755 (0.000209517% change) linmin: converged after 5 iterations. iteration 183: trace = 2.579062133148039 (0.000334393% change) linmin: converged after 3 iterations. iteration 184: trace = 2.579059574506094 (9.92083e-05% change) large trace change predicted (0.000233903%) linmin: converged after 3 iterations. iteration 185: trace = 2.579053541116616 (0.000233938% change) linmin: converged after 3 iterations. iteration 186: trace = 2.579045849975904 (0.000298216% change) linmin: converged after 4 iterations. iteration 187: trace = 2.579042501920684 (0.000129818% change) large trace change predicted (0.000302901%) linmin: converged after 5 iterations. iteration 188: trace = 2.579034692894698 (0.000302788% change) linmin: converged after 6 iterations. iteration 189: trace = 2.57903160921061 (0.000119567% change) linmin: converged after 4 iterations. iteration 190: trace = 2.579028621117473 (0.000115861% change) linmin: converged after 4 iterations. iteration 191: trace = 2.579022655294933 (0.000231321% change) linmin: converged after 13 iterations. iteration 192: trace = 2.579020981637274 (6.48951e-05% change) large trace change predicted (0.000179232%) linmin: converged after 18 iterations. iteration 193: trace = 2.579016363199398 (0.000179077% change) linmin: converged after 4 iterations. iteration 194: trace = 2.579010486487007 (0.000227867% change) linmin: converged after 3 iterations. iteration 195: trace = 2.579008983950309 (5.82602e-05% change) large trace change predicted (0.000143654%) linmin: converged after 14 iterations. iteration 196: trace = 2.57900528157252 (0.000143558% change) linmin: converged after 4 iterations. iteration 197: trace = 2.579001661777413 (0.000140356% change) linmin: converged after 5 iterations. iteration 198: trace = 2.579000216716951 (5.60318e-05% change) large trace change predicted (0.000143719%) linmin: converged after 12 iterations. iteration 199: trace = 2.578996512510935 (0.00014363% change) linmin: converged after 8 iterations. iteration 200: trace = 2.578994965206936 (5.99964e-05% change) large trace change predicted (0.000123383%) linmin: converged after 4 iterations. iteration 201: trace = 2.578991784702916 (0.000123323% change) linmin: converged after 3 iterations. iteration 202: trace = 2.578988673799553 (0.000120625% change) linmin: converged after 4 iterations. iteration 203: trace = 2.578987041775699 (6.32816e-05% change) linmin: converged after 3 iterations. iteration 204: trace = 2.578984245324334 (0.000108432% change) linmin: converged after 4 iterations. iteration 205: trace = 2.578979948552923 (0.000166607% change) linmin: converged after 4 iterations. iteration 206: trace = 2.578978759476258 (4.61065e-05% change) large trace change predicted (0.000159393%) linmin: converged after 4 iterations. iteration 207: trace = 2.578974647851428 (0.000159429% change) linmin: converged after 3 iterations. iteration 208: trace = 2.578972419690169 (8.63972e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.578970571015978 (7.16826e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.57896902314753 (6.00189e-05% change) linmin: converged after 2 iterations. iteration 211: trace = 2.578967699428833 (5.13275e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.578965531619185 (8.40573e-05% change) linmin: converged after 9 iterations. iteration 213: trace = 2.578964903233052 (2.43658e-05% change) large trace change predicted (8.68719e-05%) linmin: converged after 3 iterations. iteration 214: trace = 2.578962661795469 (8.69123e-05% change) linmin: converged after 4 iterations. iteration 215: trace = 2.578960794964922 (7.23869e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.578959973956169 (3.18349e-05% change) large trace change predicted (7.41753e-05%) linmin: converged after 3 iterations. iteration 217: trace = 2.57895806063757 (7.41896e-05% change) linmin: converged after 5 iterations. iteration 218: trace = 2.578956698729991 (5.28085e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.578955032234949 (6.4619e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.578953249304644 (6.91339e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.578952763190909 (1.88493e-05% change) large trace change predicted (5.94239e-05%) linmin: converged after 5 iterations. iteration 222: trace = 2.578951230285838 (5.94391e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.5789495749286 (6.41872e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.578948997883961 (2.23752e-05% change) large trace change predicted (7.62976e-05%) linmin: converged after 4 iterations. iteration 225: trace = 2.578947029685699 (7.63179e-05% change) linmin: converged after 4 iterations. iteration 226: trace = 2.578944779675347 (8.72453e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.578944139618348 (2.48186e-05% change) large trace change predicted (0.000104966%) linmin: converged after 4 iterations. iteration 228: trace = 2.57894143165448 (0.000105003% change) linmin: converged after 3 iterations. iteration 229: trace = 2.578940084552484 (5.22347e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.578938669210328 (5.48808e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.578936271851268 (9.29592e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.578935689729847 (2.25722e-05% change) large trace change predicted (8.28239e-05%) linmin: converged after 2 iterations. iteration 233: trace = 2.578933553755356 (8.28239e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.578932277588847 (4.94843e-05% change) linmin: converged after 5 iterations. iteration 235: trace = 2.578931558308749 (2.78906e-05% change) large trace change predicted (6.9119e-05%) linmin: converged after 3 iterations. iteration 236: trace = 2.578929775938617 (6.91128e-05% change) linmin: converged after 7 iterations. iteration 237: trace = 2.578927681915258 (8.11974e-05% change) linmin: converged after 2 iterations. iteration 238: trace = 2.578927307360245 (1.45237e-05% change) large trace change predicted (7.6634e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.578925332207012 (7.65882e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.578924470717827 (3.3405e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.578923849846243 (2.40748e-05% change) large trace change predicted (4.95985e-05%) linmin: converged after 3 iterations. iteration 242: trace = 2.57892257127596 (4.95777e-05% change) linmin: converged after 7 iterations. iteration 243: trace = 2.578922283815265 (1.11465e-05% change) large trace change predicted (3.21426e-05%) linmin: converged after 5 iterations. iteration 244: trace = 2.578921455034727 (3.21367e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.578920602831324 (3.3045e-05% change) linmin: converged after 2 iterations. iteration 246: trace = 2.578920339575498 (1.0208e-05% change) large trace change predicted (3.17353e-05%) linmin: converged after 5 iterations. iteration 247: trace = 2.578919521243326 (3.17316e-05% change) linmin: converged after 3 iterations. iteration 248: trace = 2.578918601641423 (3.56584e-05% change) linmin: converged after 2 iterations. iteration 249: trace = 2.578918151881921 (1.74399e-05% change) large trace change predicted (5.12963e-05%) linmin: converged after 3 iterations. iteration 250: trace = 2.578916829132448 (5.12909e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.578916299272354 (2.05458e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.57891562054581 (2.63183e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.578914731096893 (3.44893e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.578913679451401 (4.07786e-05% change) linmin: converged after 4 iterations. iteration 255: trace = 2.578913266686216 (1.60054e-05% change) large trace change predicted (5.40277e-05%) linmin: converged after 3 iterations. iteration 256: trace = 2.578911873026465 (5.40406e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.578911480189724 (1.52327e-05% change) large trace change predicted (3.39854e-05%) linmin: converged after 3 iterations. iteration 258: trace = 2.578910603653624 (3.39886e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.578909348090638 (4.86858e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.578909011721332 (1.30431e-05% change) large trace change predicted (6.38916e-05%) linmin: converged after 4 iterations. iteration 261: trace = 2.578907363961063 (6.38937e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.578906388890173 (3.78095e-05% change) linmin: converged after 4 iterations. iteration 263: trace = 2.578905971315756 (1.61919e-05% change) large trace change predicted (3.76844e-05%) linmin: converged after 4 iterations. iteration 264: trace = 2.578904999335657 (3.76896e-05% change) linmin: converged after 3 iterations. iteration 265: trace = 2.578904108376322 (3.4548e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.578903851990263 (9.94167e-06% change) large trace change predicted (4.4242e-05%) linmin: converged after 5 iterations. iteration 267: trace = 2.578902711252484 (4.42334e-05% change) linmin: converged after 4 iterations. iteration 268: trace = 2.578902248812526 (1.79317e-05% change) linmin: converged after 4 iterations. iteration 269: trace = 2.578901705804483 (2.10558e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.578900843404065 (3.34406e-05% change) linmin: converged after 7 iterations. iteration 271: trace = 2.578900645666602 (7.66751e-06% change) large trace change predicted (2.45719e-05%) linmin: converged after 8 iterations. iteration 272: trace = 2.578900011973643 (2.45722e-05% change) linmin: converged after 4 iterations. iteration 273: trace = 2.578899334407352 (2.62735e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.578899123706742 (8.17018e-06% change) large trace change predicted (2.61149e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.578898450209252 (2.61157e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.578898213822447 (9.16619e-06% change) linmin: converged after 14 iterations. iteration 277: trace = 2.578897848535566 (1.41645e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.578897259488174 (2.28411e-05% change) linmin: converged after 4 iterations. iteration 279: trace = 2.578896697811086 (2.17797e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.578896241973919 (1.76757e-05% change) linmin: converged after 4 iterations. iteration 281: trace = 2.578895843061092 (1.54684e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.578895612515214 (8.93971e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.57889544199031 (6.61232e-06% change) large trace change predicted (1.71937e-05%) linmin: converged after 4 iterations. iteration 284: trace = 2.578894998612311 (1.71926e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.57889486052752 (5.35442e-06% change) large trace change predicted (1.5317e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.57889446553857 (1.53162e-05% change) linmin: converged after 3 iterations. iteration 287: trace = 2.578894068100964 (1.54112e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.578893959325635 (4.21791e-06% change) large trace change predicted (1.5865e-05%) linmin: converged after 3 iterations. iteration 289: trace = 2.578893550266271 (1.58618e-05% change) linmin: converged after 4 iterations. iteration 290: trace = 2.578893308053489 (9.39212e-06% change) linmin: converged after 3 iterations. iteration 291: trace = 2.578893087859599 (8.53831e-06% change) linmin: converged after 3 iterations. iteration 292: trace = 2.578892655646249 (1.67596e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.578892511129264 (5.60384e-06% change) large trace change predicted (1.17002e-05%) linmin: converged after 4 iterations. iteration 294: trace = 2.578892209452875 (1.16979e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.578891800121638 (1.58724e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.57889160628186 (7.5164e-06% change) linmin: converged after 5 iterations. iteration 297: trace = 2.578891228850099 (1.46354e-05% change) linmin: converged after 13 iterations. iteration 298: trace = 2.578890717163789 (1.98413e-05% change) linmin: converged after 2 iterations. iteration 299: trace = 2.578890539719477 (6.88065e-06% change) linmin: converged after 4 iterations. iteration 300: trace = 2.578890290483081 (9.66448e-06% change) linmin: converged after 3 iterations. iteration 301: trace = 2.578889961525526 (1.27558e-05% change) linmin: converged after 4 iterations. iteration 302: trace = 2.578889887795748 (2.85897e-06% change) large trace change predicted (1.27063e-05%) linmin: converged after 3 iterations. iteration 303: trace = 2.578889560151664 (1.27049e-05% change) linmin: converged after 3 iterations. iteration 304: trace = 2.578889337352475 (8.63935e-06% change) linmin: converged after 2 iterations. iteration 305: trace = 2.578889244576347 (3.59752e-06% change) large trace change predicted (9.01151e-06%) linmin: converged after 4 iterations. iteration 306: trace = 2.578889012208811 (9.01037e-06% change) linmin: converged after 2 iterations. iteration 307: trace = 2.578888788603815 (8.67059e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.578888709944779 (3.05011e-06% change) large trace change predicted (1.0041e-05%) linmin: converged after 3 iterations. iteration 309: trace = 2.578888450987346 (1.00414e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.578888326266121 (4.83624e-06% change) linmin: converged after 2 iterations. iteration 311: trace = 2.578888201279482 (4.84653e-06% change) linmin: converged after 3 iterations. iteration 312: trace = 2.578888028533574 (6.69846e-06% change) linmin: converged after 4 iterations. iteration 313: trace = 2.578887961707215 (2.59129e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.57888784886548 (4.3756e-06% change) linmin: converged after 4 iterations. iteration 315: trace = 2.578887685046229 (6.35232e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.578887643012387 (1.62992e-06% change) large trace change predicted (6.51603e-06%) linmin: converged after 5 iterations. iteration 317: trace = 2.578887474954171 (6.51669e-06% change) linmin: converged after 4 iterations. iteration 318: trace = 2.578887311670011 (6.33157e-06% change) linmin: converged after 10 iterations. iteration 319: trace = 2.57888724960782 (2.40655e-06% change) large trace change predicted (1.01267e-05%) linmin: converged after 3 iterations. iteration 320: trace = 2.578886988427016 (1.01277e-05% change) linmin: converged after 3 iterations. iteration 321: trace = 2.578886935954951 (2.03468e-06% change) large trace change predicted (7.67331e-06%) linmin: converged after 3 iterations. iteration 322: trace = 2.578886738058058 (7.67373e-06% change) linmin: converged after 2 iterations. iteration 323: trace = 2.578886588366594 (5.8045e-06% change) linmin: converged after 3 iterations. iteration 324: trace = 2.578886529103038 (2.29803e-06% change) large trace change predicted (6.21405e-06%) linmin: converged after 5 iterations. iteration 325: trace = 2.578886368852701 (6.21394e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.578886158990578 (8.1377e-06% change) linmin: converged after 3 iterations. iteration 327: trace = 2.578886035712026 (4.7803e-06% change) linmin: converged after 4 iterations. iteration 328: trace = 2.578885939372719 (3.73569e-06% change) linmin: converged after 4 iterations. iteration 329: trace = 2.578885788817776 (5.83798e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.578885732387192 (2.18818e-06% change) large trace change predicted (6.23893e-06%) linmin: converged after 4 iterations. iteration 331: trace = 2.578885571515369 (6.23804e-06% change) linmin: converged after 3 iterations. iteration 332: trace = 2.578885448289417 (4.77826e-06% change) linmin: converged after 5 iterations. iteration 333: trace = 2.578885392876492 (2.14872e-06% change) large trace change predicted (5.54789e-06%) linmin: converged after 11 iterations. iteration 334: trace = 2.578885249821361 (5.54717e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.578885206103884 (1.69521e-06% change) linmin: converged after 4 iterations. iteration 336: trace = 2.578885136710719 (2.69082e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.578885050046726 (3.36052e-06% change) linmin: converged after 5 iterations. iteration 338: trace = 2.578884959998245 (3.49176e-06% change) linmin: converged after 7 iterations. iteration 339: trace = 2.578884938076271 (8.50056e-07% change) large trace change predicted (4.49268e-06%) linmin: converged after 5 iterations. iteration 340: trace = 2.57888482222907 (4.49214e-06% change) linmin: converged after 3 iterations. iteration 341: trace = 2.578884771013445 (1.98596e-06% change) linmin: converged after 8 iterations. iteration 342: trace = 2.578884704013924 (2.598e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.578884608043694 (3.72139e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.578884568228974 (1.54387e-06% change) large trace change predicted (3.5061e-06%) linmin: converged after 3 iterations. iteration 345: trace = 2.578884477813926 (3.50598e-06% change) linmin: converged after 32 iterations. iteration 346: trace = 2.57888440816081 (2.7009e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.578884377325902 (1.19567e-06% change) large trace change predicted (2.95992e-06%) linmin: converged after 2 iterations. iteration 348: trace = 2.578884300992386 (2.95994e-06% change) linmin: converged after 4 iterations. iteration 349: trace = 2.578884199370362 (3.94054e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.578884116659355 (3.20724e-06% change) linmin: converged after 15 iterations. iteration 351: trace = 2.578884058645616 (2.24957e-06% change) linmin: converged after 2 iterations. iteration 352: trace = 2.578884036464944 (8.60088e-07% change) large trace change predicted (2.03024e-06%) linmin: converged after 17 iterations. iteration 353: trace = 2.578883984105725 (2.03031e-06% change) linmin: converged after 2 iterations. iteration 354: trace = 2.578883927608765 (2.19075e-06% change) linmin: converged after 5 iterations. iteration 355: trace = 2.57888390014904 (1.06479e-06% change) large trace change predicted (2.37462e-06%) linmin: converged after 3 iterations. iteration 356: trace = 2.578883838906447 (2.37477e-06% change) linmin: converged after 2 iterations. iteration 357: trace = 2.5788837970657 (1.62244e-06% change) linmin: converged after 30 iterations. iteration 358: trace = 2.57888376807427 (1.12419e-06% change) linmin: converged after 3 iterations. iteration 359: trace = 2.578883713670522 (2.10959e-06% change) linmin: converged after 3 iterations. iteration 360: trace = 2.578883701399795 (4.75815e-07% change) large trace change predicted (1.552e-06%) linmin: converged after 3 iterations. iteration 361: trace = 2.578883661374154 (1.55205e-06% change) linmin: converged after 2 iterations. iteration 362: trace = 2.578883615165985 (1.79179e-06% change) linmin: converged after 2 iterations. iteration 363: trace = 2.578883599986654 (5.88601e-07% change) large trace change predicted (1.47467e-06%) linmin: converged after 21 iterations. iteration 364: trace = 2.578883561955101 (1.47473e-06% change) linmin: converged after 3 iterations. iteration 365: trace = 2.578883499786162 (2.41069e-06% change) linmin: converged after 6 iterations. iteration 366: trace = 2.578883473259338 (1.02862e-06% change) large trace change predicted (2.16324e-06%) linmin: converged after 3 iterations. iteration 367: trace = 2.57888341746973 (2.16332e-06% change) linmin: converged after 12 iterations. iteration 368: trace = 2.578883362803683 (2.11976e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.578883331312625 (1.22111e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.578883278096646 (2.06353e-06% change) linmin: converged after 2 iterations. iteration 371: trace = 2.578883232301224 (1.77579e-06% change) linmin: converged after 4 iterations. iteration 372: trace = 2.578883193866086 (1.49038e-06% change) linmin: converged after 3 iterations. iteration 373: trace = 2.578883128458537 (2.53627e-06% change) linmin: converged after 6 iterations. iteration 374: trace = 2.578883113782989 (5.69066e-07% change) large trace change predicted (1.66165e-06%) linmin: converged after 5 iterations. iteration 375: trace = 2.578883070932626 (1.66159e-06% change) linmin: converged after 11 iterations. iteration 376: trace = 2.578883018716562 (2.02476e-06% change) linmin: converged after 6 iterations. iteration 377: trace = 2.578882970182465 (1.88198e-06% change) linmin: converged after 9 iterations. iteration 378: trace = 2.578882952350625 (6.91456e-07% change) large trace change predicted (2.05739e-06%) linmin: converged after 3 iterations. iteration 379: trace = 2.578882899296014 (2.05727e-06% change) linmin: converged after 10 iterations. iteration 380: trace = 2.578882881506566 (6.89812e-07% change) linmin: converged after 4 iterations. iteration 381: trace = 2.578882853475612 (1.08694e-06% change) linmin: converged after 27 iterations. iteration 382: trace = 2.578882815943033 (1.45538e-06% change) linmin: converged after 5 iterations. iteration 383: trace = 2.578882806889427 (3.51067e-07% change) large trace change predicted (1.06703e-06%) linmin: converged after 4 iterations. iteration 384: trace = 2.578882779372916 (1.06699e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.578882755527427 (9.24644e-07% change) linmin: converged after 3 iterations. iteration 386: trace = 2.578882744525212 (4.26627e-07% change) large trace change predicted (1.01891e-06%) linmin: converged after 3 iterations. iteration 387: trace = 2.578882718249225 (1.01889e-06% change) linmin: converged after 2 iterations. iteration 388: trace = 2.578882703063015 (5.88868e-07% change) linmin: converged after 4 iterations. iteration 389: trace = 2.578882679998177 (8.94373e-07% change) linmin: converged after 17 iterations. iteration 390: trace = 2.578882640629375 (1.52658e-06% change) linmin: converged after 4 iterations. iteration 391: trace = 2.578882633940746 (2.59362e-07% change) large trace change predicted (1.42673e-06%) linmin: converged after 4 iterations. iteration 392: trace = 2.578882597146995 (1.42673e-06% change) linmin: converged after 2 iterations. iteration 393: trace = 2.578882569518502 (1.07134e-06% change) linmin: converged after 3 iterations. iteration 394: trace = 2.578882553965367 (6.03096e-07% change) linmin: converged after 2 iterations. iteration 395: trace = 2.578882530776598 (8.99179e-07% change) linmin: converged after 5 iterations. iteration 396: trace = 2.578882500050447 (1.19145e-06% change) linmin: converged after 6 iterations. iteration 397: trace = 2.578882489042851 (4.26836e-07% change) large trace change predicted (1.115e-06%) linmin: converged after 3 iterations. iteration 398: trace = 2.578882460288019 (1.11501e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.578882432897072 (1.06212e-06% change) linmin: converged after 4 iterations. iteration 400: trace = 2.578882421877958 (4.27283e-07% change) large trace change predicted (1.64314e-06%) linmin: converged after 2 iterations. iteration 401: trace = 2.578882379502339 (1.64318e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.578882367864802 (4.51263e-07% change) large trace change predicted (1.12085e-06%) linmin: converged after 8 iterations. iteration 403: trace = 2.578882338957688 (1.12092e-06% change) linmin: converged after 5 iterations. iteration 404: trace = 2.578882310266573 (1.11254e-06% change) linmin: converged after 2 iterations. iteration 405: trace = 2.578882300352086 (3.84449e-07% change) linmin: converged after 2 iterations. iteration 406: trace = 2.578882283079114 (6.69785e-07% change) linmin: converged after 3 iterations. iteration 407: trace = 2.578882259177726 (9.26812e-07% change) linmin: converged after 5 iterations. iteration 408: trace = 2.578882247956715 (4.35111e-07% change) linmin: converged after 3 iterations. iteration 409: trace = 2.57888223444814 (5.23815e-07% change) linmin: converged after 3 iterations. iteration 410: trace = 2.578882212189181 (8.63124e-07% change) linmin: converged after 12 iterations. iteration 411: trace = 2.578882206515553 (2.20003e-07% change) large trace change predicted (6.59205e-07%) linmin: converged after 2 iterations. iteration 412: trace = 2.578882189515412 (6.59206e-07% change) linmin: converged after 16 iterations. iteration 413: trace = 2.578882167133094 (8.67908e-07% change) linmin: converged after 20 iterations. iteration 414: trace = 2.578882162543898 (1.77953e-07% change) large trace change predicted (7.20905e-07%) linmin: converged after 13 iterations. iteration 415: trace = 2.578882143952733 (7.209e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.578882138199545 (2.23088e-07% change) linmin: converged after 2 iterations. iteration 417: trace = 2.578882128500576 (3.76092e-07% change) linmin: converged after 2 iterations. iteration 418: trace = 2.578882115845795 (4.90708e-07% change) linmin: converged after 20 iterations. iteration 419: trace = 2.57888211063133 (2.02199e-07% change) resetting CG direction... linmin: converged after 16 iterations. iteration 420: trace = 2.578882105624677 (1.9414e-07% change) large trace change predicted (4.22431e-07%) linmin: converged after 3 iterations. iteration 421: trace = 2.578882094730754 (4.22428e-07% change) linmin: converged after 3 iterations. iteration 422: trace = 2.57888208676304 (3.0896e-07% change) linmin: converged after 9 iterations. iteration 423: trace = 2.578882082194057 (1.77169e-07% change) large trace change predicted (5.53253e-07%) linmin: converged after 3 iterations. iteration 424: trace = 2.578882067926347 (5.53252e-07% change) linmin: converged after 6 iterations. iteration 425: trace = 2.57888206455133 (1.30871e-07% change) large trace change predicted (5.55757e-07%) linmin: converged after 4 iterations. iteration 426: trace = 2.578882050219244 (5.55748e-07% change) linmin: converged after 22 iterations. iteration 427: trace = 2.578882039301253 (4.23361e-07% change) linmin: converged after 29 iterations. iteration 428: trace = 2.578882035916876 (1.31234e-07% change) large trace change predicted (4.92629e-07%) linmin: converged after 16 iterations. iteration 429: trace = 2.578882023212756 (4.92621e-07% change) linmin: converged after 2 iterations. iteration 430: trace = 2.578882016030413 (2.78506e-07% change) linmin: converged after 4 iterations. iteration 431: trace = 2.57888201061992 (2.098e-07% change) large trace change predicted (4.41943e-07%) linmin: converged after 5 iterations. iteration 432: trace = 2.578881999222959 (4.41934e-07% change) linmin: converged after 9 iterations. iteration 433: trace = 2.578881990164549 (3.51253e-07% change) linmin: converged after 3 iterations. iteration 434: trace = 2.578881985954999 (1.63232e-07% change) large trace change predicted (4.93198e-07%) linmin: converged after 5 iterations. iteration 435: trace = 2.578881973236215 (4.9319e-07% change) linmin: converged after 20 iterations. iteration 436: trace = 2.578881962807785 (4.04378e-07% change) linmin: converged after 4 iterations. iteration 437: trace = 2.578881957293434 (2.13827e-07% change) large trace change predicted (5.69584e-07%) linmin: converged after 20 iterations. iteration 438: trace = 2.57888194260472 (5.69577e-07% change) linmin: converged after 3 iterations. iteration 439: trace = 2.578881938537754 (1.57703e-07% change) large trace change predicted (3.27811e-07%) linmin: converged after 8 iterations. iteration 440: trace = 2.578881930083957 (3.27809e-07% change) linmin: converged after 10 iterations. iteration 441: trace = 2.578881920162149 (3.84733e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.578881912464808 (2.98476e-07% change) linmin: converged after 11 iterations. iteration 443: trace = 2.578881908075124 (1.70217e-07% change) linmin: converged after 4 iterations. iteration 444: trace = 2.578881900367723 (2.98866e-07% change) linmin: converged after 3 iterations. iteration 445: trace = 2.57888189572206 (1.80143e-07% change) linmin: converged after 3 iterations. iteration 446: trace = 2.578881890744253 (1.93022e-07% change) linmin: converged after 2 iterations. iteration 447: trace = 2.578881881909399 (3.42585e-07% change) linmin: converged after 4 iterations. iteration 448: trace = 2.578881880018332 (7.33289e-08% change) large trace change predicted (2.81432e-07%) linmin: converged after 3 iterations. iteration 449: trace = 2.578881872760469 (2.81434e-07% change) linmin: converged after 2 iterations. iteration 450: trace = 2.57888186673831 (2.33518e-07% change) linmin: converged after 4 iterations. iteration 451: trace = 2.5788818639563 (1.07877e-07% change) linmin: converged after 4 iterations. iteration 452: trace = 2.578881859993886 (1.53649e-07% change) linmin: converged after 9 iterations. iteration 453: trace = 2.578881854783525 (2.0204e-07% change) linmin: converged after 4 iterations. iteration 454: trace = 2.578881853007518 (6.88673e-08% change) large trace change predicted (1.52945e-07%) linmin: converged after 4 iterations. iteration 455: trace = 2.578881849063212 (1.52946e-07% change) linmin: converged after 16 iterations. iteration 456: trace = 2.578881843086535 (2.31755e-07% change) linmin: converged after 7 iterations. iteration 457: trace = 2.57888183978997 (1.27829e-07% change) linmin: converged after 7 iterations. iteration 458: trace = 2.578881835958173 (1.48584e-07% change) linmin: converged after 3 iterations. iteration 459: trace = 2.578881828467651 (2.90456e-07% change) linmin: converged after 3 iterations. iteration 460: trace = 2.578881827035234 (5.55441e-08% change) large trace change predicted (2.62877e-07%) linmin: converged after 4 iterations. iteration 461: trace = 2.578881820255876 (2.6288e-07% change) linmin: converged after 3 iterations. iteration 462: trace = 2.578881817775461 (9.61818e-08% change) linmin: converged after 3 iterations. iteration 463: trace = 2.578881814346596 (1.32959e-07% change) linmin: converged after 4 iterations. iteration 464: trace = 2.578881808577203 (2.23717e-07% change) linmin: converged after 12 iterations. iteration 465: trace = 2.578881805941811 (1.02191e-07% change) linmin: converged after 4 iterations. iteration 466: trace = 2.578881801060249 (1.8929e-07% change) linmin: converged after 5 iterations. iteration 467: trace = 2.578881795843017 (2.02306e-07% change) linmin: converged after 7 iterations. iteration 468: trace = 2.578881794179496 (6.45055e-08% change) large trace change predicted (1.59521e-07%) linmin: converged after 4 iterations. iteration 469: trace = 2.57888179006568 (1.59519e-07% change) linmin: converged after 4 iterations. iteration 470: trace = 2.578881784015823 (2.34592e-07% change) linmin: converged after 5 iterations. iteration 471: trace = 2.578881781443343 (9.97518e-08% change) linmin: converged after 9 iterations. iteration 472: trace = 2.578881778556654 (1.11936e-07% change) linmin: converged after 3 iterations. iteration 473: trace = 2.578881774866784 (1.4308e-07% change) linmin: converged after 5 iterations. iteration 474: trace = 2.578881773660004 (4.67947e-08% change) linmin: converged after 13 iterations. iteration 475: trace = 2.578881771567481 (8.11407e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.578881768884465 (1.04038e-07% change) linmin: converged after 14 iterations. iteration 477: trace = 2.578881768221123 (2.57221e-08% change) large trace change predicted (9.21641e-08%) linmin: converged after 14 iterations. iteration 478: trace = 2.578881765844351 (9.21629e-08% change) linmin: converged after 5 iterations. iteration 479: trace = 2.578881763287353 (9.91514e-08% change) linmin: converged after 6 iterations. iteration 480: trace = 2.578881762435282 (3.30404e-08% change) large trace change predicted (1.04227e-07%) linmin: converged after 4 iterations. iteration 481: trace = 2.578881759747437 (1.04225e-07% change) linmin: converged after 7 iterations. iteration 482: trace = 2.578881756528326 (1.24826e-07% change) linmin: converged after 4 iterations. iteration 483: trace = 2.578881755828173 (2.71495e-08% change) large trace change predicted (1.25791e-07%) linmin: converged after 4 iterations. iteration 484: trace = 2.578881752584197 (1.2579e-07% change) linmin: converged after 2 iterations. iteration 485: trace = 2.578881750817801 (6.84947e-08% change) linmin: converged after 3 iterations. iteration 486: trace = 2.578881749817505 (3.8788e-08% change) large trace change predicted (1.0013e-07%) linmin: converged after 3 iterations. iteration 487: trace = 2.578881747235278 (1.0013e-07% change) large trace change predicted (2.43235e-07%) linmin: converged after 6 iterations. iteration 488: trace = 2.57888174096231 (2.43244e-07% change) large trace change predicted (6.32619e-07%) linmin: converged after 5 iterations. iteration 489: trace = 2.578881724647273 (6.3264e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.578881718426556 (2.41218e-07% change) linmin: converged after 4 iterations. iteration 491: trace = 2.578881716780178 (6.38408e-08% change) linmin: converged after 7 iterations. iteration 492: trace = 2.578881714248487 (9.81701e-08% change) linmin: converged after 5 iterations. iteration 493: trace = 2.578881712980371 (4.91731e-08% change) linmin: converged after 7 iterations. iteration 494: trace = 2.578881712148531 (3.22558e-08% change) linmin: converged after 7 iterations. iteration 495: trace = 2.578881710508369 (6.35997e-08% change) linmin: converged after 5 iterations. iteration 496: trace = 2.578881710055911 (1.75447e-08% change) linmin: converged after 4 iterations. iteration 497: trace = 2.578881709201378 (3.31358e-08% change) linmin: converged after 5 iterations. iteration 498: trace = 2.578881708396628 (3.12054e-08% change) linmin: converged after 5 iterations. iteration 499: trace = 2.578881708040746 (1.37999e-08% change) large trace change predicted (4.78392e-08%) linmin: converged after 4 iterations. iteration 500: trace = 2.578881706807022 (4.78395e-08% change) linmin: converged after 6 iterations. iteration 501: trace = 2.578881705319007 (5.77e-08% change) linmin: converged after 10 iterations. iteration 502: trace = 2.578881704844703 (1.83918e-08% change) large trace change predicted (4.39255e-08%) linmin: converged after 15 iterations. iteration 503: trace = 2.578881703711909 (4.39258e-08% change) linmin: converged after 8 iterations. iteration 504: trace = 2.578881702842232 (3.3723e-08% change) linmin: converged after 4 iterations. iteration 505: trace = 2.578881702605541 (9.17805e-09% change) large trace change predicted (5.31418e-08%) linmin: converged after 4 iterations. iteration 506: trace = 2.578881701235065 (5.31423e-08% change) linmin: converged after 4 iterations. iteration 507: trace = 2.578881699599157 (6.34348e-08% change) linmin: converged after 4 iterations. iteration 508: trace = 2.578881698862904 (2.85493e-08% change) large trace change predicted (6.56085e-08%) linmin: converged after 4 iterations. iteration 509: trace = 2.578881697170931 (6.56088e-08% change) linmin: converged after 24 iterations. iteration 510: trace = 2.57888169666101 (1.9773e-08% change) linmin: converged after 3 iterations. iteration 511: trace = 2.578881695920174 (2.8727e-08% change) linmin: converged after 2 iterations. iteration 512: trace = 2.578881694668283 (4.85439e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.578881693905658 (2.95719e-08% change) linmin: converged after 12 iterations. iteration 514: trace = 2.578881693429598 (1.84599e-08% change) linmin: converged after 5 iterations. iteration 515: trace = 2.578881692567755 (3.34193e-08% change) linmin: converged after 4 iterations. iteration 516: trace = 2.578881692083071 (1.87943e-08% change) linmin: converged after 4 iterations. iteration 517: trace = 2.578881691498053 (2.26849e-08% change) linmin: converged after 6 iterations. iteration 518: trace = 2.578881690786688 (2.75843e-08% change) linmin: converged after 7 iterations. iteration 519: trace = 2.578881690544526 (9.39019e-09% change) large trace change predicted (3.33005e-08%) linmin: converged after 9 iterations. iteration 520: trace = 2.578881689685758 (3.33e-08% change) linmin: converged after 4 iterations. iteration 521: trace = 2.578881688906706 (3.02089e-08% change) linmin: converged after 7 iterations. iteration 522: trace = 2.578881688428924 (1.85267e-08% change) linmin: converged after 8 iterations. iteration 523: trace = 2.578881688124509 (1.18041e-08% change) large trace change predicted (3.26334e-08%) linmin: converged after 6 iterations. iteration 524: trace = 2.578881687282942 (3.2633e-08% change) linmin: converged after 3 iterations. iteration 525: trace = 2.578881687040559 (9.39876e-09% change) large trace change predicted (1.94505e-08%) linmin: converged after 8 iterations. iteration 526: trace = 2.578881686538957 (1.94504e-08% change) linmin: converged after 28 iterations. iteration 527: trace = 2.578881685941983 (2.31485e-08% change) linmin: converged after 7 iterations. iteration 528: trace = 2.578881685700483 (9.36451e-09% change) large trace change predicted (3.7376e-08%) linmin: converged after 7 iterations. iteration 529: trace = 2.578881684736602 (3.7376e-08% change) linmin: converged after 4 iterations. iteration 530: trace = 2.578881683860251 (3.39818e-08% change) linmin: converged after 6 iterations. iteration 531: trace = 2.578881683598155 (1.01632e-08% change) large trace change predicted (2.16464e-08%) linmin: converged after 5 iterations. iteration 532: trace = 2.578881683039921 (2.16463e-08% change) linmin: converged after 4 iterations. iteration 533: trace = 2.578881682597069 (1.71723e-08% change) linmin: converged after 23 iterations. iteration 534: trace = 2.578881682325931 (1.05138e-08% change) large trace change predicted (3.5112e-08%) linmin: converged after 3 iterations. iteration 535: trace = 2.578881681420434 (3.5112e-08% change) linmin: converged after 19 iterations. iteration 536: trace = 2.578881680759065 (2.56456e-08% change) linmin: converged after 26 iterations. iteration 537: trace = 2.578881680517772 (9.35651e-09% change) large trace change predicted (2.50835e-08%) linmin: converged after 4 iterations. iteration 538: trace = 2.5788816798709 (2.50834e-08% change) linmin: converged after 5 iterations. iteration 539: trace = 2.578881679263183 (2.35651e-08% change) linmin: converged after 4 iterations. iteration 540: trace = 2.578881679054399 (8.09592e-09% change) large trace change predicted (2.08287e-08%) linmin: converged after 7 iterations. iteration 541: trace = 2.578881678517249 (2.08288e-08% change) linmin: converged after 5 iterations. iteration 542: trace = 2.578881678158877 (1.38964e-08% change) linmin: converged after 11 iterations. iteration 543: trace = 2.578881677940108 (8.4831e-09% change) linmin: converged after 7 iterations. iteration 544: trace = 2.578881677524349 (1.61217e-08% change) linmin: converged after 6 iterations. iteration 545: trace = 2.578881677206355 (1.23307e-08% change) linmin: converged after 4 iterations. iteration 546: trace = 2.578881676968276 (9.23187e-09% change) large trace change predicted (1.86965e-08%) linmin: converged after 4 iterations. iteration 547: trace = 2.578881676486112 (1.86966e-08% change) linmin: converged after 4 iterations. iteration 548: trace = 2.578881676296866 (7.3383e-09% change) linmin: converged after 13 iterations. iteration 549: trace = 2.578881676070456 (8.77942e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.578881675728816 (1.32476e-08% change) linmin: converged after 3 iterations. iteration 551: trace = 2.578881675497678 (8.96271e-09% change) linmin: converged after 3 iterations. iteration 552: trace = 2.578881675242907 (9.87914e-09% change) linmin: converged after 6 iterations. iteration 553: trace = 2.57888167487022 (1.44515e-08% change) linmin: converged after 19 iterations. iteration 554: trace = 2.578881674776116 (3.64902e-09% change) large trace change predicted (8.65085e-09%) linmin: converged after 21 iterations. iteration 555: trace = 2.578881674553021 (8.65086e-09% change) linmin: converged after 11 iterations. iteration 556: trace = 2.57888167437303 (6.97939e-09% change) linmin: converged after 4 iterations. iteration 557: trace = 2.578881674323784 (1.90959e-09% change) large trace change predicted (1.07489e-08%) linmin: converged after 4 iterations. iteration 558: trace = 2.578881674046585 (1.07488e-08% change) linmin: converged after 4 iterations. iteration 559: trace = 2.578881673624115 (1.63819e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.578881673512144 (4.34184e-09% change) linmin: converged after 4 iterations. iteration 561: trace = 2.578881673295886 (8.38573e-09% change) linmin: converged after 7 iterations. iteration 562: trace = 2.578881673157047 (5.3837e-09% change) linmin: converged after 7 iterations. iteration 563: trace = 2.578881673066309 (3.51849e-09% change) linmin: converged after 5 iterations. iteration 564: trace = 2.578881672932382 (5.19322e-09% change) linmin: converged after 19 iterations. iteration 565: trace = 2.578881672734481 (7.67392e-09% change) linmin: converged after 6 iterations. iteration 566: trace = 2.578881672675247 (2.29689e-09% change) large trace change predicted (7.54241e-09%) linmin: converged after 20 iterations. iteration 567: trace = 2.578881672480739 (7.54234e-09% change) linmin: converged after 4 iterations. iteration 568: trace = 2.578881672331461 (5.78846e-09% change) linmin: converged after 5 iterations. iteration 569: trace = 2.578881672236288 (3.69047e-09% change) large trace change predicted (9.53334e-09%) linmin: converged after 4 iterations. iteration 570: trace = 2.578881671990434 (9.53337e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.578881671914584 (2.94118e-09% change) large trace change predicted (7.29543e-09%) linmin: converged after 12 iterations. iteration 572: trace = 2.578881671726443 (7.29547e-09% change) linmin: converged after 21 iterations. iteration 573: trace = 2.578881671543017 (7.11262e-09% change) linmin: converged after 3 iterations. iteration 574: trace = 2.578881671473154 (2.70905e-09% change) large trace change predicted (6.57549e-09%) linmin: converged after 12 iterations. iteration 575: trace = 2.57888167130358 (6.57547e-09% change) linmin: converged after 7 iterations. iteration 576: trace = 2.578881671088701 (8.33226e-09% change) linmin: converged after 5 iterations. iteration 577: trace = 2.578881671032781 (2.16837e-09% change) large trace change predicted (1.09121e-08%) linmin: converged after 4 iterations. iteration 578: trace = 2.578881670751375 (1.09119e-08% change) linmin: converged after 12 iterations. iteration 579: trace = 2.578881670591658 (6.19327e-09% change) linmin: converged after 4 iterations. iteration 580: trace = 2.578881670513216 (3.04169e-09% change) large trace change predicted (1.04119e-08%) linmin: converged after 20 iterations. iteration 581: trace = 2.578881670244702 (1.0412e-08% change) linmin: converged after 4 iterations. iteration 582: trace = 2.578881670042271 (7.84955e-09% change) linmin: converged after 6 iterations. iteration 583: trace = 2.578881669975914 (2.57311e-09% change) large trace change predicted (7.51575e-09%) linmin: converged after 4 iterations. iteration 584: trace = 2.578881669782093 (7.5157e-09% change) linmin: converged after 3 iterations. iteration 585: trace = 2.578881669703646 (3.0419e-09% change) linmin: converged after 3 iterations. iteration 586: trace = 2.578881669557983 (5.6483e-09% change) linmin: converged after 22 iterations. iteration 587: trace = 2.578881669411186 (5.69227e-09% change) linmin: converged after 7 iterations. iteration 588: trace = 2.578881669317883 (3.61797e-09% change) linmin: converged after 4 iterations. iteration 589: trace = 2.578881669236906 (3.14e-09% change) large trace change predicted (6.96832e-09%) linmin: converged after 20 iterations. iteration 590: trace = 2.5788816690572 (6.96837e-09% change) linmin: converged after 24 iterations. iteration 591: trace = 2.57888166890418 (5.93359e-09% change) linmin: converged after 18 iterations. iteration 592: trace = 2.578881668853529 (1.96404e-09% change) large trace change predicted (5.39672e-09%) linmin: converged after 11 iterations. iteration 593: trace = 2.578881668714356 (5.39665e-09% change) linmin: converged after 4 iterations. iteration 594: trace = 2.578881668589363 (4.84682e-09% change) linmin: converged after 5 iterations. iteration 595: trace = 2.578881668560112 (1.13424e-09% change) large trace change predicted (3.13085e-09%) linmin: converged after 7 iterations. iteration 596: trace = 2.578881668479373 (3.13076e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.578881668368087 (4.3153e-09% change) linmin: converged after 12 iterations. iteration 598: trace = 2.578881668327885 (1.5589e-09% change) large trace change predicted (5.339e-09%) linmin: converged after 5 iterations. iteration 599: trace = 2.578881668190197 (5.33904e-09% change) linmin: converged after 15 iterations. iteration 600: trace = 2.578881668069743 (4.67078e-09% change) linmin: converged after 24 iterations. iteration 601: trace = 2.578881668035215 (1.33889e-09% change) large trace change predicted (3.15479e-09%) linmin: converged after 12 iterations. iteration 602: trace = 2.578881667953855 (3.15485e-09% change) linmin: converged after 21 iterations. iteration 603: trace = 2.578881667910796 (1.66967e-09% change) linmin: converged after 24 iterations. iteration 604: trace = 2.578881667856274 (2.11418e-09% change) linmin: converged after 3 iterations. iteration 605: trace = 2.578881667765254 (3.52944e-09% change) linmin: converged after 19 iterations. iteration 606: trace = 2.578881667737539 (1.0747e-09% change) large trace change predicted (3.07161e-09%) linmin: converged after 2 iterations. iteration 607: trace = 2.578881667658322 (3.07173e-09% change) linmin: converged after 7 iterations. iteration 608: trace = 2.578881667584383 (2.86712e-09% change) linmin: converged after 4 iterations. iteration 609: trace = 2.578881667557337 (1.04875e-09% change) large trace change predicted (3.28848e-09%) linmin: converged after 27 iterations. iteration 610: trace = 2.57888166747253 (3.28853e-09% change) linmin: converged after 24 iterations. iteration 611: trace = 2.57888166736174 (4.29605e-09% change) linmin: converged after 10 iterations. iteration 612: trace = 2.578881667282033 (3.09075e-09% change) linmin: converged after 23 iterations. iteration 613: trace = 2.578881667222985 (2.28965e-09% change) linmin: converged after 4 iterations. iteration 614: trace = 2.578881667151451 (2.77383e-09% change) linmin: converged after 9 iterations. iteration 615: trace = 2.578881667116891 (1.34013e-09% change) linmin: converged after 19 iterations. iteration 616: trace = 2.578881667068707 (1.86839e-09% change) linmin: converged after 24 iterations. iteration 617: trace = 2.578881666997116 (2.77607e-09% change) linmin: converged after 4 iterations. iteration 618: trace = 2.578881666943873 (2.06455e-09% change) linmin: converged after 4 iterations. iteration 619: trace = 2.578881666924302 (7.58895e-10% change) large trace change predicted (2.04941e-09%) linmin: converged after 6 iterations. iteration 620: trace = 2.578881666871453 (2.04933e-09% change) linmin: converged after 8 iterations. iteration 621: trace = 2.578881666829185 (1.63899e-09% change) linmin: converged after 6 iterations. iteration 622: trace = 2.578881666776131 (2.05725e-09% change) linmin: converged after 5 iterations. iteration 623: trace = 2.578881666709835 (2.57074e-09% change) linmin: converged after 7 iterations. iteration 624: trace = 2.578881666694345 (6.00641e-10% change) large trace change predicted (1.31907e-09%) linmin: converged after 15 iterations. iteration 625: trace = 2.578881666660327 (1.3191e-09% change) linmin: converged after 16 iterations. iteration 626: trace = 2.578881666625079 (1.3668e-09% change) linmin: converged after 4 iterations. iteration 627: trace = 2.578881666610428 (5.68112e-10% change) large trace change predicted (3.02454e-09%) linmin: converged after 3 iterations. iteration 628: trace = 2.578881666532428 (3.02456e-09% change) linmin: converged after 6 iterations. iteration 629: trace = 2.578881666402975 (5.01973e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 630: trace = 2.578881666365661 (1.44689e-09% change) linmin: converged after 14 iterations. iteration 631: trace = 2.578881666308834 (2.20355e-09% change) linmin: converged after 4 iterations. iteration 632: trace = 2.578881666271098 (1.46327e-09% change) linmin: converged after 3 iterations. iteration 633: trace = 2.578881666261256 (3.81652e-10% change) large trace change predicted (1.10518e-09%) linmin: converged after 4 iterations. iteration 634: trace = 2.578881666232756 (1.10514e-09% change) linmin: converged after 5 iterations. iteration 635: trace = 2.578881666211092 (8.40037e-10% change) linmin: converged after 8 iterations. iteration 636: trace = 2.578881666196355 (5.71436e-10% change) linmin: converged after 15 iterations. iteration 637: trace = 2.578881666170575 (9.99686e-10% change) linmin: converged after 7 iterations. iteration 638: trace = 2.578881666158961 (4.50326e-10% change) linmin: converged after 3 iterations. iteration 639: trace = 2.578881666137326 (8.38952e-10% change) large trace change predicted (1.70635e-09%) linmin: converged after 16 iterations. iteration 640: trace = 2.578881666093318 (1.70646e-09% change) linmin: converged after 4 iterations. iteration 641: trace = 2.578881666076654 (6.46189e-10% change) large trace change predicted (1.54369e-09%) linmin: converged after 10 iterations. iteration 642: trace = 2.578881666036843 (1.54371e-09% change) linmin: converged after 4 iterations. iteration 643: trace = 2.578881665998372 (1.49179e-09% change) linmin: converged after 6 iterations. iteration 644: trace = 2.578881665989188 (3.56131e-10% change) large trace change predicted (9.14615e-10%) linmin: converged after 4 iterations. iteration 645: trace = 2.5788816659656 (9.14652e-10% change) linmin: converged after 13 iterations. iteration 646: trace = 2.578881665938786 (1.03974e-09% change) linmin: converged after 3 iterations. iteration 647: trace = 2.578881665927605 (4.33588e-10% change) large trace change predicted (1.85373e-09%) linmin: converged after 5 iterations. iteration 648: trace = 2.578881665879801 (1.85365e-09% change) linmin: converged after 6 iterations. iteration 649: trace = 2.578881665849486 (1.17552e-09% change) linmin: converged after 3 iterations. iteration 650: trace = 2.578881665837637 (4.59453e-10% change) linmin: converged after 4 iterations. iteration 651: trace = 2.578881665818133 (7.56295e-10% change) linmin: converged after 3 iterations. iteration 652: trace = 2.578881665793404 (9.58891e-10% change) linmin: converged after 3 iterations. iteration 653: trace = 2.57888166578838 (1.94847e-10% change) large trace change predicted (6.15716e-10%) linmin: converged after 3 iterations. iteration 654: trace = 2.578881665772504 (6.15606e-10% change) linmin: converged after 5 iterations. iteration 655: trace = 2.578881665755103 (6.74757e-10% change) linmin: converged after 15 iterations. iteration 656: trace = 2.578881665733172 (8.50404e-10% change) linmin: converged after 3 iterations. iteration 657: trace = 2.578881665727903 (2.04301e-10% change) large trace change predicted (8.55276e-10%) linmin: converged after 12 iterations. iteration 658: trace = 2.578881665705846 (8.55277e-10% change) linmin: converged after 5 iterations. iteration 659: trace = 2.578881665687642 (7.05891e-10% change) linmin: converged after 12 iterations. iteration 660: trace = 2.578881665677319 (4.00284e-10% change) large trace change predicted (1.03966e-09%) linmin: converged after 3 iterations. iteration 661: trace = 2.578881665650508 (1.03965e-09% change) linmin: converged after 4 iterations. iteration 662: trace = 2.578881665630861 (7.6184e-10% change) linmin: converged after 15 iterations. iteration 663: trace = 2.578881665624601 (2.42754e-10% change) large trace change predicted (8.73049e-10%) linmin: converged after 10 iterations. iteration 664: trace = 2.578881665602088 (8.72979e-10% change) linmin: converged after 3 iterations. iteration 665: trace = 2.578881665585691 (6.35805e-10% change) linmin: converged after 9 iterations. iteration 666: trace = 2.578881665579373 (2.44975e-10% change) large trace change predicted (5.44998e-10%) linmin: converged after 3 iterations. iteration 667: trace = 2.578881665565317 (5.45072e-10% change) linmin: converged after 3 iterations. iteration 668: trace = 2.578881665550274 (5.83318e-10% change) linmin: converged after 8 iterations. iteration 669: trace = 2.578881665539279 (4.26321e-10% change) linmin: converged after 15 iterations. iteration 670: trace = 2.578881665517534 (8.43188e-10% change) linmin: converged after 3 iterations. iteration 671: trace = 2.5788816655135 (1.56429e-10% change) large trace change predicted (6.11963e-10%) linmin: converged after 7 iterations. iteration 672: trace = 2.578881665497717 (6.12007e-10% change) linmin: converged after 3 iterations. iteration 673: trace = 2.578881665485625 (4.68907e-10% change) linmin: converged after 2 iterations. iteration 674: trace = 2.578881665477133 (3.29285e-10% change) linmin: converged after 4 iterations. iteration 675: trace = 2.578881665468803 (3.23017e-10% change) linmin: converged after 15 iterations. iteration 676: trace = 2.578881665455805 (5.04002e-10% change) linmin: converged after 15 iterations. iteration 677: trace = 2.578881665446927 (3.44267e-10% change) linmin: converged after 4 iterations. iteration 678: trace = 2.578881665434703 (4.74004e-10% change) linmin: converged after 14 iterations. iteration 679: trace = 2.578881665414669 (7.76839e-10% change) linmin: converged after 4 iterations. iteration 680: trace = 2.578881665410171 (1.74406e-10% change) large trace change predicted (5.34734e-10%) linmin: converged after 6 iterations. iteration 681: trace = 2.578881665396382 (5.34705e-10% change) linmin: converged after 13 iterations. iteration 682: trace = 2.578881665382299 (5.46105e-10% change) linmin: converged after 12 iterations. iteration 683: trace = 2.578881665377376 (1.90886e-10% change) large trace change predicted (4.80507e-10%) linmin: converged after 11 iterations. iteration 684: trace = 2.578881665364982 (4.80582e-10% change) linmin: converged after 4 iterations. iteration 685: trace = 2.578881665352843 (4.70698e-10% change) linmin: converged after 4 iterations. iteration 686: trace = 2.578881665343447 (3.64363e-10% change) linmin: converged after 3 iterations. iteration 687: trace = 2.578881665339246 (1.62886e-10% change) large trace change predicted (3.86006e-10%) linmin: converged after 8 iterations. iteration 688: trace = 2.578881665329292 (3.86009e-10% change) linmin: converged after 15 iterations. iteration 689: trace = 2.57888166532241 (2.66845e-10% change) linmin: converged after 4 iterations. iteration 690: trace = 2.578881665319939 (9.58133e-11% change) Finished solving for bands 1 to 10 after 690 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 elapsed time for k point: 5.802289009094238 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.744311706566845 (2.29525% change) linmin: converged after 4 iterations. iteration 2: trace = 2.727853429188773 (0.601527% change) linmin: converged after 4 iterations. iteration 3: trace = 2.712444778499678 (0.566463% change) linmin: converged after 3 iterations. iteration 4: trace = 2.709059882647264 (0.124869% change) large trace change predicted (0.449863%) linmin: converged after 5 iterations. iteration 5: trace = 2.697341162333736 (0.433513% change) linmin: converged after 3 iterations. iteration 6: trace = 2.694430122046091 (0.107981% change) linmin: converged after 4 iterations. iteration 7: trace = 2.689690881339194 (0.176045% change) linmin: converged after 4 iterations. iteration 8: trace = 2.684920914106784 (0.1775% change) linmin: converged after 4 iterations. iteration 9: trace = 2.683317893044006 (0.0597224% change) large trace change predicted (0.123465%) linmin: converged after 4 iterations. iteration 10: trace = 2.680111196554443 (0.119576% change) linmin: converged after 4 iterations. iteration 11: trace = 2.678994185279359 (0.0416865% change) linmin: converged after 4 iterations. iteration 12: trace = 2.677047604712764 (0.0726873% change) linmin: converged after 4 iterations. iteration 13: trace = 2.675749668986879 (0.0484956% change) linmin: converged after 4 iterations. iteration 14: trace = 2.675253512529668 (0.0185444% change) large trace change predicted (0.0689961%) linmin: converged after 5 iterations. iteration 15: trace = 2.673466767247756 (0.0668102% change) linmin: converged after 4 iterations. iteration 16: trace = 2.672597660652589 (0.0325139% change) large trace change predicted (0.0848707%) linmin: converged after 5 iterations. iteration 17: trace = 2.670556349849861 (0.0764085% change) linmin: converged after 5 iterations. iteration 18: trace = 2.669703874082995 (0.0319264% change) linmin: converged after 6 iterations. iteration 19: trace = 2.668900351150444 (0.0301024% change) linmin: converged after 4 iterations. iteration 20: trace = 2.668441764783743 (0.0171841% change) linmin: converged after 4 iterations. iteration 21: trace = 2.667894295966653 (0.0205185% change) linmin: converged after 4 iterations. iteration 22: trace = 2.667712420203308 (0.00681744% change) linmin: converged after 4 iterations. iteration 23: trace = 2.667380646818715 (0.0124374% change) linmin: converged after 4 iterations. iteration 24: trace = 2.667219082742461 (0.00605721% change) large trace change predicted (0.0140638%) linmin: converged after 4 iterations. iteration 25: trace = 2.66684774538052 (0.0139232% change) linmin: converged after 4 iterations. iteration 26: trace = 2.666714603089204 (0.00499262% change) large trace change predicted (0.0115122%) linmin: converged after 4 iterations. iteration 27: trace = 2.666408036339559 (0.0114967% change) linmin: converged after 3 iterations. iteration 28: trace = 2.666220305149554 (0.00704085% change) linmin: converged after 4 iterations. iteration 29: trace = 2.66597312092934 (0.00927139% change) linmin: converged after 4 iterations. iteration 30: trace = 2.665789186993254 (0.00689955% change) linmin: converged after 4 iterations. iteration 31: trace = 2.665604105047465 (0.0069431% change) linmin: converged after 3 iterations. iteration 32: trace = 2.665322393682089 (0.0105689% change) linmin: converged after 3 iterations. iteration 33: trace = 2.665175370989547 (0.00551628% change) linmin: converged after 3 iterations. iteration 34: trace = 2.664933916151045 (0.00906003% change) linmin: converged after 3 iterations. iteration 35: trace = 2.664826985369218 (0.00401259% change) large trace change predicted (0.0092731%) linmin: converged after 4 iterations. iteration 36: trace = 2.664575674215955 (0.00943112% change) linmin: converged after 3 iterations. iteration 37: trace = 2.664486077834961 (0.00336256% change) large trace change predicted (0.00824588%) linmin: converged after 3 iterations. iteration 38: trace = 2.66426321971807 (0.00836437% change) linmin: converged after 3 iterations. iteration 39: trace = 2.664167698140893 (0.00358535% change) large trace change predicted (0.00963697%) linmin: converged after 3 iterations. iteration 40: trace = 2.663907663756214 (0.00976091% change) linmin: converged after 4 iterations. iteration 41: trace = 2.663805028176641 (0.00385289% change) large trace change predicted (0.010414%) linmin: converged after 4 iterations. iteration 42: trace = 2.663525763579706 (0.0104842% change) linmin: converged after 4 iterations. iteration 43: trace = 2.663401608748139 (0.00466141% change) large trace change predicted (0.00944192%) linmin: converged after 4 iterations. iteration 44: trace = 2.663149126389749 (0.00948014% change) linmin: converged after 4 iterations. iteration 45: trace = 2.663044892504995 (0.00391401% change) large trace change predicted (0.00793982%) linmin: converged after 4 iterations. iteration 46: trace = 2.662833377783387 (0.0079429% change) linmin: converged after 4 iterations. iteration 47: trace = 2.662716816016567 (0.00437745% change) linmin: converged after 4 iterations. iteration 48: trace = 2.662492945270663 (0.00840796% change) linmin: converged after 10 iterations. iteration 49: trace = 2.662363198583294 (0.00487325% change) linmin: converged after 3 iterations. iteration 50: trace = 2.662194435901293 (0.00633903% change) linmin: converged after 4 iterations. iteration 51: trace = 2.662058263970111 (0.00511516% change) linmin: converged after 4 iterations. iteration 52: trace = 2.661880036824464 (0.00669531% change) linmin: converged after 3 iterations. iteration 53: trace = 2.661724424549829 (0.00584612% change) linmin: converged after 4 iterations. iteration 54: trace = 2.661571659351845 (0.0057395% change) linmin: converged after 4 iterations. iteration 55: trace = 2.661350624840456 (0.00830501% change) linmin: converged after 4 iterations. iteration 56: trace = 2.661190937801536 (0.00600041% change) linmin: converged after 4 iterations. iteration 57: trace = 2.660967704777387 (0.00838882% change) linmin: converged after 4 iterations. iteration 58: trace = 2.660849318412781 (0.0044491% change) large trace change predicted (0.00999838%) linmin: converged after 4 iterations. iteration 59: trace = 2.660586139879843 (0.00989126% change) linmin: converged after 4 iterations. iteration 60: trace = 2.660492932363067 (0.00350333% change) large trace change predicted (0.00837966%) linmin: converged after 4 iterations. iteration 61: trace = 2.660271734284825 (0.00831452% change) linmin: converged after 4 iterations. iteration 62: trace = 2.660168754141257 (0.00387111% change) large trace change predicted (0.0102877%) linmin: converged after 4 iterations. iteration 63: trace = 2.659896542020582 (0.0102334% change) linmin: converged after 6 iterations. iteration 64: trace = 2.659777432904348 (0.00447806% change) linmin: converged after 6 iterations. iteration 65: trace = 2.659570313256062 (0.00778741% change) linmin: converged after 3 iterations. iteration 66: trace = 2.659406587425108 (0.00615629% change) linmin: converged after 4 iterations. iteration 67: trace = 2.659264423859675 (0.00534583% change) linmin: converged after 4 iterations. iteration 68: trace = 2.659119392291422 (0.00545397% change) linmin: converged after 4 iterations. iteration 69: trace = 2.659023915401236 (0.00359061% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.658915873699179 (0.00406329% change) large trace change predicted (0.016385%) linmin: converged after 3 iterations. iteration 71: trace = 2.65847821219801 (0.0164615% change) linmin: converged after 3 iterations. iteration 72: trace = 2.658118975344289 (0.0135138% change) linmin: converged after 3 iterations. iteration 73: trace = 2.657882986337128 (0.00887844% change) linmin: converged after 3 iterations. iteration 74: trace = 2.657598355694323 (0.0107095% change) linmin: converged after 3 iterations. iteration 75: trace = 2.657541563519207 (0.002137% change) large trace change predicted (0.00462973%) linmin: converged after 3 iterations. iteration 76: trace = 2.657418313642661 (0.00463785% change) linmin: converged after 3 iterations. iteration 77: trace = 2.657346174417507 (0.00271467% change) linmin: converged after 6 iterations. iteration 78: trace = 2.657324770813269 (0.000805454% change) large trace change predicted (0.00211725%) linmin: converged after 3 iterations. iteration 79: trace = 2.657268389099224 (0.00212177% change) linmin: converged after 3 iterations. iteration 80: trace = 2.657245708872471 (0.00085352% change) linmin: converged after 3 iterations. iteration 81: trace = 2.657219660351481 (0.000980288% change) linmin: converged after 3 iterations. iteration 82: trace = 2.657182681218516 (0.00139166% change) linmin: converged after 3 iterations. iteration 83: trace = 2.657168089408553 (0.000549147% change) large trace change predicted (0.00207295%) linmin: converged after 3 iterations. iteration 84: trace = 2.657112955464979 (0.00207494% change) linmin: converged after 3 iterations. iteration 85: trace = 2.657052124539778 (0.00228939% change) linmin: converged after 9 iterations. iteration 86: trace = 2.657017628805025 (0.00129828% change) large trace change predicted (0.0041929%) linmin: converged after 3 iterations. iteration 87: trace = 2.656905955255567 (0.00420305% change) linmin: converged after 4 iterations. iteration 88: trace = 2.656840795769683 (0.00245249% change) linmin: converged after 3 iterations. iteration 89: trace = 2.656716258420769 (0.00468753% change) linmin: converged after 3 iterations. iteration 90: trace = 2.656564762507229 (0.00570254% change) linmin: converged after 3 iterations. iteration 91: trace = 2.656504400467738 (0.00227221% change) large trace change predicted (0.00808324%) linmin: converged after 4 iterations. iteration 92: trace = 2.656289837853747 (0.0080772% change) linmin: converged after 3 iterations. iteration 93: trace = 2.656193473489253 (0.00362785% change) linmin: converged after 4 iterations. iteration 94: trace = 2.656063428358988 (0.00489604% change) linmin: converged after 4 iterations. iteration 95: trace = 2.655889889600818 (0.0065339% change) linmin: converged after 4 iterations. iteration 96: trace = 2.655839142251867 (0.00191077% change) large trace change predicted (0.00421301%) linmin: converged after 3 iterations. iteration 97: trace = 2.655727256189858 (0.00421292% change) linmin: converged after 4 iterations. iteration 98: trace = 2.655616150869089 (0.0041837% change) linmin: converged after 4 iterations. iteration 99: trace = 2.655571209211261 (0.00169234% change) linmin: converged after 3 iterations. iteration 100: trace = 2.655503811953288 (0.00253799% change) linmin: converged after 3 iterations. iteration 101: trace = 2.655488980723592 (0.000558511% change) large trace change predicted (0.00182287%) linmin: converged after 3 iterations. iteration 102: trace = 2.655440595979532 (0.00182208% change) linmin: converged after 4 iterations. iteration 103: trace = 2.655383205452213 (0.00216127% change) linmin: converged after 5 iterations. iteration 104: trace = 2.655357510966723 (0.000967642% change) large trace change predicted (0.00357653%) linmin: converged after 4 iterations. iteration 105: trace = 2.655262493743208 (0.00357839% change) linmin: converged after 4 iterations. iteration 106: trace = 2.655229576881033 (0.00123969% change) large trace change predicted (0.00270501%) linmin: converged after 3 iterations. iteration 107: trace = 2.655157690114051 (0.0027074% change) linmin: converged after 3 iterations. iteration 108: trace = 2.655030930807147 (0.00477419% change) linmin: converged after 4 iterations. iteration 109: trace = 2.654980461725226 (0.0019009% change) large trace change predicted (0.00534967%) linmin: converged after 4 iterations. iteration 110: trace = 2.65483831067593 (0.00535427% change) linmin: converged after 4 iterations. iteration 111: trace = 2.654712145935743 (0.00475237% change) linmin: converged after 4 iterations. iteration 112: trace = 2.654658501141271 (0.00202076% change) linmin: converged after 4 iterations. iteration 113: trace = 2.654566839474135 (0.00345292% change) linmin: converged after 4 iterations. iteration 114: trace = 2.654539506720603 (0.00102966% change) large trace change predicted (0.00383287%) linmin: converged after 4 iterations. iteration 115: trace = 2.654437788715784 (0.00383192% change) linmin: converged after 4 iterations. iteration 116: trace = 2.654364539132505 (0.00275955% change) linmin: converged after 3 iterations. iteration 117: trace = 2.654340189959548 (0.00091733% change) large trace change predicted (0.00275142%) linmin: converged after 3 iterations. iteration 118: trace = 2.654267203206098 (0.00274975% change) linmin: converged after 3 iterations. iteration 119: trace = 2.654255160348953 (0.000453718% change) large trace change predicted (0.00136354%) linmin: converged after 3 iterations. iteration 120: trace = 2.654218987146353 (0.00136285% change) linmin: converged after 3 iterations. iteration 121: trace = 2.654200862719402 (0.000682856% change) linmin: converged after 4 iterations. iteration 122: trace = 2.65419338921621 (0.000281573% change) large trace change predicted (0.000758533%) linmin: converged after 5 iterations. iteration 123: trace = 2.65417325754406 (0.000758488% change) linmin: converged after 4 iterations. iteration 124: trace = 2.654167283770966 (0.000225071% change) linmin: converged after 3 iterations. iteration 125: trace = 2.654157924388185 (0.00035263% change) linmin: converged after 4 iterations. iteration 126: trace = 2.654147428429356 (0.000395454% change) linmin: converged after 4 iterations. iteration 127: trace = 2.65414356521363 (0.000145554% change) large trace change predicted (0.000376496%) linmin: converged after 4 iterations. iteration 128: trace = 2.654133572243902 (0.000376505% change) linmin: converged after 3 iterations. iteration 129: trace = 2.654120961518042 (0.000475136% change) linmin: converged after 4 iterations. iteration 130: trace = 2.654109191835844 (0.00044345% change) linmin: converged after 3 iterations. iteration 131: trace = 2.654085880836995 (0.000878302% change) linmin: converged after 6 iterations. iteration 132: trace = 2.654077837930282 (0.000303039% change) large trace change predicted (0.000990428%) linmin: converged after 3 iterations. iteration 133: trace = 2.654051536673845 (0.00099098% change) linmin: converged after 5 iterations. iteration 134: trace = 2.654040116195589 (0.000430304% change) linmin: converged after 3 iterations. iteration 135: trace = 2.654033618699459 (0.000244816% change) linmin: converged after 3 iterations. iteration 136: trace = 2.654022217430992 (0.000429584% change) linmin: converged after 3 iterations. iteration 137: trace = 2.654018101221194 (0.000155093% change) large trace change predicted (0.00048083%) linmin: converged after 3 iterations. iteration 138: trace = 2.65400533905391 (0.000480863% change) linmin: converged after 3 iterations. iteration 139: trace = 2.65399702905286 (0.000313112% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.653995088459377 (7.31197e-05% change) linmin: converged after 4 iterations. iteration 141: trace = 2.653992473173823 (9.85415e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.6539901550025 (8.73466e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.653988588755459 (5.90148e-05% change) linmin: converged after 4 iterations. iteration 144: trace = 2.653985747965276 (0.000107039% change) linmin: converged after 5 iterations. iteration 145: trace = 2.653984648480818 (4.14277e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.6539827442467 (7.175e-05% change) linmin: converged after 4 iterations. iteration 147: trace = 2.653979604141536 (0.000118317% change) linmin: converged after 5 iterations. iteration 148: trace = 2.653979060079978 (2.04998e-05% change) large trace change predicted (9.46791e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.653976547210318 (9.46831e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.653975158224627 (5.2336e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.653973699093475 (5.49791e-05% change) large trace change predicted (0.000111656%) linmin: converged after 3 iterations. iteration 152: trace = 2.65397073580476 (0.000111655% change) linmin: converged after 3 iterations. iteration 153: trace = 2.653968437943291 (8.65821e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 2.653966790958189 (6.20575e-05% change) large trace change predicted (0.000206077%) linmin: converged after 5 iterations. iteration 155: trace = 2.653961321414043 (0.00020609% change) linmin: converged after 3 iterations. iteration 156: trace = 2.653959586308098 (6.5378e-05% change) large trace change predicted (0.000249099%) linmin: converged after 4 iterations. iteration 157: trace = 2.653952975410349 (0.000249096% change) linmin: converged after 4 iterations. iteration 158: trace = 2.653947557440701 (0.000204147% change) linmin: converged after 3 iterations. iteration 159: trace = 2.653944316216653 (0.000122128% change) large trace change predicted (0.000321194%) linmin: converged after 4 iterations. iteration 160: trace = 2.653935789769726 (0.000321275% change) linmin: converged after 4 iterations. iteration 161: trace = 2.653926974756279 (0.000332149% change) linmin: converged after 4 iterations. iteration 162: trace = 2.653925366529978 (6.0598e-05% change) large trace change predicted (0.000210672%) linmin: converged after 4 iterations. iteration 163: trace = 2.653919774884092 (0.000210694% change) linmin: converged after 4 iterations. iteration 164: trace = 2.653917952098645 (6.86828e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.653915878528639 (7.81324e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.653913457863796 (9.12111e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.653912728937688 (2.74661e-05% change) large trace change predicted (0.000100225%) linmin: converged after 5 iterations. iteration 168: trace = 2.653910068832205 (0.000100233% change) linmin: converged after 4 iterations. iteration 169: trace = 2.653908236923407 (6.90268e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.653907655542546 (2.19066e-05% change) large trace change predicted (7.38394e-05%) linmin: converged after 8 iterations. iteration 171: trace = 2.653905696182572 (7.38293e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.653904101524922 (6.00872e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.65390359935577 (1.89219e-05% change) large trace change predicted (6.97395e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.653901748740724 (6.97318e-05% change) linmin: converged after 7 iterations. iteration 175: trace = 2.653900309093713 (5.42464e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.653899661043319 (2.44188e-05% change) large trace change predicted (8.21436e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.653897481265382 (8.21349e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.65389478450565 (0.000101615% change) linmin: converged after 3 iterations. iteration 179: trace = 2.653893725850911 (3.98906e-05% change) large trace change predicted (0.000173259%) linmin: converged after 4 iterations. iteration 180: trace = 2.653889127603079 (0.000173264% change) linmin: converged after 3 iterations. iteration 181: trace = 2.653888302725084 (3.10819e-05% change) large trace change predicted (9.92913e-05%) linmin: converged after 5 iterations. iteration 182: trace = 2.653885667431768 (9.92994e-05% change) linmin: converged after 4 iterations. iteration 183: trace = 2.653883594961416 (7.8092e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.653882451031205 (4.3104e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.653880513738066 (7.29985e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.653880029985519 (1.82281e-05% change) linmin: converged after 2 iterations. iteration 187: trace = 2.653879272951855 (2.85255e-05% change) linmin: converged after 4 iterations. iteration 188: trace = 2.653878603134779 (2.52392e-05% change) linmin: converged after 3 iterations. iteration 189: trace = 2.653878402301266 (7.56755e-06% change) large trace change predicted (1.8864e-05%) linmin: converged after 3 iterations. iteration 190: trace = 2.653877901679897 (1.88638e-05% change) linmin: converged after 4 iterations. iteration 191: trace = 2.653877422322583 (1.80625e-05% change) linmin: converged after 2 iterations. iteration 192: trace = 2.653877311013573 (4.1942e-06% change) large trace change predicted (1.21075e-05%) linmin: converged after 8 iterations. iteration 193: trace = 2.653876989698607 (1.21074e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.653876699362455 (1.09401e-05% change) linmin: converged after 4 iterations. iteration 195: trace = 2.653876504482589 (7.34322e-06% change) large trace change predicted (1.82666e-05%) linmin: converged after 3 iterations. iteration 196: trace = 2.653876019727643 (1.82659e-05% change) linmin: converged after 3 iterations. iteration 197: trace = 2.653875742474495 (1.04471e-05% change) large trace change predicted (2.56597e-05%) linmin: converged after 3 iterations. iteration 198: trace = 2.653875061536108 (2.56583e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.653874148251663 (3.44132e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.653873609274898 (2.03091e-05% change) linmin: converged after 5 iterations. iteration 201: trace = 2.653872934441708 (2.54282e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.653871896054025 (3.91273e-05% change) linmin: converged after 11 iterations. iteration 203: trace = 2.653871548124646 (1.31103e-05% change) large trace change predicted (3.26431e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.653870681752589 (3.26456e-05% change) linmin: converged after 5 iterations. iteration 205: trace = 2.653870113180877 (2.14242e-05% change) linmin: converged after 8 iterations. iteration 206: trace = 2.653869969355715 (5.41945e-06% change) large trace change predicted (1.28858e-05%) linmin: converged after 5 iterations. iteration 207: trace = 2.65386962738419 (1.28858e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.653869347066689 (1.05626e-05% change) linmin: converged after 4 iterations. iteration 209: trace = 2.653869078666865 (1.01135e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.653868929278431 (5.62908e-06% change) linmin: converged after 3 iterations. iteration 211: trace = 2.653868854720528 (2.8094e-06% change) linmin: converged after 4 iterations. iteration 212: trace = 2.653868739621619 (4.33702e-06% change) linmin: converged after 4 iterations. iteration 213: trace = 2.653868664026334 (2.84849e-06% change) large trace change predicted (6.99836e-06%) linmin: converged after 3 iterations. iteration 214: trace = 2.653868478285486 (6.99887e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.653868240868427 (8.94608e-06% change) linmin: converged after 3 iterations. iteration 216: trace = 2.653868168188466 (2.73864e-06% change) large trace change predicted (1.06412e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.653867885773913 (1.06416e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.653867629580051 (9.6536e-06% change) linmin: converged after 4 iterations. iteration 219: trace = 2.6538674425532 (7.04733e-06% change) large trace change predicted (1.43941e-05%) linmin: converged after 2 iterations. iteration 220: trace = 2.653867060548923 (1.43942e-05% change) linmin: converged after 5 iterations. iteration 221: trace = 2.653866955046615 (3.97542e-06% change) large trace change predicted (1.13656e-05%) linmin: converged after 2 iterations. iteration 222: trace = 2.65386665341414 (1.13658e-05% change) linmin: converged after 2 iterations. iteration 223: trace = 2.65386635665272 (1.11822e-05% change) linmin: converged after 2 iterations. iteration 224: trace = 2.653866275659121 (3.05191e-06% change) large trace change predicted (6.7759e-06%) linmin: converged after 8 iterations. iteration 225: trace = 2.653866095841 (6.7757e-06% change) linmin: converged after 3 iterations. iteration 226: trace = 2.653865950839495 (5.46378e-06% change) linmin: converged after 16 iterations. iteration 227: trace = 2.653865911375441 (1.48704e-06% change) large trace change predicted (5.25307e-06%) linmin: converged after 8 iterations. iteration 228: trace = 2.653865771971354 (5.25287e-06% change) linmin: converged after 30 iterations. iteration 229: trace = 2.653865714385018 (2.1699e-06% change) linmin: converged after 12 iterations. iteration 230: trace = 2.653865636870298 (2.92082e-06% change) linmin: converged after 3 iterations. iteration 231: trace = 2.653865565556158 (2.68718e-06% change) linmin: converged after 8 iterations. iteration 232: trace = 2.653865524729734 (1.53838e-06% change) linmin: converged after 4 iterations. iteration 233: trace = 2.653865447933593 (2.89375e-06% change) linmin: converged after 3 iterations. iteration 234: trace = 2.653865309756233 (5.20665e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 2.653865266341062 (1.63592e-06% change) large trace change predicted (5.70743e-06%) linmin: converged after 7 iterations. iteration 236: trace = 2.65386511487547 (5.70736e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.653864885071656 (8.65921e-06% change) linmin: converged after 4 iterations. iteration 238: trace = 2.653864825211013 (2.2556e-06% change) large trace change predicted (1.44429e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.653864441923401 (1.44426e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.653864126069366 (1.19017e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.653864012362174 (4.28459e-06% change) large trace change predicted (9.19425e-06%) linmin: converged after 2 iterations. iteration 242: trace = 2.653863768346315 (9.19474e-06% change) linmin: converged after 13 iterations. iteration 243: trace = 2.653863532230602 (8.89706e-06% change) linmin: converged after 2 iterations. iteration 244: trace = 2.653863422465232 (4.13606e-06% change) linmin: converged after 3 iterations. iteration 245: trace = 2.653863204777629 (8.20267e-06% change) linmin: converged after 2 iterations. iteration 246: trace = 2.653863147350654 (2.1639e-06% change) large trace change predicted (6.36488e-06%) linmin: converged after 2 iterations. iteration 247: trace = 2.653862978430967 (6.36505e-06% change) linmin: converged after 2 iterations. iteration 248: trace = 2.653862840031454 (5.21502e-06% change) linmin: converged after 5 iterations. iteration 249: trace = 2.653862795682846 (1.6711e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.653862736730642 (2.22137e-06% change) linmin: converged after 4 iterations. iteration 251: trace = 2.653862665750763 (2.67459e-06% change) linmin: converged after 3 iterations. iteration 252: trace = 2.653862644330882 (8.07121e-07% change) large trace change predicted (1.69537e-06%) linmin: converged after 7 iterations. iteration 253: trace = 2.653862599339077 (1.69533e-06% change) linmin: converged after 3 iterations. iteration 254: trace = 2.653862557331928 (1.58287e-06% change) linmin: converged after 3 iterations. iteration 255: trace = 2.653862542110703 (5.7355e-07% change) large trace change predicted (2.41703e-06%) linmin: converged after 3 iterations. iteration 256: trace = 2.653862477967833 (2.41696e-06% change) linmin: converged after 3 iterations. iteration 257: trace = 2.653862429244086 (1.83596e-06% change) linmin: converged after 3 iterations. iteration 258: trace = 2.653862355632653 (2.77375e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 2.653862240713912 (4.33025e-06% change) linmin: converged after 23 iterations. iteration 260: trace = 2.653862203252502 (1.41158e-06% change) large trace change predicted (3.1063e-06%) linmin: converged after 11 iterations. iteration 261: trace = 2.653862120817853 (3.10621e-06% change) linmin: converged after 22 iterations. iteration 262: trace = 2.653862016477676 (3.93164e-06% change) linmin: converged after 2 iterations. iteration 263: trace = 2.653861991572831 (9.38438e-07% change) large trace change predicted (3.48193e-06%) linmin: converged after 2 iterations. iteration 264: trace = 2.653861899166083 (3.48197e-06% change) linmin: converged after 4 iterations. iteration 265: trace = 2.653861840486549 (2.2111e-06% change) linmin: converged after 10 iterations. iteration 266: trace = 2.653861814272776 (9.8776e-07% change) large trace change predicted (2.04508e-06%) linmin: converged after 5 iterations. iteration 267: trace = 2.653861759999947 (2.04505e-06% change) linmin: converged after 2 iterations. iteration 268: trace = 2.653861729712912 (1.14124e-06% change) linmin: converged after 7 iterations. iteration 269: trace = 2.653861713877479 (5.96694e-07% change) linmin: converged after 4 iterations. iteration 270: trace = 2.653861685810446 (1.05759e-06% change) linmin: converged after 9 iterations. iteration 271: trace = 2.653861676306803 (3.58106e-07% change) linmin: converged after 2 iterations. iteration 272: trace = 2.653861664510934 (4.44479e-07% change) linmin: converged after 2 iterations. iteration 273: trace = 2.653861651288211 (4.98245e-07% change) linmin: converged after 3 iterations. iteration 274: trace = 2.653861645654054 (2.123e-07% change) linmin: converged after 9 iterations. iteration 275: trace = 2.653861637341998 (3.13206e-07% change) linmin: converged after 2 iterations. iteration 276: trace = 2.653861624091749 (4.99282e-07% change) linmin: converged after 9 iterations. iteration 277: trace = 2.653861619920205 (1.57188e-07% change) large trace change predicted (3.58256e-07%) linmin: converged after 7 iterations. iteration 278: trace = 2.653861610412518 (3.58259e-07% change) large trace change predicted (1.10295e-06%) linmin: converged after 3 iterations. iteration 279: trace = 2.653861581142976 (1.1029e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.653861568519023 (4.75682e-07% change) linmin: converged after 2 iterations. iteration 281: trace = 2.653861552923175 (5.87666e-07% change) linmin: converged after 3 iterations. iteration 282: trace = 2.653861550081947 (1.0706e-07% change) large trace change predicted (3.89619e-07%) linmin: converged after 2 iterations. iteration 283: trace = 2.653861539741979 (3.8962e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 2.653861531354648 (3.16043e-07% change) linmin: converged after 2 iterations. iteration 285: trace = 2.65386152881386 (9.57393e-08% change) large trace change predicted (4.06609e-07%) linmin: converged after 4 iterations. iteration 286: trace = 2.653861518023042 (4.06608e-07% change) linmin: converged after 2 iterations. iteration 287: trace = 2.653861510104847 (2.98365e-07% change) linmin: converged after 2 iterations. iteration 288: trace = 2.653861504210941 (2.22088e-07% change) large trace change predicted (4.8236e-07%) linmin: converged after 3 iterations. iteration 289: trace = 2.653861491409842 (4.82357e-07% change) linmin: converged after 30 iterations. iteration 290: trace = 2.653861478284371 (4.9458e-07% change) linmin: converged after 3 iterations. iteration 291: trace = 2.653861467601732 (4.02532e-07% change) large trace change predicted (9.49786e-07%) linmin: converged after 2 iterations. iteration 292: trace = 2.653861442395627 (9.4979e-07% change) linmin: converged after 3 iterations. iteration 293: trace = 2.653861432703633 (3.65203e-07% change) large trace change predicted (9.25801e-07%) linmin: converged after 2 iterations. iteration 294: trace = 2.653861408134078 (9.25804e-07% change) linmin: converged after 4 iterations. iteration 295: trace = 2.653861380954655 (1.02415e-06% change) linmin: converged after 2 iterations. iteration 296: trace = 2.653861370695237 (3.86585e-07% change) large trace change predicted (9.44367e-07%) linmin: converged after 22 iterations. iteration 297: trace = 2.653861345633382 (9.44354e-07% change) linmin: converged after 2 iterations. iteration 298: trace = 2.653861318083348 (1.03811e-06% change) linmin: converged after 23 iterations. iteration 299: trace = 2.653861309051124 (3.40343e-07% change) large trace change predicted (1.07811e-06%) linmin: converged after 3 iterations. iteration 300: trace = 2.653861280439376 (1.07812e-06% change) linmin: converged after 6 iterations. iteration 301: trace = 2.653861270422227 (3.77456e-07% change) linmin: converged after 5 iterations. iteration 302: trace = 2.653861257326721 (4.93451e-07% change) linmin: converged after 7 iterations. iteration 303: trace = 2.65386123993884 (6.55192e-07% change) linmin: converged after 5 iterations. iteration 304: trace = 2.653861237092904 (1.07238e-07% change) large trace change predicted (4.3725e-07%) linmin: converged after 2 iterations. iteration 305: trace = 2.653861225488783 (4.37254e-07% change) linmin: converged after 16 iterations. iteration 306: trace = 2.653861218875002 (2.49214e-07% change) linmin: converged after 4 iterations. iteration 307: trace = 2.653861216125898 (1.03589e-07% change) large trace change predicted (3.37229e-07%) linmin: converged after 4 iterations. iteration 308: trace = 2.653861207176281 (3.3723e-07% change) linmin: converged after 2 iterations. iteration 309: trace = 2.653861195835507 (4.27331e-07% change) linmin: converged after 4 iterations. iteration 310: trace = 2.653861185390587 (3.93574e-07% change) linmin: converged after 20 iterations. iteration 311: trace = 2.653861181517468 (1.45943e-07% change) large trace change predicted (4.49566e-07%) linmin: converged after 12 iterations. iteration 312: trace = 2.653861169586719 (4.49562e-07% change) linmin: converged after 3 iterations. iteration 313: trace = 2.653861159056564 (3.96786e-07% change) linmin: converged after 4 iterations. iteration 314: trace = 2.653861150358439 (3.27754e-07% change) linmin: converged after 9 iterations. iteration 315: trace = 2.653861134494232 (5.97778e-07% change) linmin: converged after 6 iterations. iteration 316: trace = 2.653861129798115 (1.76954e-07% change) large trace change predicted (5.85662e-07%) linmin: converged after 2 iterations. iteration 317: trace = 2.653861114255452 (5.85662e-07% change) linmin: converged after 4 iterations. iteration 318: trace = 2.653861101105498 (4.95503e-07% change) linmin: converged after 7 iterations. iteration 319: trace = 2.653861097243125 (1.45538e-07% change) large trace change predicted (4.93621e-07%) linmin: converged after 2 iterations. iteration 320: trace = 2.653861084143064 (4.93623e-07% change) linmin: converged after 4 iterations. iteration 321: trace = 2.65386107569902 (3.1818e-07% change) linmin: converged after 3 iterations. iteration 322: trace = 2.65386106993409 (2.17228e-07% change) linmin: converged after 10 iterations. iteration 323: trace = 2.653861063492937 (2.42709e-07% change) linmin: converged after 6 iterations. iteration 324: trace = 2.653861060759012 (1.03017e-07% change) linmin: converged after 4 iterations. iteration 325: trace = 2.65386105919477 (5.89421e-08% change) linmin: converged after 3 iterations. iteration 326: trace = 2.653861056255077 (1.1077e-07% change) linmin: converged after 3 iterations. iteration 327: trace = 2.653861055133477 (4.22629e-08% change) linmin: converged after 3 iterations. iteration 328: trace = 2.653861053319638 (6.83472e-08% change) linmin: converged after 3 iterations. iteration 329: trace = 2.653861051562423 (6.62135e-08% change) linmin: converged after 4 iterations. iteration 330: trace = 2.653861050695187 (3.26783e-08% change) large trace change predicted (7.69361e-08%) linmin: converged after 2 iterations. iteration 331: trace = 2.65386104865341 (7.69361e-08% change) linmin: converged after 6 iterations. iteration 332: trace = 2.653861046058223 (9.77891e-08% change) linmin: converged after 7 iterations. iteration 333: trace = 2.65386104531301 (2.80803e-08% change) large trace change predicted (1.40742e-07%) linmin: converged after 4 iterations. iteration 334: trace = 2.653861041577919 (1.40742e-07% change) linmin: converged after 3 iterations. iteration 335: trace = 2.653861040199561 (5.19379e-08% change) large trace change predicted (1.39089e-07%) linmin: converged after 2 iterations. iteration 336: trace = 2.653861036508313 (1.3909e-07% change) linmin: converged after 3 iterations. iteration 337: trace = 2.653861031266001 (1.97535e-07% change) linmin: converged after 3 iterations. iteration 338: trace = 2.653861027833178 (1.29352e-07% change) linmin: converged after 4 iterations. iteration 339: trace = 2.653861026543587 (4.8593e-08% change) large trace change predicted (1.67193e-07%) linmin: converged after 2 iterations. iteration 340: trace = 2.653861022106503 (1.67194e-07% change) linmin: converged after 2 iterations. iteration 341: trace = 2.653861019531463 (9.703e-08% change) linmin: converged after 2 iterations. iteration 342: trace = 2.653861018135178 (5.26133e-08% change) linmin: converged after 12 iterations. iteration 343: trace = 2.653861016177038 (7.37846e-08% change) linmin: converged after 2 iterations. iteration 344: trace = 2.653861014648154 (5.76098e-08% change) linmin: converged after 4 iterations. iteration 345: trace = 2.653861013532381 (4.20434e-08% change) linmin: converged after 6 iterations. iteration 346: trace = 2.653861011643799 (7.11635e-08% change) linmin: converged after 22 iterations. iteration 347: trace = 2.653861011277629 (1.37976e-08% change) large trace change predicted (4.42078e-08%) linmin: converged after 4 iterations. iteration 348: trace = 2.653861010104421 (4.42076e-08% change) linmin: converged after 33 iterations. iteration 349: trace = 2.653861008396412 (6.43594e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.653861007754014 (2.42062e-08% change) linmin: converged after 8 iterations. iteration 351: trace = 2.653861006535373 (4.59195e-08% change) linmin: converged after 4 iterations. iteration 352: trace = 2.653861006230148 (1.15012e-08% change) large trace change predicted (2.70606e-08%) linmin: converged after 4 iterations. iteration 353: trace = 2.653861005511998 (2.70606e-08% change) linmin: converged after 2 iterations. iteration 354: trace = 2.653861004289522 (4.6064e-08% change) linmin: converged after 3 iterations. iteration 355: trace = 2.653861003843425 (1.68094e-08% change) large trace change predicted (5.15511e-08%) linmin: converged after 3 iterations. iteration 356: trace = 2.65386100247533 (5.15511e-08% change) linmin: converged after 3 iterations. iteration 357: trace = 2.653861000928064 (5.83025e-08% change) linmin: converged after 2 iterations. iteration 358: trace = 2.653861000299797 (2.36737e-08% change) large trace change predicted (7.03634e-08%) linmin: converged after 4 iterations. iteration 359: trace = 2.653860998432446 (7.03635e-08% change) linmin: converged after 2 iterations. iteration 360: trace = 2.653860996431212 (7.54084e-08% change) linmin: converged after 31 iterations. iteration 361: trace = 2.653860995858524 (2.15794e-08% change) large trace change predicted (7.98723e-08%) linmin: converged after 3 iterations. iteration 362: trace = 2.653860993738825 (7.98723e-08% change) linmin: converged after 3 iterations. iteration 363: trace = 2.653860991674018 (7.78039e-08% change) linmin: converged after 4 iterations. iteration 364: trace = 2.653860991143573 (1.99877e-08% change) large trace change predicted (6.45968e-08%) linmin: converged after 3 iterations. iteration 365: trace = 2.653860989429274 (6.45964e-08% change) linmin: converged after 3 iterations. iteration 366: trace = 2.653860988471134 (3.61036e-08% change) linmin: converged after 20 iterations. iteration 367: trace = 2.653860988073512 (1.49828e-08% change) large trace change predicted (3.7511e-08%) linmin: converged after 3 iterations. iteration 368: trace = 2.653860987078027 (3.75108e-08% change) linmin: converged after 3 iterations. iteration 369: trace = 2.653860986528396 (2.07106e-08% change) linmin: converged after 21 iterations. iteration 370: trace = 2.653860986091291 (1.64705e-08% change) linmin: converged after 23 iterations. iteration 371: trace = 2.653860985561272 (1.99716e-08% change) linmin: converged after 29 iterations. iteration 372: trace = 2.653860985383989 (6.68016e-09% change) large trace change predicted (1.83114e-08%) linmin: converged after 8 iterations. iteration 373: trace = 2.653860984898031 (1.83114e-08% change) linmin: converged after 3 iterations. iteration 374: trace = 2.653860983994281 (3.40542e-08% change) linmin: converged after 27 iterations. iteration 375: trace = 2.653860983793793 (7.55456e-09% change) large trace change predicted (3.92558e-08%) linmin: converged after 17 iterations. iteration 376: trace = 2.653860982751998 (3.92558e-08% change) linmin: converged after 3 iterations. iteration 377: trace = 2.653860981700241 (3.96312e-08% change) linmin: converged after 3 iterations. iteration 378: trace = 2.653860981342773 (1.34697e-08% change) large trace change predicted (7.87387e-08%) linmin: converged after 2 iterations. iteration 379: trace = 2.653860979253156 (7.87387e-08% change) linmin: converged after 4 iterations. iteration 380: trace = 2.653860977426804 (6.88187e-08% change) linmin: converged after 31 iterations. iteration 381: trace = 2.653860976150081 (4.81081e-08% change) linmin: converged after 2 iterations. iteration 382: trace = 2.653860975561217 (2.2189e-08% change) large trace change predicted (6.88371e-08%) linmin: converged after 2 iterations. iteration 383: trace = 2.653860973734375 (6.88371e-08% change) linmin: converged after 4 iterations. iteration 384: trace = 2.653860973144445 (2.22291e-08% change) large trace change predicted (4.78977e-08%) linmin: converged after 3 iterations. iteration 385: trace = 2.653860971873308 (4.78976e-08% change) linmin: converged after 18 iterations. iteration 386: trace = 2.653860970464415 (5.30884e-08% change) linmin: converged after 4 iterations. iteration 387: trace = 2.653860970196491 (1.00956e-08% change) large trace change predicted (2.94344e-08%) linmin: converged after 2 iterations. iteration 388: trace = 2.653860969415343 (2.94344e-08% change) linmin: converged after 6 iterations. iteration 389: trace = 2.653860969163304 (9.4971e-09% change) linmin: converged after 3 iterations. iteration 390: trace = 2.653860968721931 (1.66313e-08% change) linmin: converged after 19 iterations. iteration 391: trace = 2.653860968230719 (1.85093e-08% change) linmin: converged after 4 iterations. iteration 392: trace = 2.653860967829862 (1.51046e-08% change) linmin: converged after 13 iterations. iteration 393: trace = 2.65386096771474 (4.33791e-09% change) large trace change predicted (1.12064e-08%) linmin: converged after 21 iterations. iteration 394: trace = 2.653860967417339 (1.12064e-08% change) linmin: converged after 4 iterations. iteration 395: trace = 2.653860967038607 (1.4271e-08% change) linmin: converged after 8 iterations. iteration 396: trace = 2.653860966876808 (6.09674e-09% change) large trace change predicted (1.97519e-08%) linmin: converged after 6 iterations. iteration 397: trace = 2.653860966352622 (1.97518e-08% change) linmin: converged after 2 iterations. iteration 398: trace = 2.653860965948724 (1.52193e-08% change) linmin: converged after 22 iterations. iteration 399: trace = 2.653860965594904 (1.33323e-08% change) linmin: converged after 13 iterations. iteration 400: trace = 2.653860965067367 (1.98781e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.653860964527554 (2.03407e-08% change) linmin: converged after 4 iterations. iteration 402: trace = 2.653860964359456 (6.33409e-09% change) large trace change predicted (2.74226e-08%) linmin: converged after 14 iterations. iteration 403: trace = 2.653860963631696 (2.74227e-08% change) linmin: converged after 5 iterations. iteration 404: trace = 2.653860963365124 (1.00447e-08% change) linmin: converged after 2 iterations. iteration 405: trace = 2.653860963154491 (7.93685e-09% change) large trace change predicted (1.78088e-08%) linmin: converged after 4 iterations. iteration 406: trace = 2.653860962681867 (1.78089e-08% change) linmin: converged after 6 iterations. iteration 407: trace = 2.653860962585241 (3.64095e-09% change) large trace change predicted (1.08445e-08%) linmin: converged after 7 iterations. iteration 408: trace = 2.653860962297444 (1.08444e-08% change) linmin: converged after 3 iterations. iteration 409: trace = 2.653860962043317 (9.57574e-09% change) linmin: converged after 15 iterations. iteration 410: trace = 2.653860961998546 (1.68702e-09% change) large trace change predicted (6.55028e-09%) linmin: converged after 6 iterations. iteration 411: trace = 2.653860961824712 (6.55022e-09% change) linmin: converged after 4 iterations. iteration 412: trace = 2.653860961729741 (3.57862e-09% change) linmin: converged after 7 iterations. iteration 413: trace = 2.653860961681473 (1.81877e-09% change) large trace change predicted (4.09145e-09%) linmin: converged after 16 iterations. iteration 414: trace = 2.65386096157289 (4.09152e-09% change) linmin: converged after 4 iterations. iteration 415: trace = 2.653860961525542 (1.78411e-09% change) linmin: converged after 6 iterations. iteration 416: trace = 2.653860961441487 (3.16725e-09% change) linmin: converged after 15 iterations. iteration 417: trace = 2.653860961369957 (2.69531e-09% change) linmin: converged after 7 iterations. iteration 418: trace = 2.653860961265035 (3.95359e-09% change) linmin: converged after 5 iterations. iteration 419: trace = 2.653860961233102 (1.20325e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.65386096120336 (1.12069e-09% change) large trace change predicted (3.0261e-09%) linmin: converged after 5 iterations. iteration 421: trace = 2.653860961123051 (3.02612e-09% change) linmin: converged after 6 iterations. iteration 422: trace = 2.653860961055666 (2.53916e-09% change) linmin: converged after 14 iterations. iteration 423: trace = 2.653860961002318 (2.01019e-09% change) linmin: converged after 3 iterations. iteration 424: trace = 2.65386096095672 (1.71817e-09% change) linmin: converged after 4 iterations. iteration 425: trace = 2.653860960878584 (2.94426e-09% change) linmin: converged after 4 iterations. iteration 426: trace = 2.653860960854664 (9.01311e-10% change) large trace change predicted (3.79323e-09%) linmin: converged after 15 iterations. iteration 427: trace = 2.653860960753998 (3.79321e-09% change) linmin: converged after 13 iterations. iteration 428: trace = 2.653860960664026 (3.3902e-09% change) linmin: converged after 4 iterations. iteration 429: trace = 2.653860960621721 (1.59412e-09% change) large trace change predicted (6.53699e-09%) linmin: converged after 12 iterations. iteration 430: trace = 2.653860960448237 (6.53704e-09% change) linmin: converged after 3 iterations. iteration 431: trace = 2.653860960384427 (2.40443e-09% change) large trace change predicted (5.68384e-09%) linmin: converged after 3 iterations. iteration 432: trace = 2.653860960233586 (5.68382e-09% change) linmin: converged after 2 iterations. iteration 433: trace = 2.653860960021614 (7.98731e-09% change) linmin: converged after 16 iterations. iteration 434: trace = 2.653860959944636 (2.9006e-09% change) large trace change predicted (5.95357e-09%) linmin: converged after 2 iterations. iteration 435: trace = 2.653860959786638 (5.95348e-09% change) linmin: converged after 18 iterations. iteration 436: trace = 2.653860959587209 (7.51469e-09% change) linmin: converged after 6 iterations. iteration 437: trace = 2.653860959529844 (2.16158e-09% change) large trace change predicted (7.98842e-09%) linmin: converged after 4 iterations. iteration 438: trace = 2.65386095931784 (7.9885e-09% change) linmin: converged after 3 iterations. iteration 439: trace = 2.653860959204592 (4.26731e-09% change) linmin: converged after 8 iterations. iteration 440: trace = 2.653860959125839 (2.96747e-09% change) linmin: converged after 19 iterations. iteration 441: trace = 2.653860958990546 (5.09797e-09% change) linmin: converged after 6 iterations. iteration 442: trace = 2.653860958928653 (2.33219e-09% change) linmin: converged after 14 iterations. iteration 443: trace = 2.653860958835818 (3.49811e-09% change) linmin: converged after 22 iterations. iteration 444: trace = 2.653860958739894 (3.61451e-09% change) linmin: converged after 4 iterations. iteration 445: trace = 2.653860958691338 (1.82961e-09% change) linmin: converged after 10 iterations. iteration 446: trace = 2.653860958669929 (8.06732e-10% change) large trace change predicted (3.09935e-09%) linmin: converged after 15 iterations. iteration 447: trace = 2.653860958587675 (3.09938e-09% change) linmin: converged after 9 iterations. iteration 448: trace = 2.653860958526129 (2.31914e-09% change) linmin: converged after 5 iterations. iteration 449: trace = 2.653860958498604 (1.03714e-09% change) large trace change predicted (2.66022e-09%) linmin: converged after 16 iterations. iteration 450: trace = 2.653860958428007 (2.66019e-09% change) linmin: converged after 19 iterations. iteration 451: trace = 2.65386095832999 (3.69336e-09% change) linmin: converged after 4 iterations. iteration 452: trace = 2.653860958244165 (3.23397e-09% change) linmin: converged after 21 iterations. iteration 453: trace = 2.65386095817442 (2.62804e-09% change) linmin: converged after 4 iterations. iteration 454: trace = 2.653860958047139 (4.79608e-09% change) linmin: converged after 3 iterations. iteration 455: trace = 2.653860958009575 (1.41544e-09% change) large trace change predicted (4.03173e-09%) linmin: converged after 9 iterations. iteration 456: trace = 2.653860957902578 (4.03175e-09% change) linmin: converged after 16 iterations. iteration 457: trace = 2.653860957804056 (3.71242e-09% change) linmin: converged after 6 iterations. iteration 458: trace = 2.653860957777444 (1.00273e-09% change) large trace change predicted (3.00003e-09%) linmin: converged after 4 iterations. iteration 459: trace = 2.653860957697827 (3.00005e-09% change) linmin: converged after 3 iterations. iteration 460: trace = 2.653860957604774 (3.50633e-09% change) linmin: converged after 10 iterations. iteration 461: trace = 2.65386095759052 (5.37118e-10% change) large trace change predicted (1.62956e-09%) linmin: converged after 3 iterations. iteration 462: trace = 2.653860957547272 (1.62961e-09% change) linmin: converged after 3 iterations. iteration 463: trace = 2.653860957508931 (1.44474e-09% change) linmin: converged after 14 iterations. iteration 464: trace = 2.653860957501165 (2.92606e-10% change) large trace change predicted (1.00201e-09%) linmin: converged after 4 iterations. iteration 465: trace = 2.653860957474572 (1.00208e-09% change) linmin: converged after 7 iterations. iteration 466: trace = 2.653860957459918 (5.52145e-10% change) linmin: converged after 15 iterations. iteration 467: trace = 2.653860957450697 (3.47459e-10% change) linmin: converged after 5 iterations. iteration 468: trace = 2.653860957437653 (4.91536e-10% change) linmin: converged after 6 iterations. iteration 469: trace = 2.653860957429698 (2.99751e-10% change) linmin: converged after 6 iterations. iteration 470: trace = 2.653860957415155 (5.47979e-10% change) linmin: converged after 2 iterations. iteration 471: trace = 2.653860957395375 (7.45336e-10% change) linmin: converged after 9 iterations. iteration 472: trace = 2.653860957389842 (2.08485e-10% change) large trace change predicted (9.08118e-10%) linmin: converged after 6 iterations. iteration 473: trace = 2.653860957365741 (9.08155e-10% change) linmin: converged after 3 iterations. iteration 474: trace = 2.653860957341259 (9.22512e-10% change) linmin: converged after 6 iterations. iteration 475: trace = 2.653860957332617 (3.25638e-10% change) large trace change predicted (1.53152e-09%) linmin: converged after 6 iterations. iteration 476: trace = 2.653860957291968 (1.53169e-09% change) linmin: converged after 3 iterations. iteration 477: trace = 2.653860957263744 (1.06351e-09% change) linmin: converged after 5 iterations. iteration 478: trace = 2.653860957229201 (1.30161e-09% change) linmin: converged after 4 iterations. iteration 479: trace = 2.653860957221559 (2.87954e-10% change) large trace change predicted (9.55324e-10%) linmin: converged after 4 iterations. iteration 480: trace = 2.653860957196203 (9.55444e-10% change) linmin: converged after 6 iterations. iteration 481: trace = 2.653860957171275 (9.39279e-10% change) linmin: converged after 3 iterations. iteration 482: trace = 2.653860957165084 (2.33301e-10% change) large trace change predicted (8.92355e-10%) linmin: converged after 4 iterations. iteration 483: trace = 2.653860957141402 (8.92358e-10% change) linmin: converged after 13 iterations. iteration 484: trace = 2.653860957132954 (3.18325e-10% change) linmin: converged after 3 iterations. iteration 485: trace = 2.65386095712573 (2.72207e-10% change) linmin: converged after 5 iterations. iteration 486: trace = 2.653860957117032 (3.27763e-10% change) linmin: converged after 7 iterations. iteration 487: trace = 2.65386095711466 (8.93747e-11% change) Finished solving for bands 1 to 10 after 487 iterations. tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323 elapsed time for k point: 4.108085870742798 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.767191359900659 (3.67887% change) linmin: converged after 6 iterations. iteration 2: trace = 2.669057064223724 (3.61037% change) linmin: converged after 5 iterations. iteration 3: trace = 2.6036257943754 (2.4819% change) linmin: converged after 4 iterations. iteration 4: trace = 2.589397473453344 (0.547978% change) linmin: converged after 11 iterations. iteration 5: trace = 2.564425798223957 (0.969054% change) linmin: converged after 4 iterations. iteration 6: trace = 2.56227099255405 (0.0840621% change) large trace change predicted (0.183586%) linmin: converged after 4 iterations. iteration 7: trace = 2.557519451191472 (0.185615% change) linmin: converged after 4 iterations. iteration 8: trace = 2.553381147519061 (0.16194% change) linmin: converged after 4 iterations. iteration 9: trace = 2.551758112059498 (0.0635844% change) linmin: converged after 4 iterations. iteration 10: trace = 2.548676087501944 (0.120853% change) linmin: converged after 4 iterations. iteration 11: trace = 2.547042194197328 (0.0641281% change) linmin: converged after 4 iterations. iteration 12: trace = 2.545109356631263 (0.0759144% change) linmin: converged after 4 iterations. iteration 13: trace = 2.543744816460272 (0.0536286% change) linmin: converged after 4 iterations. iteration 14: trace = 2.543493514467712 (0.0098797% change) large trace change predicted (0.0326856%) linmin: converged after 4 iterations. iteration 15: trace = 2.542654794913648 (0.0329805% change) linmin: converged after 3 iterations. iteration 16: trace = 2.542233369303156 (0.0165756% change) linmin: converged after 3 iterations. iteration 17: trace = 2.54198941747568 (0.00959643% change) large trace change predicted (0.0296921%) linmin: converged after 4 iterations. iteration 18: trace = 2.541222802269298 (0.0301626% change) linmin: converged after 3 iterations. iteration 19: trace = 2.540916664973665 (0.0120476% change) linmin: converged after 4 iterations. iteration 20: trace = 2.540420029329066 (0.0195474% change) linmin: converged after 3 iterations. iteration 21: trace = 2.540069529024041 (0.0137979% change) linmin: converged after 4 iterations. iteration 22: trace = 2.539913073190493 (0.0061597% change) large trace change predicted (0.0132669%) linmin: converged after 3 iterations. iteration 23: trace = 2.539574117819785 (0.013346% change) linmin: converged after 3 iterations. iteration 24: trace = 2.53932004151427 (0.0100052% change) linmin: converged after 3 iterations. iteration 25: trace = 2.539190024559254 (0.00512028% change) large trace change predicted (0.0109152%) linmin: converged after 3 iterations. iteration 26: trace = 2.538911967599464 (0.0109512% change) linmin: converged after 3 iterations. iteration 27: trace = 2.538826425514922 (0.0033693% change) large trace change predicted (0.00728319%) linmin: converged after 3 iterations. iteration 28: trace = 2.538640782043356 (0.00731244% change) linmin: converged after 3 iterations. iteration 29: trace = 2.538415985022709 (0.00885541% change) linmin: converged after 4 iterations. iteration 30: trace = 2.538329548016399 (0.00340521% change) large trace change predicted (0.0126402%) linmin: converged after 5 iterations. iteration 31: trace = 2.538007524605835 (0.0126872% change) linmin: converged after 3 iterations. iteration 32: trace = 2.537917134122857 (0.00356154% change) large trace change predicted (0.011859%) linmin: converged after 4 iterations. iteration 33: trace = 2.53761538877912 (0.0118902% change) linmin: converged after 9 iterations. iteration 34: trace = 2.537446537580793 (0.00665415% change) linmin: converged after 4 iterations. iteration 35: trace = 2.53733737654493 (0.0043021% change) large trace change predicted (0.010611%) linmin: converged after 3 iterations. iteration 36: trace = 2.537067938271674 (0.0106195% change) linmin: converged after 3 iterations. iteration 37: trace = 2.536999338605757 (0.00270393% change) large trace change predicted (0.0111008%) linmin: converged after 6 iterations. iteration 38: trace = 2.536717301342011 (0.0111176% change) linmin: converged after 4 iterations. iteration 39: trace = 2.536633649504292 (0.0032977% change) linmin: converged after 3 iterations. iteration 40: trace = 2.536477740090534 (0.0061465% change) linmin: converged after 3 iterations. iteration 41: trace = 2.536329147050624 (0.00585842% change) linmin: converged after 3 iterations. iteration 42: trace = 2.536150129902496 (0.00705837% change) linmin: converged after 3 iterations. iteration 43: trace = 2.535989187472811 (0.00634614% change) linmin: converged after 3 iterations. iteration 44: trace = 2.535865636101641 (0.00487204% change) linmin: converged after 3 iterations. iteration 45: trace = 2.535703129977313 (0.00640852% change) linmin: converged after 3 iterations. iteration 46: trace = 2.535652164602485 (0.00200993% change) large trace change predicted (0.00754011%) linmin: converged after 4 iterations. iteration 47: trace = 2.535461020443776 (0.00753855% change) linmin: converged after 4 iterations. iteration 48: trace = 2.535421690439817 (0.00155121% change) large trace change predicted (0.00506197%) linmin: converged after 3 iterations. iteration 49: trace = 2.535293406506491 (0.0050598% change) linmin: converged after 3 iterations. iteration 50: trace = 2.53521276212383 (0.00318092% change) linmin: converged after 4 iterations. iteration 51: trace = 2.535125004471859 (0.00346161% change) linmin: converged after 4 iterations. iteration 52: trace = 2.534950838492999 (0.00687035% change) linmin: converged after 4 iterations. iteration 53: trace = 2.534873055670356 (0.00306846% change) large trace change predicted (0.00863854%) linmin: converged after 4 iterations. iteration 54: trace = 2.534655203323289 (0.00859458% change) linmin: converged after 4 iterations. iteration 55: trace = 2.534598318427521 (0.00224431% change) large trace change predicted (0.00574944%) linmin: converged after 4 iterations. iteration 56: trace = 2.534453093072873 (0.00572988% change) linmin: converged after 4 iterations. iteration 57: trace = 2.534390064333639 (0.00248691% change) linmin: converged after 4 iterations. iteration 58: trace = 2.534330715143176 (0.00234178% change) linmin: converged after 5 iterations. iteration 59: trace = 2.534233925355487 (0.00381922% change) linmin: converged after 4 iterations. iteration 60: trace = 2.534207639918007 (0.00103722% change) large trace change predicted (0.00309781%) linmin: converged after 3 iterations. iteration 61: trace = 2.534129177793587 (0.00309617% change) linmin: converged after 4 iterations. iteration 62: trace = 2.534095627014707 (0.00132397% change) large trace change predicted (0.00285521%) linmin: converged after 4 iterations. iteration 63: trace = 2.534023338423374 (0.00285268% change) linmin: converged after 4 iterations. iteration 64: trace = 2.533957962271697 (0.00257997% change) linmin: converged after 4 iterations. iteration 65: trace = 2.533883349405139 (0.00294456% change) linmin: converged after 4 iterations. iteration 66: trace = 2.533772553908711 (0.00437265% change) linmin: converged after 4 iterations. iteration 67: trace = 2.533730619638856 (0.00165503% change) linmin: converged after 3 iterations. iteration 68: trace = 2.53365910557683 (0.00282252% change) linmin: converged after 3 iterations. iteration 69: trace = 2.533617326462081 (0.00164898% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.533588468127561 (0.00113902% change) linmin: converged after 3 iterations. iteration 71: trace = 2.533564612631144 (0.000941574% change) linmin: converged after 5 iterations. iteration 72: trace = 2.533539565827279 (0.000988604% change) linmin: converged after 3 iterations. iteration 73: trace = 2.533522851944827 (0.000659707% change) large trace change predicted (0.00183858%) linmin: converged after 3 iterations. iteration 74: trace = 2.533476190230128 (0.00184179% change) linmin: converged after 5 iterations. iteration 75: trace = 2.533464116338791 (0.000476575% change) large trace change predicted (0.0027524%) linmin: converged after 3 iterations. iteration 76: trace = 2.533394140496579 (0.0027621% change) linmin: converged after 3 iterations. iteration 77: trace = 2.533360152124861 (0.00134162% change) linmin: converged after 3 iterations. iteration 78: trace = 2.533332216909686 (0.0011027% change) large trace change predicted (0.00246271%) linmin: converged after 3 iterations. iteration 79: trace = 2.533269550951909 (0.00247369% change) linmin: converged after 4 iterations. iteration 80: trace = 2.53321757351669 (0.00205181% change) linmin: converged after 3 iterations. iteration 81: trace = 2.533191311732387 (0.0010367% change) large trace change predicted (0.00237279%) linmin: converged after 4 iterations. iteration 82: trace = 2.533130954946341 (0.00238267% change) linmin: converged after 3 iterations. iteration 83: trace = 2.533112979858068 (0.000709602% change) linmin: converged after 3 iterations. iteration 84: trace = 2.53308883005004 (0.000953369% change) linmin: converged after 3 iterations. iteration 85: trace = 2.533060203136364 (0.00113013% change) linmin: converged after 3 iterations. iteration 86: trace = 2.533052321591619 (0.000311148% change) large trace change predicted (0.000755847%) linmin: converged after 3 iterations. iteration 87: trace = 2.533033164984285 (0.000756269% change) linmin: converged after 3 iterations. iteration 88: trace = 2.533014475231882 (0.000737844% change) linmin: converged after 3 iterations. iteration 89: trace = 2.533001356101632 (0.000517927% change) linmin: converged after 5 iterations. iteration 90: trace = 2.532976196411763 (0.000993281% change) linmin: converged after 3 iterations. iteration 91: trace = 2.532972346128114 (0.000152006% change) large trace change predicted (0.000749754%) linmin: converged after 4 iterations. iteration 92: trace = 2.532953368903722 (0.000749211% change) linmin: converged after 4 iterations. iteration 93: trace = 2.53293491010202 (0.000728749% change) linmin: converged after 4 iterations. iteration 94: trace = 2.532926881902547 (0.000316953% change) large trace change predicted (0.00178242%) linmin: converged after 4 iterations. iteration 95: trace = 2.532881914444002 (0.00177533% change) linmin: converged after 4 iterations. iteration 96: trace = 2.53285830046675 (0.000932301% change) linmin: converged after 4 iterations. iteration 97: trace = 2.532819784042777 (0.00152068% change) linmin: converged after 4 iterations. iteration 98: trace = 2.532786188462793 (0.00132642% change) linmin: converged after 7 iterations. iteration 99: trace = 2.532774276665058 (0.000470305% change) large trace change predicted (0.00101682%) linmin: converged after 4 iterations. iteration 100: trace = 2.532748567800271 (0.00101505% change) linmin: converged after 4 iterations. iteration 101: trace = 2.532735567534749 (0.000513288% change) linmin: converged after 8 iterations. iteration 102: trace = 2.53272593241923 (0.000380424% change) linmin: converged after 3 iterations. iteration 103: trace = 2.532712921241087 (0.000513724% change) linmin: converged after 3 iterations. iteration 104: trace = 2.532704524689957 (0.000331525% change) linmin: converged after 3 iterations. iteration 105: trace = 2.532697408516166 (0.000280972% change) large trace change predicted (0.000634814%) linmin: converged after 3 iterations. iteration 106: trace = 2.53268133815653 (0.000634518% change) linmin: converged after 3 iterations. iteration 107: trace = 2.532678232660709 (0.000122617% change) large trace change predicted (0.00036579%) linmin: converged after 7 iterations. iteration 108: trace = 2.532668970184757 (0.000365719% change) linmin: converged after 5 iterations. iteration 109: trace = 2.5326625880607 (0.000251992% change) linmin: converged after 3 iterations. iteration 110: trace = 2.532659590556519 (0.000118354% change) large trace change predicted (0.000484599%) linmin: converged after 3 iterations. iteration 111: trace = 2.532647313475453 (0.000484752% change) linmin: converged after 10 iterations. iteration 112: trace = 2.532643041072099 (0.000168693% change) large trace change predicted (0.00119252%) linmin: converged after 3 iterations. iteration 113: trace = 2.532612820652287 (0.00119324% change) linmin: converged after 3 iterations. iteration 114: trace = 2.532592046086573 (0.000820285% change) linmin: converged after 3 iterations. iteration 115: trace = 2.532581446501127 (0.000418528% change) large trace change predicted (0.00102425%) linmin: converged after 3 iterations. iteration 116: trace = 2.532555476505645 (0.00102544% change) linmin: converged after 3 iterations. iteration 117: trace = 2.532535088789213 (0.000805029% change) linmin: converged after 3 iterations. iteration 118: trace = 2.532524446015346 (0.000420243% change) linmin: converged after 6 iterations. iteration 119: trace = 2.532503170490255 (0.000840095% change) linmin: converged after 4 iterations. iteration 120: trace = 2.532499362408514 (0.000150368% change) large trace change predicted (0.000429286%) linmin: converged after 4 iterations. iteration 121: trace = 2.532488488638697 (0.00042937% change) linmin: converged after 3 iterations. iteration 122: trace = 2.532482069110036 (0.000253487% change) linmin: converged after 7 iterations. iteration 123: trace = 2.532479968273738 (8.29557e-05% change) large trace change predicted (0.000283652%) linmin: converged after 3 iterations. iteration 124: trace = 2.532472781286882 (0.000283793% change) linmin: converged after 3 iterations. iteration 125: trace = 2.532467453403485 (0.000210383% change) linmin: converged after 3 iterations. iteration 126: trace = 2.532465630899168 (7.19656e-05% change) large trace change predicted (0.000443994%) linmin: converged after 3 iterations. iteration 127: trace = 2.532454369363875 (0.000444688% change) linmin: converged after 3 iterations. iteration 128: trace = 2.532452533273903 (7.25024e-05% change) large trace change predicted (0.00033789%) linmin: converged after 7 iterations. iteration 129: trace = 2.532443971907508 (0.000338067% change) linmin: converged after 3 iterations. iteration 130: trace = 2.532434760005974 (0.000363756% change) linmin: converged after 3 iterations. iteration 131: trace = 2.532431818985799 (0.000116134% change) large trace change predicted (0.000512254%) linmin: converged after 4 iterations. iteration 132: trace = 2.532418827376971 (0.000513011% change) linmin: converged after 4 iterations. iteration 133: trace = 2.53241349546081 (0.000210547% change) large trace change predicted (0.000489508%) linmin: converged after 4 iterations. iteration 134: trace = 2.532401094202394 (0.000489702% change) linmin: converged after 4 iterations. iteration 135: trace = 2.532386160309443 (0.000589715% change) linmin: converged after 5 iterations. iteration 136: trace = 2.532381530256168 (0.000182834% change) linmin: converged after 4 iterations. iteration 137: trace = 2.532372862130214 (0.000342292% change) linmin: converged after 4 iterations. iteration 138: trace = 2.532367974423152 (0.000193009% change) linmin: converged after 3 iterations. iteration 139: trace = 2.532366678583778 (5.11711e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.5323656712027 (3.97802e-05% change) linmin: converged after 10 iterations. iteration 141: trace = 2.532363827393374 (7.28098e-05% change) linmin: converged after 5 iterations. iteration 142: trace = 2.532360999875571 (0.000111655% change) linmin: converged after 4 iterations. iteration 143: trace = 2.532359796989182 (4.75006e-05% change) large trace change predicted (0.000180444%) linmin: converged after 3 iterations. iteration 144: trace = 2.532355227940748 (0.000180427% change) linmin: converged after 4 iterations. iteration 145: trace = 2.532352211255246 (0.000119126% change) linmin: converged after 4 iterations. iteration 146: trace = 2.532349362290318 (0.000112503% change) large trace change predicted (0.000233004%) linmin: converged after 3 iterations. iteration 147: trace = 2.532343463407119 (0.000232941% change) linmin: converged after 4 iterations. iteration 148: trace = 2.532342115130471 (5.32423e-05% change) large trace change predicted (0.000204419%) linmin: converged after 3 iterations. iteration 149: trace = 2.532336939884447 (0.000204366% change) linmin: converged after 3 iterations. iteration 150: trace = 2.53233335996828 (0.000141368% change) linmin: converged after 3 iterations. iteration 151: trace = 2.532332046545821 (5.18661e-05% change) large trace change predicted (0.000151303%) linmin: converged after 3 iterations. iteration 152: trace = 2.532328217478827 (0.000151207% change) linmin: converged after 3 iterations. iteration 153: trace = 2.532325426354618 (0.00011022% change) linmin: converged after 4 iterations. iteration 154: trace = 2.532323591078181 (7.2474e-05% change) linmin: converged after 6 iterations. iteration 155: trace = 2.532320460236503 (0.000123635% change) linmin: converged after 3 iterations. iteration 156: trace = 2.532319684421553 (3.06365e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.53231850448854 (4.6595e-05% change) linmin: converged after 4 iterations. iteration 158: trace = 2.532316968026178 (6.06742e-05% change) linmin: converged after 5 iterations. iteration 159: trace = 2.532316667577852 (1.18646e-05% change) large trace change predicted (5.68741e-05%) linmin: converged after 5 iterations. iteration 160: trace = 2.532315227301718 (5.68758e-05% change) linmin: converged after 10 iterations. iteration 161: trace = 2.532314452183978 (3.06091e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.532313521937153 (3.67351e-05% change) large trace change predicted (8.54363e-05%) linmin: converged after 3 iterations. iteration 163: trace = 2.532311358502254 (8.54332e-05% change) linmin: converged after 9 iterations. iteration 164: trace = 2.532309834643512 (6.01766e-05% change) linmin: converged after 2 iterations. iteration 165: trace = 2.532308435807828 (5.52395e-05% change) large trace change predicted (0.000170648%) linmin: converged after 3 iterations. iteration 166: trace = 2.532304113761198 (0.000170676% change) linmin: converged after 4 iterations. iteration 167: trace = 2.532303035533439 (4.25789e-05% change) large trace change predicted (0.000112857%) linmin: converged after 4 iterations. iteration 168: trace = 2.532300177212031 (0.000112874% change) linmin: converged after 3 iterations. iteration 169: trace = 2.532297956753474 (8.76855e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.532297190420216 (3.02624e-05% change) large trace change predicted (6.61834e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.532295514663681 (6.61754e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.53229378477196 (6.83132e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.53229233940271 (5.70775e-05% change) linmin: converged after 3 iterations. iteration 174: trace = 2.532290202829727 (8.43731e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.532289883242941 (1.26205e-05% change) large trace change predicted (5.84582e-05%) linmin: converged after 3 iterations. iteration 176: trace = 2.532288402834586 (5.84613e-05% change) linmin: converged after 4 iterations. iteration 177: trace = 2.532287712160898 (2.72747e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.532287402678403 (1.22215e-05% change) large trace change predicted (4.26133e-05%) linmin: converged after 3 iterations. iteration 179: trace = 2.532286323488426 (4.26172e-05% change) linmin: converged after 3 iterations. iteration 180: trace = 2.532285455180427 (3.42895e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.532284512810181 (3.72142e-05% change) large trace change predicted (0.000114098%) linmin: converged after 3 iterations. iteration 182: trace = 2.532281620534402 (0.000114216% change) linmin: converged after 3 iterations. iteration 183: trace = 2.532280807946858 (3.20892e-05% change) large trace change predicted (0.000118636%) linmin: converged after 4 iterations. iteration 184: trace = 2.532277799570789 (0.000118801% change) linmin: converged after 4 iterations. iteration 185: trace = 2.532275098425584 (0.000106669% change) linmin: converged after 4 iterations. iteration 186: trace = 2.532274133967233 (3.80866e-05% change) large trace change predicted (0.00010206%) linmin: converged after 14 iterations. iteration 187: trace = 2.532271546585648 (0.000102176% change) linmin: converged after 4 iterations. iteration 188: trace = 2.532270062907924 (5.85908e-05% change) linmin: converged after 5 iterations. iteration 189: trace = 2.532268229544497 (7.24e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.532265425303058 (0.00011074% change) linmin: converged after 4 iterations. iteration 191: trace = 2.532264922135603 (1.98703e-05% change) large trace change predicted (5.89621e-05%) linmin: converged after 3 iterations. iteration 192: trace = 2.53226342902136 (5.89636e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.532262589103189 (3.31687e-05% change) linmin: converged after 5 iterations. iteration 194: trace = 2.532262136739078 (1.7864e-05% change) large trace change predicted (4.74429e-05%) linmin: converged after 4 iterations. iteration 195: trace = 2.53226093556069 (4.7435e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.532260514572423 (1.6625e-05% change) large trace change predicted (5.60629e-05%) linmin: converged after 4 iterations. iteration 197: trace = 2.532259095148723 (5.60536e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.532257795808561 (5.13115e-05% change) linmin: converged after 16 iterations. iteration 199: trace = 2.532257349839052 (1.76115e-05% change) large trace change predicted (5.00381e-05%) linmin: converged after 5 iterations. iteration 200: trace = 2.532256083315164 (5.00156e-05% change) linmin: converged after 4 iterations. iteration 201: trace = 2.53225471311544 (5.41099e-05% change) linmin: converged after 5 iterations. iteration 202: trace = 2.532254055080478 (2.59861e-05% change) large trace change predicted (7.93994e-05%) linmin: converged after 4 iterations. iteration 203: trace = 2.532252046538988 (7.93184e-05% change) linmin: converged after 4 iterations. iteration 204: trace = 2.532251132078102 (3.61126e-05% change) large trace change predicted (8.34618e-05%) linmin: converged after 5 iterations. iteration 205: trace = 2.532249020689084 (8.338e-05% change) linmin: converged after 14 iterations. iteration 206: trace = 2.532247674082002 (5.31783e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.532247142085046 (2.10089e-05% change) linmin: converged after 5 iterations. iteration 208: trace = 2.532246410139991 (2.8905e-05% change) linmin: converged after 4 iterations. iteration 209: trace = 2.532245665239943 (2.94166e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 2.532245345449662 (1.26287e-05% change) linmin: converged after 9 iterations. iteration 211: trace = 2.532244899809545 (1.75986e-05% change) linmin: converged after 2 iterations. iteration 212: trace = 2.532244695798735 (8.05652e-06% change) large trace change predicted (1.94182e-05%) linmin: converged after 3 iterations. iteration 213: trace = 2.532244204011934 (1.9421e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.53224352686151 (2.67411e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.532243327629037 (7.86782e-06% change) large trace change predicted (3.44148e-05%) linmin: converged after 3 iterations. iteration 216: trace = 2.532242455904719 (3.4425e-05% change) linmin: converged after 3 iterations. iteration 217: trace = 2.532241893073738 (2.22266e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.532241540381099 (1.39281e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.532240847812051 (2.735e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.532240502077886 (1.36533e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.532239869330575 (2.49876e-05% change) linmin: converged after 6 iterations. iteration 222: trace = 2.532239139337781 (2.8828e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.532238929368865 (8.29183e-06% change) large trace change predicted (2.61701e-05%) linmin: converged after 4 iterations. iteration 224: trace = 2.532238266463561 (2.61786e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.53223793257309 (1.31856e-05% change) linmin: converged after 4 iterations. iteration 226: trace = 2.532237643121048 (1.14307e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.53223733580369 (1.21362e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 2.532237055924255 (1.10527e-05% change) linmin: converged after 5 iterations. iteration 229: trace = 2.532236979449607 (3.02004e-06% change) large trace change predicted (1.51042e-05%) linmin: converged after 5 iterations. iteration 230: trace = 2.53223659699959 (1.51032e-05% change) linmin: converged after 12 iterations. iteration 231: trace = 2.532236530951999 (2.60827e-06% change) large trace change predicted (1.41746e-05%) linmin: converged after 5 iterations. iteration 232: trace = 2.532236172095298 (1.41715e-05% change) linmin: converged after 4 iterations. iteration 233: trace = 2.532235854177413 (1.25548e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.532235719088886 (5.33475e-06% change) large trace change predicted (1.82457e-05%) linmin: converged after 5 iterations. iteration 235: trace = 2.532235257295151 (1.82366e-05% change) linmin: converged after 4 iterations. iteration 236: trace = 2.532234707562479 (2.17094e-05% change) linmin: converged after 4 iterations. iteration 237: trace = 2.532234531669597 (6.94615e-06% change) large trace change predicted (1.71871e-05%) linmin: converged after 6 iterations. iteration 238: trace = 2.532234096642287 (1.71796e-05% change) linmin: converged after 6 iterations. iteration 239: trace = 2.532233937626063 (6.27968e-06% change) linmin: converged after 3 iterations. iteration 240: trace = 2.532233784020798 (6.066e-06% change) linmin: converged after 4 iterations. iteration 241: trace = 2.532233579794711 (8.06506e-06% change) linmin: converged after 10 iterations. iteration 242: trace = 2.532233484638245 (3.75781e-06% change) linmin: converged after 4 iterations. iteration 243: trace = 2.53223335469467 (5.13158e-06% change) linmin: converged after 10 iterations. iteration 244: trace = 2.53223313150978 (8.81376e-06% change) linmin: converged after 8 iterations. iteration 245: trace = 2.532233101193213 (1.19723e-06% change) large trace change predicted (6.51414e-06%) linmin: converged after 5 iterations. iteration 246: trace = 2.532232936256826 (6.51348e-06% change) linmin: converged after 6 iterations. iteration 247: trace = 2.532232878239224 (2.29116e-06% change) linmin: converged after 6 iterations. iteration 248: trace = 2.532232795963472 (3.24914e-06% change) linmin: converged after 3 iterations. iteration 249: trace = 2.532232690068687 (4.18187e-06% change) linmin: converged after 3 iterations. iteration 250: trace = 2.532232634361 (2.19994e-06% change) large trace change predicted (6.51456e-06%) linmin: converged after 4 iterations. iteration 251: trace = 2.532232469379299 (6.51527e-06% change) linmin: converged after 13 iterations. iteration 252: trace = 2.532232171498215 (1.17636e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.532232090922851 (3.18199e-06% change) large trace change predicted (1.30667e-05%) linmin: converged after 7 iterations. iteration 254: trace = 2.532231760069726 (1.30657e-05% change) linmin: converged after 9 iterations. iteration 255: trace = 2.532231539224154 (8.72138e-06% change) linmin: converged after 4 iterations. iteration 256: trace = 2.532231468457076 (2.79465e-06% change) large trace change predicted (5.60886e-06%) linmin: converged after 3 iterations. iteration 257: trace = 2.532231326428751 (5.60882e-06% change) linmin: converged after 2 iterations. iteration 258: trace = 2.532231207253 (4.70635e-06% change) linmin: converged after 17 iterations. iteration 259: trace = 2.532231177541257 (1.17334e-06% change) large trace change predicted (4.44584e-06%) linmin: converged after 16 iterations. iteration 260: trace = 2.532231064958411 (4.44599e-06% change) linmin: converged after 5 iterations. iteration 261: trace = 2.532230986862467 (3.08408e-06% change) linmin: converged after 12 iterations. iteration 262: trace = 2.5322309632879 (9.3098e-07% change) large trace change predicted (3.2661e-06%) linmin: converged after 7 iterations. iteration 263: trace = 2.532230880576092 (3.26636e-06% change) linmin: converged after 2 iterations. iteration 264: trace = 2.532230807471777 (2.88695e-06% change) linmin: converged after 6 iterations. iteration 265: trace = 2.532230779813869 (1.09223e-06% change) large trace change predicted (6.33723e-06%) linmin: converged after 3 iterations. iteration 266: trace = 2.532230619326621 (6.33778e-06% change) linmin: converged after 26 iterations. iteration 267: trace = 2.532230594093199 (9.9649e-07% change) large trace change predicted (6.44572e-06%) linmin: converged after 6 iterations. iteration 268: trace = 2.532230430863963 (6.44607e-06% change) linmin: converged after 5 iterations. iteration 269: trace = 2.53223033140914 (3.92756e-06% change) linmin: converged after 4 iterations. iteration 270: trace = 2.532230289677092 (1.64804e-06% change) large trace change predicted (6.77669e-06%) linmin: converged after 3 iterations. iteration 271: trace = 2.532230118058079 (6.77739e-06% change) linmin: converged after 9 iterations. iteration 272: trace = 2.532229989424859 (5.07984e-06% change) linmin: converged after 4 iterations. iteration 273: trace = 2.532229883447351 (4.18515e-06% change) linmin: converged after 4 iterations. iteration 274: trace = 2.532229738918634 (5.70757e-06% change) linmin: converged after 4 iterations. iteration 275: trace = 2.532229696400672 (1.67907e-06% change) large trace change predicted (3.58218e-06%) linmin: converged after 3 iterations. iteration 276: trace = 2.532229605686134 (3.5824e-06% change) linmin: converged after 19 iterations. iteration 277: trace = 2.532229549961051 (2.20063e-06% change) linmin: converged after 4 iterations. iteration 278: trace = 2.532229529455688 (8.09775e-07% change) large trace change predicted (4.12313e-06%) linmin: converged after 21 iterations. iteration 279: trace = 2.532229425049344 (4.1231e-06% change) resetting CG direction... linmin: converged after 17 iterations. iteration 280: trace = 2.532229362204813 (2.48179e-06% change) linmin: converged after 4 iterations. iteration 281: trace = 2.532229350153655 (4.75911e-07% change) large trace change predicted (1.67039e-06%) linmin: converged after 3 iterations. iteration 282: trace = 2.532229307855861 (1.67038e-06% change) linmin: converged after 17 iterations. iteration 283: trace = 2.532229254072699 (2.12395e-06% change) linmin: converged after 7 iterations. iteration 284: trace = 2.532229231474435 (8.92426e-07% change) large trace change predicted (3.1065e-06%) linmin: converged after 6 iterations. iteration 285: trace = 2.532229152810758 (3.1065e-06% change) linmin: converged after 4 iterations. iteration 286: trace = 2.532229109479215 (1.7112e-06% change) large trace change predicted (3.49746e-06%) linmin: converged after 6 iterations. iteration 287: trace = 2.532229020913346 (3.49755e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.532228933740109 (3.44255e-06% change) linmin: converged after 12 iterations. iteration 289: trace = 2.53222889713511 (1.44556e-06% change) linmin: converged after 8 iterations. iteration 290: trace = 2.532228825799343 (2.81711e-06% change) linmin: converged after 3 iterations. iteration 291: trace = 2.532228755625285 (2.77124e-06% change) linmin: converged after 6 iterations. iteration 292: trace = 2.532228736767303 (7.44719e-07% change) large trace change predicted (3.00507e-06%) linmin: converged after 7 iterations. iteration 293: trace = 2.532228660678591 (3.00481e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.532228623543513 (1.4665e-06% change) linmin: converged after 6 iterations. iteration 295: trace = 2.532228592945206 (1.20835e-06% change) linmin: converged after 4 iterations. iteration 296: trace = 2.53222856418664 (1.1357e-06% change) linmin: converged after 9 iterations. iteration 297: trace = 2.532228553659108 (4.15742e-07% change) large trace change predicted (9.04462e-07%) linmin: converged after 3 iterations. iteration 298: trace = 2.532228530756682 (9.04438e-07% change) linmin: converged after 4 iterations. iteration 299: trace = 2.532228493908192 (1.45518e-06% change) linmin: converged after 5 iterations. iteration 300: trace = 2.532228484872204 (3.56839e-07% change) large trace change predicted (1.54468e-06%) linmin: converged after 3 iterations. iteration 301: trace = 2.532228445757557 (1.54467e-06% change) linmin: converged after 8 iterations. iteration 302: trace = 2.532228398579518 (1.8631e-06% change) linmin: converged after 3 iterations. iteration 303: trace = 2.532228375061216 (9.28759e-07% change) large trace change predicted (2.40083e-06%) linmin: converged after 3 iterations. iteration 304: trace = 2.532228314269831 (2.40071e-06% change) linmin: converged after 15 iterations. iteration 305: trace = 2.532228278825191 (1.39974e-06% change) linmin: converged after 6 iterations. iteration 306: trace = 2.532228231187256 (1.88127e-06% change) linmin: converged after 8 iterations. iteration 307: trace = 2.532228155039439 (3.00715e-06% change) linmin: converged after 4 iterations. iteration 308: trace = 2.532228098603846 (2.22869e-06% change) linmin: converged after 16 iterations. iteration 309: trace = 2.532228090223597 (3.30944e-07% change) large trace change predicted (1.12239e-06%) linmin: converged after 4 iterations. iteration 310: trace = 2.532228061802467 (1.12238e-06% change) linmin: converged after 5 iterations. iteration 311: trace = 2.532228037889213 (9.44356e-07% change) linmin: converged after 4 iterations. iteration 312: trace = 2.532228030532646 (2.90518e-07% change) large trace change predicted (1.35133e-06%) linmin: converged after 8 iterations. iteration 313: trace = 2.532227996313136 (1.35136e-06% change) linmin: converged after 5 iterations. iteration 314: trace = 2.532227981769021 (5.7436e-07% change) large trace change predicted (1.58129e-06%) linmin: converged after 13 iterations. iteration 315: trace = 2.532227941725563 (1.58135e-06% change) linmin: converged after 4 iterations. iteration 316: trace = 2.532227904101084 (1.48583e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.532227887641151 (6.50018e-07% change) large trace change predicted (1.68426e-06%) linmin: converged after 5 iterations. iteration 318: trace = 2.532227844987628 (1.68443e-06% change) linmin: converged after 4 iterations. iteration 319: trace = 2.532227801022949 (1.73621e-06% change) linmin: converged after 3 iterations. iteration 320: trace = 2.532227786637012 (5.68114e-07% change) large trace change predicted (2.19015e-06%) linmin: converged after 4 iterations. iteration 321: trace = 2.532227731169816 (2.19045e-06% change) linmin: converged after 5 iterations. iteration 322: trace = 2.532227706764721 (9.6378e-07% change) large trace change predicted (1.98688e-06%) linmin: converged after 5 iterations. iteration 323: trace = 2.532227656443491 (1.98723e-06% change) linmin: converged after 3 iterations. iteration 324: trace = 2.532227600649281 (2.20336e-06% change) linmin: converged after 20 iterations. iteration 325: trace = 2.532227572868166 (1.0971e-06% change) linmin: converged after 4 iterations. iteration 326: trace = 2.532227558116004 (5.82576e-07% change) large trace change predicted (1.47491e-06%) linmin: converged after 6 iterations. iteration 327: trace = 2.532227520766182 (1.47498e-06% change) linmin: converged after 4 iterations. iteration 328: trace = 2.53222751507689 (2.24675e-07% change) large trace change predicted (1.10161e-06%) linmin: converged after 7 iterations. iteration 329: trace = 2.532227487181792 (1.1016e-06% change) linmin: converged after 4 iterations. iteration 330: trace = 2.532227467600348 (7.73289e-07% change) linmin: converged after 5 iterations. iteration 331: trace = 2.532227456960113 (4.20193e-07% change) large trace change predicted (1.04908e-06%) linmin: converged after 5 iterations. iteration 332: trace = 2.532227430395588 (1.04906e-06% change) linmin: converged after 6 iterations. iteration 333: trace = 2.532227394851205 (1.40368e-06% change) linmin: converged after 14 iterations. iteration 334: trace = 2.532227385067134 (3.86382e-07% change) large trace change predicted (2.53429e-06%) linmin: converged after 7 iterations. iteration 335: trace = 2.532227320902832 (2.53391e-06% change) linmin: converged after 5 iterations. iteration 336: trace = 2.532227305219125 (6.19364e-07% change) large trace change predicted (1.72038e-06%) linmin: converged after 17 iterations. iteration 337: trace = 2.532227261657944 (1.72027e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.532227223570452 (1.50411e-06% change) linmin: converged after 4 iterations. iteration 339: trace = 2.532227213967092 (3.79246e-07% change) large trace change predicted (1.16087e-06%) linmin: converged after 5 iterations. iteration 340: trace = 2.53222718457211 (1.16084e-06% change) linmin: converged after 5 iterations. iteration 341: trace = 2.532227156275118 (1.11747e-06% change) linmin: converged after 9 iterations. iteration 342: trace = 2.532227148450816 (3.08989e-07% change) large trace change predicted (9.66064e-07%) linmin: converged after 5 iterations. iteration 343: trace = 2.532227123988557 (9.66037e-07% change) linmin: converged after 5 iterations. iteration 344: trace = 2.532227107010383 (6.70484e-07% change) linmin: converged after 4 iterations. iteration 345: trace = 2.532227095890339 (4.39141e-07% change) linmin: converged after 8 iterations. iteration 346: trace = 2.532227080349761 (6.13712e-07% change) linmin: converged after 4 iterations. iteration 347: trace = 2.532227076250968 (1.61865e-07% change) linmin: converged after 2 iterations. iteration 348: trace = 2.532227068112935 (3.21378e-07% change) large trace change predicted (8.70544e-07%) linmin: converged after 9 iterations. iteration 349: trace = 2.532227046068919 (8.70539e-07% change) resetting CG direction... linmin: converged after 6 iterations. iteration 350: trace = 2.532227041253952 (1.90148e-07% change) large trace change predicted (5.24462e-07%) linmin: converged after 3 iterations. iteration 351: trace = 2.532227027973468 (5.24459e-07% change) linmin: converged after 4 iterations. iteration 352: trace = 2.532227020012078 (3.14403e-07% change) linmin: converged after 3 iterations. iteration 353: trace = 2.532227015957442 (1.60121e-07% change) large trace change predicted (4.28601e-07%) linmin: converged after 7 iterations. iteration 354: trace = 2.532227005104187 (4.28605e-07% change) linmin: converged after 13 iterations. iteration 355: trace = 2.532226996652225 (3.33776e-07% change) linmin: converged after 8 iterations. iteration 356: trace = 2.532226987561438 (3.59004e-07% change) linmin: converged after 8 iterations. iteration 357: trace = 2.532226969413104 (7.16695e-07% change) linmin: converged after 4 iterations. iteration 358: trace = 2.532226965678333 (1.4749e-07% change) large trace change predicted (5.70213e-07%) linmin: converged after 11 iterations. iteration 359: trace = 2.532226951238592 (5.70239e-07% change) linmin: converged after 4 iterations. iteration 360: trace = 2.532226936960811 (5.63843e-07% change) linmin: converged after 21 iterations. iteration 361: trace = 2.53222693253943 (1.74604e-07% change) large trace change predicted (7.64604e-07%) linmin: converged after 5 iterations. iteration 362: trace = 2.532226913176651 (7.64654e-07% change) linmin: converged after 2 iterations. iteration 363: trace = 2.532226900874408 (4.85827e-07% change) linmin: converged after 7 iterations. iteration 364: trace = 2.532226889402457 (4.53038e-07% change) linmin: converged after 6 iterations. iteration 365: trace = 2.532226871634764 (7.01663e-07% change) linmin: converged after 15 iterations. iteration 366: trace = 2.532226865149388 (2.56114e-07% change) linmin: converged after 4 iterations. iteration 367: trace = 2.532226858083303 (2.79046e-07% change) linmin: converged after 3 iterations. iteration 368: trace = 2.532226849760441 (3.28678e-07% change) linmin: converged after 4 iterations. iteration 369: trace = 2.532226846290662 (1.37025e-07% change) linmin: converged after 10 iterations. iteration 370: trace = 2.532226840160222 (2.42097e-07% change) linmin: converged after 4 iterations. iteration 371: trace = 2.53222683497562 (2.04745e-07% change) linmin: converged after 4 iterations. iteration 372: trace = 2.532226831176658 (1.50025e-07% change) linmin: converged after 22 iterations. iteration 373: trace = 2.532226823812367 (2.90823e-07% change) linmin: converged after 4 iterations. iteration 374: trace = 2.532226820168667 (1.43893e-07% change) linmin: converged after 2 iterations. iteration 375: trace = 2.532226817017566 (1.2444e-07% change) large trace change predicted (4.75244e-07%) linmin: converged after 4 iterations. iteration 376: trace = 2.532226804984404 (4.75201e-07% change) linmin: converged after 9 iterations. iteration 377: trace = 2.532226793615652 (4.48963e-07% change) linmin: converged after 4 iterations. iteration 378: trace = 2.532226791481499 (8.42797e-08% change) large trace change predicted (3.01751e-07%) linmin: converged after 13 iterations. iteration 379: trace = 2.532226783840986 (3.01731e-07% change) linmin: converged after 5 iterations. iteration 380: trace = 2.53222677825189 (2.20719e-07% change) linmin: converged after 11 iterations. iteration 381: trace = 2.532226776198825 (8.10774e-08% change) large trace change predicted (3.09645e-07%) linmin: converged after 4 iterations. iteration 382: trace = 2.532226768358376 (3.09627e-07% change) linmin: converged after 4 iterations. iteration 383: trace = 2.532226764050359 (1.70128e-07% change) linmin: converged after 6 iterations. iteration 384: trace = 2.532226761490044 (1.01109e-07% change) large trace change predicted (2.35328e-07%) linmin: converged after 3 iterations. iteration 385: trace = 2.532226755531154 (2.35322e-07% change) linmin: converged after 4 iterations. iteration 386: trace = 2.532226754606565 (3.65129e-08% change) large trace change predicted (1.73932e-07%) linmin: converged after 13 iterations. iteration 387: trace = 2.532226750202272 (1.7393e-07% change) linmin: converged after 4 iterations. iteration 388: trace = 2.532226748583039 (6.3945e-08% change) linmin: converged after 6 iterations. iteration 389: trace = 2.532226746769836 (7.16051e-08% change) linmin: converged after 4 iterations. iteration 390: trace = 2.532226743674155 (1.22251e-07% change) linmin: converged after 7 iterations. iteration 391: trace = 2.532226742822863 (3.36183e-08% change) large trace change predicted (1.553e-07%) linmin: converged after 7 iterations. iteration 392: trace = 2.532226738890259 (1.55302e-07% change) linmin: converged after 12 iterations. iteration 393: trace = 2.532226733157526 (2.26391e-07% change) linmin: converged after 5 iterations. iteration 394: trace = 2.532226731881656 (5.03853e-08% change) large trace change predicted (2.38712e-07%) linmin: converged after 16 iterations. iteration 395: trace = 2.532226725836817 (2.38716e-07% change) linmin: converged after 10 iterations. iteration 396: trace = 2.532226721303406 (1.79029e-07% change) linmin: converged after 3 iterations. iteration 397: trace = 2.532226720021591 (5.06201e-08% change) large trace change predicted (1.64248e-07%) linmin: converged after 7 iterations. iteration 398: trace = 2.53222671586235 (1.64252e-07% change) linmin: converged after 18 iterations. iteration 399: trace = 2.532226712848004 (1.19039e-07% change) linmin: converged after 10 iterations. iteration 400: trace = 2.532226711845361 (3.95953e-08% change) large trace change predicted (8.97363e-08%) linmin: converged after 13 iterations. iteration 401: trace = 2.532226709573011 (8.97372e-08% change) linmin: converged after 8 iterations. iteration 402: trace = 2.532226708190714 (5.45882e-08% change) linmin: converged after 4 iterations. iteration 403: trace = 2.532226707175363 (4.00972e-08% change) linmin: converged after 6 iterations. iteration 404: trace = 2.532226705422322 (6.92292e-08% change) linmin: converged after 4 iterations. iteration 405: trace = 2.532226703386372 (8.04016e-08% change) linmin: converged after 15 iterations. iteration 406: trace = 2.532226702543767 (3.32753e-08% change) large trace change predicted (1.27052e-07%) linmin: converged after 7 iterations. iteration 407: trace = 2.532226699326492 (1.27053e-07% change) linmin: converged after 7 iterations. iteration 408: trace = 2.53222669796431 (5.37939e-08% change) linmin: converged after 7 iterations. iteration 409: trace = 2.53222669554264 (9.5634e-08% change) linmin: converged after 6 iterations. iteration 410: trace = 2.53222669284764 (1.06428e-07% change) linmin: converged after 11 iterations. iteration 411: trace = 2.532226691335092 (5.97319e-08% change) large trace change predicted (1.24133e-07%) linmin: converged after 4 iterations. iteration 412: trace = 2.532226688191721 (1.24135e-07% change) linmin: converged after 14 iterations. iteration 413: trace = 2.532226684404653 (1.49555e-07% change) linmin: converged after 4 iterations. iteration 414: trace = 2.532226683623242 (3.08587e-08% change) large trace change predicted (1.27284e-07%) linmin: converged after 5 iterations. iteration 415: trace = 2.532226680400108 (1.27285e-07% change) linmin: converged after 4 iterations. iteration 416: trace = 2.532226679110584 (5.09245e-08% change) linmin: converged after 8 iterations. iteration 417: trace = 2.532226677977577 (4.47435e-08% change) linmin: converged after 3 iterations. iteration 418: trace = 2.532226676546075 (5.65314e-08% change) linmin: converged after 4 iterations. iteration 419: trace = 2.53222667592058 (2.47014e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.532226675493463 (1.68673e-08% change) large trace change predicted (3.87553e-08%) linmin: converged after 6 iterations. iteration 421: trace = 2.532226674512091 (3.87553e-08% change) linmin: converged after 6 iterations. iteration 422: trace = 2.532226673922648 (2.32776e-08% change) linmin: converged after 4 iterations. iteration 423: trace = 2.532226672942695 (3.86992e-08% change) large trace change predicted (8.20289e-08%) linmin: converged after 4 iterations. iteration 424: trace = 2.53222667086553 (8.20292e-08% change) linmin: converged after 4 iterations. iteration 425: trace = 2.532226670389969 (1.87803e-08% change) large trace change predicted (9.7365e-08%) linmin: converged after 4 iterations. iteration 426: trace = 2.532226667924473 (9.73648e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.53222666650955 (5.58766e-08% change) linmin: converged after 6 iterations. iteration 428: trace = 2.532226665027508 (5.85272e-08% change) linmin: converged after 4 iterations. iteration 429: trace = 2.532226663124199 (7.51635e-08% change) linmin: converged after 7 iterations. iteration 430: trace = 2.532226662147229 (3.85814e-08% change) linmin: converged after 7 iterations. iteration 431: trace = 2.532226660826446 (5.2159e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.532226659094629 (6.83911e-08% change) linmin: converged after 5 iterations. iteration 433: trace = 2.532226658647822 (1.76448e-08% change) large trace change predicted (5.71739e-08%) linmin: converged after 4 iterations. iteration 434: trace = 2.532226657200071 (5.7173e-08% change) linmin: converged after 10 iterations. iteration 435: trace = 2.532226655897789 (5.14283e-08% change) linmin: converged after 4 iterations. iteration 436: trace = 2.532226655650127 (9.7804e-09% change) large trace change predicted (2.04904e-08%) linmin: converged after 16 iterations. iteration 437: trace = 2.53222665513126 (2.04906e-08% change) linmin: converged after 4 iterations. iteration 438: trace = 2.532226654220309 (3.59743e-08% change) linmin: converged after 4 iterations. iteration 439: trace = 2.532226654016821 (8.03593e-09% change) large trace change predicted (4.26703e-08%) linmin: converged after 24 iterations. iteration 440: trace = 2.532226652936318 (4.26701e-08% change) linmin: converged after 7 iterations. iteration 441: trace = 2.532226652307979 (2.48137e-08% change) linmin: converged after 22 iterations. iteration 442: trace = 2.532226651293117 (4.00779e-08% change) linmin: converged after 7 iterations. iteration 443: trace = 2.532226649812017 (5.849e-08% change) linmin: converged after 6 iterations. iteration 444: trace = 2.532226648554367 (4.96658e-08% change) linmin: converged after 12 iterations. iteration 445: trace = 2.532226647525179 (4.06436e-08% change) linmin: converged after 8 iterations. iteration 446: trace = 2.532226645471285 (8.11102e-08% change) linmin: converged after 3 iterations. iteration 447: trace = 2.532226644235352 (4.88082e-08% change) linmin: converged after 7 iterations. iteration 448: trace = 2.532226643803798 (1.70424e-08% change) large trace change predicted (4.14197e-08%) linmin: converged after 5 iterations. iteration 449: trace = 2.532226642754956 (4.14197e-08% change) linmin: converged after 15 iterations. iteration 450: trace = 2.532226642082326 (2.65628e-08% change) linmin: converged after 19 iterations. iteration 451: trace = 2.532226641716459 (1.44484e-08% change) large trace change predicted (3.51394e-08%) linmin: converged after 4 iterations. iteration 452: trace = 2.532226640826662 (3.51389e-08% change) linmin: converged after 4 iterations. iteration 453: trace = 2.532226640135402 (2.72985e-08% change) linmin: converged after 5 iterations. iteration 454: trace = 2.532226639517137 (2.44159e-08% change) linmin: converged after 4 iterations. iteration 455: trace = 2.532226638282867 (4.87425e-08% change) linmin: converged after 4 iterations. iteration 456: trace = 2.532226638026622 (1.01193e-08% change) large trace change predicted (3.28326e-08%) linmin: converged after 4 iterations. iteration 457: trace = 2.532226637195224 (3.28327e-08% change) linmin: converged after 4 iterations. iteration 458: trace = 2.532226636264558 (3.67529e-08% change) linmin: converged after 8 iterations. iteration 459: trace = 2.532226635688844 (2.27355e-08% change) large trace change predicted (6.28703e-08%) linmin: converged after 16 iterations. iteration 460: trace = 2.532226634096801 (6.28712e-08% change) linmin: converged after 6 iterations. iteration 461: trace = 2.532226633566544 (2.09404e-08% change) large trace change predicted (6.11319e-08%) linmin: converged after 9 iterations. iteration 462: trace = 2.532226632018534 (6.11324e-08% change) linmin: converged after 5 iterations. iteration 463: trace = 2.532226630398428 (6.39795e-08% change) linmin: converged after 6 iterations. iteration 464: trace = 2.532226629990468 (1.61107e-08% change) large trace change predicted (3.77254e-08%) linmin: converged after 12 iterations. iteration 465: trace = 2.53222662903518 (3.77252e-08% change) linmin: converged after 5 iterations. iteration 466: trace = 2.532226628138766 (3.54002e-08% change) linmin: converged after 4 iterations. iteration 467: trace = 2.532226627861705 (1.09414e-08% change) large trace change predicted (2.94572e-08%) linmin: converged after 4 iterations. iteration 468: trace = 2.532226627115773 (2.94576e-08% change) linmin: converged after 4 iterations. iteration 469: trace = 2.532226626456777 (2.60244e-08% change) linmin: converged after 4 iterations. iteration 470: trace = 2.532226626319011 (5.44048e-09% change) large trace change predicted (2.74546e-08%) linmin: converged after 4 iterations. iteration 471: trace = 2.532226625623806 (2.74543e-08% change) linmin: converged after 4 iterations. iteration 472: trace = 2.53222662505919 (2.22972e-08% change) linmin: converged after 4 iterations. iteration 473: trace = 2.532226624813997 (9.68289e-09% change) large trace change predicted (3.7178e-08%) linmin: converged after 4 iterations. iteration 474: trace = 2.532226623872571 (3.71778e-08% change) linmin: converged after 13 iterations. iteration 475: trace = 2.532226622403658 (5.80087e-08% change) linmin: converged after 24 iterations. iteration 476: trace = 2.532226622168948 (9.26892e-09% change) large trace change predicted (4.57674e-08%) linmin: converged after 16 iterations. iteration 477: trace = 2.53222662101005 (4.5766e-08% change) linmin: converged after 4 iterations. iteration 478: trace = 2.532226620368379 (2.53402e-08% change) linmin: converged after 2 iterations. iteration 479: trace = 2.532226620116673 (9.9401e-09% change) large trace change predicted (3.61064e-08%) linmin: converged after 4 iterations. iteration 480: trace = 2.532226619202394 (3.61057e-08% change) linmin: converged after 6 iterations. iteration 481: trace = 2.532226618399125 (3.17218e-08% change) linmin: converged after 4 iterations. iteration 482: trace = 2.532226618157492 (9.54233e-09% change) large trace change predicted (2.0967e-08%) linmin: converged after 4 iterations. iteration 483: trace = 2.532226617626567 (2.09667e-08% change) linmin: converged after 4 iterations. iteration 484: trace = 2.532226617416627 (8.29073e-09% change) linmin: converged after 18 iterations. iteration 485: trace = 2.532226617137782 (1.10118e-08% change) linmin: converged after 13 iterations. iteration 486: trace = 2.532226616844827 (1.15691e-08% change) linmin: converged after 7 iterations. iteration 487: trace = 2.532226616733817 (4.38387e-09% change) large trace change predicted (9.37229e-09%) linmin: converged after 18 iterations. iteration 488: trace = 2.532226616496495 (9.37207e-09% change) large trace change predicted (3.00344e-08%) linmin: converged after 8 iterations. iteration 489: trace = 2.532226615735953 (3.00345e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.532226615443588 (1.15458e-08% change) linmin: converged after 2 iterations. iteration 491: trace = 2.532226615044469 (1.57616e-08% change) linmin: converged after 6 iterations. iteration 492: trace = 2.53222661497231 (2.84965e-09% change) large trace change predicted (8.95187e-09%) linmin: converged after 6 iterations. iteration 493: trace = 2.53222661474563 (8.95181e-09% change) linmin: converged after 3 iterations. iteration 494: trace = 2.53222661453013 (8.5103e-09% change) linmin: converged after 14 iterations. iteration 495: trace = 2.532226614447989 (3.24381e-09% change) large trace change predicted (1.44164e-08%) linmin: converged after 4 iterations. iteration 496: trace = 2.532226614082933 (1.44164e-08% change) linmin: converged after 4 iterations. iteration 497: trace = 2.532226613817419 (1.04854e-08% change) linmin: converged after 4 iterations. iteration 498: trace = 2.532226613634143 (7.23776e-09% change) large trace change predicted (1.99518e-08%) linmin: converged after 4 iterations. iteration 499: trace = 2.532226613128916 (1.99519e-08% change) linmin: converged after 4 iterations. iteration 500: trace = 2.532226612863586 (1.04781e-08% change) linmin: converged after 6 iterations. iteration 501: trace = 2.532226612570639 (1.15688e-08% change) linmin: converged after 4 iterations. iteration 502: trace = 2.532226612226721 (1.35816e-08% change) linmin: converged after 8 iterations. iteration 503: trace = 2.532226612029891 (7.77302e-09% change) linmin: converged after 5 iterations. iteration 504: trace = 2.532226611670453 (1.41945e-08% change) linmin: converged after 6 iterations. iteration 505: trace = 2.532226611196819 (1.87043e-08% change) linmin: converged after 20 iterations. iteration 506: trace = 2.53222661112223 (2.94558e-09% change) large trace change predicted (1.06021e-08%) linmin: converged after 6 iterations. iteration 507: trace = 2.532226610853749 (1.06026e-08% change) linmin: converged after 4 iterations. iteration 508: trace = 2.53222661068053 (6.84059e-09% change) linmin: converged after 17 iterations. iteration 509: trace = 2.532226610616374 (2.53357e-09% change) large trace change predicted (8.07521e-09%) linmin: converged after 4 iterations. iteration 510: trace = 2.532226610411894 (8.07509e-09% change) linmin: converged after 4 iterations. iteration 511: trace = 2.53222661031714 (3.74196e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.532226610182449 (5.31905e-09% change) linmin: converged after 4 iterations. iteration 513: trace = 2.532226609970626 (8.36509e-09% change) linmin: converged after 4 iterations. iteration 514: trace = 2.532226609857379 (4.47222e-09% change) linmin: converged after 5 iterations. iteration 515: trace = 2.532226609760135 (3.84027e-09% change) large trace change predicted (9.47579e-09%) linmin: converged after 4 iterations. iteration 516: trace = 2.532226609520188 (9.47574e-09% change) linmin: converged after 9 iterations. iteration 517: trace = 2.532226609287503 (9.18895e-09% change) linmin: converged after 4 iterations. iteration 518: trace = 2.532226609214028 (2.90158e-09% change) large trace change predicted (1.03335e-08%) linmin: converged after 4 iterations. iteration 519: trace = 2.53222660895237 (1.03331e-08% change) linmin: converged after 4 iterations. iteration 520: trace = 2.532226608716047 (9.33258e-09% change) linmin: converged after 5 iterations. iteration 521: trace = 2.532226608640769 (2.9728e-09% change) linmin: converged after 4 iterations. iteration 522: trace = 2.532226608517133 (4.88251e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.532226608355188 (6.39536e-09% change) linmin: converged after 18 iterations. iteration 524: trace = 2.5322266083288 (1.0421e-09% change) large trace change predicted (6.24975e-09%) linmin: converged after 4 iterations. iteration 525: trace = 2.532226608170548 (6.24951e-09% change) linmin: converged after 25 iterations. iteration 526: trace = 2.532226608136921 (1.32797e-09% change) large trace change predicted (3.9053e-09%) linmin: converged after 5 iterations. iteration 527: trace = 2.532226608038034 (3.90513e-09% change) linmin: converged after 4 iterations. iteration 528: trace = 2.532226607956137 (3.23421e-09% change) linmin: converged after 4 iterations. iteration 529: trace = 2.532226607927542 (1.12922e-09% change) large trace change predicted (3.80954e-09%) linmin: converged after 24 iterations. iteration 530: trace = 2.532226607831084 (3.80921e-09% change) linmin: converged after 7 iterations. iteration 531: trace = 2.532226607755488 (2.98536e-09% change) linmin: converged after 5 iterations. iteration 532: trace = 2.532226607721565 (1.33965e-09% change) large trace change predicted (4.88725e-09%) linmin: converged after 3 iterations. iteration 533: trace = 2.532226607597808 (4.8873e-09% change) linmin: converged after 5 iterations. iteration 534: trace = 2.532226607522797 (2.96224e-09% change) linmin: converged after 26 iterations. iteration 535: trace = 2.53222660742734 (3.7697e-09% change) linmin: converged after 4 iterations. iteration 536: trace = 2.532226607285777 (5.59043e-09% change) linmin: converged after 4 iterations. iteration 537: trace = 2.532226607195929 (3.5482e-09% change) linmin: converged after 3 iterations. iteration 538: trace = 2.532226607145792 (1.97997e-09% change) linmin: converged after 25 iterations. iteration 539: trace = 2.532226607053331 (3.65136e-09% change) linmin: converged after 5 iterations. iteration 540: trace = 2.532226607017517 (1.41431e-09% change) linmin: converged after 4 iterations. iteration 541: trace = 2.532226606980256 (1.47148e-09% change) linmin: converged after 21 iterations. iteration 542: trace = 2.53222660692834 (2.0502e-09% change) linmin: converged after 7 iterations. iteration 543: trace = 2.532226606900785 (1.08818e-09% change) linmin: converged after 5 iterations. iteration 544: trace = 2.532226606886538 (5.6262e-10% change) large trace change predicted (2.71182e-09%) linmin: converged after 7 iterations. iteration 545: trace = 2.532226606817869 (2.71179e-09% change) linmin: converged after 3 iterations. iteration 546: trace = 2.532226606798261 (7.74368e-10% change) large trace change predicted (2.57727e-09%) linmin: converged after 4 iterations. iteration 547: trace = 2.532226606732987 (2.57771e-09% change) linmin: converged after 22 iterations. iteration 548: trace = 2.532226606654048 (3.11736e-09% change) linmin: converged after 4 iterations. iteration 549: trace = 2.53222660662761 (1.04409e-09% change) large trace change predicted (2.53059e-09%) linmin: converged after 6 iterations. iteration 550: trace = 2.532226606563538 (2.53024e-09% change) linmin: converged after 11 iterations. iteration 551: trace = 2.532226606482841 (3.18679e-09% change) linmin: converged after 4 iterations. iteration 552: trace = 2.532226606459311 (9.29224e-10% change) large trace change predicted (2.58732e-09%) linmin: converged after 5 iterations. iteration 553: trace = 2.532226606393785 (2.58769e-09% change) linmin: converged after 15 iterations. iteration 554: trace = 2.532226606306193 (3.45908e-09% change) linmin: converged after 10 iterations. iteration 555: trace = 2.532226606290174 (6.3263e-10% change) large trace change predicted (2.65653e-09%) linmin: converged after 18 iterations. iteration 556: trace = 2.532226606222913 (2.65618e-09% change) linmin: converged after 6 iterations. iteration 557: trace = 2.532226606201254 (8.55356e-10% change) linmin: converged after 4 iterations. iteration 558: trace = 2.532226606178723 (8.89765e-10% change) linmin: converged after 6 iterations. iteration 559: trace = 2.532226606152547 (1.0337e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.532226606138769 (5.44118e-10% change) linmin: converged after 6 iterations. iteration 561: trace = 2.532226606124821 (5.50818e-10% change) large trace change predicted (1.15268e-09%) linmin: converged after 12 iterations. iteration 562: trace = 2.532226606095637 (1.15249e-09% change) linmin: converged after 21 iterations. iteration 563: trace = 2.532226606077214 (7.27561e-10% change) large trace change predicted (1.59868e-09%) linmin: converged after 9 iterations. iteration 564: trace = 2.532226606036726 (1.59891e-09% change) linmin: converged after 4 iterations. iteration 565: trace = 2.532226605987478 (1.94484e-09% change) linmin: converged after 3 iterations. iteration 566: trace = 2.532226605965412 (8.71421e-10% change) large trace change predicted (2.07106e-09%) linmin: converged after 4 iterations. iteration 567: trace = 2.532226605912968 (2.07106e-09% change) linmin: converged after 2 iterations. iteration 568: trace = 2.532226605884515 (1.12363e-09% change) linmin: converged after 4 iterations. iteration 569: trace = 2.532226605847781 (1.45065e-09% change) linmin: converged after 3 iterations. iteration 570: trace = 2.532226605794655 (2.09799e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.532226605780342 (5.65251e-10% change) large trace change predicted (1.6543e-09%) linmin: converged after 4 iterations. iteration 572: trace = 2.532226605738452 (1.65428e-09% change) linmin: converged after 3 iterations. iteration 573: trace = 2.532226605697139 (1.63148e-09% change) linmin: converged after 6 iterations. iteration 574: trace = 2.532226605689739 (2.92227e-10% change) large trace change predicted (1.28387e-09%) linmin: converged after 18 iterations. iteration 575: trace = 2.532226605657222 (1.28415e-09% change) linmin: converged after 4 iterations. iteration 576: trace = 2.532226605642729 (5.72354e-10% change) linmin: converged after 6 iterations. iteration 577: trace = 2.532226605636149 (2.59836e-10% change) large trace change predicted (1.03721e-09%) linmin: converged after 18 iterations. iteration 578: trace = 2.532226605609885 (1.0372e-09% change) linmin: converged after 5 iterations. iteration 579: trace = 2.532226605590671 (7.58742e-10% change) linmin: converged after 3 iterations. iteration 580: trace = 2.532226605580481 (4.02433e-10% change) large trace change predicted (1.25496e-09%) linmin: converged after 6 iterations. iteration 581: trace = 2.532226605548697 (1.25516e-09% change) linmin: converged after 4 iterations. iteration 582: trace = 2.532226605521011 (1.09336e-09% change) linmin: converged after 6 iterations. iteration 583: trace = 2.532226605509007 (4.74056e-10% change) large trace change predicted (2.23151e-09%) linmin: converged after 3 iterations. iteration 584: trace = 2.5322266054525 (2.23151e-09% change) linmin: converged after 3 iterations. iteration 585: trace = 2.532226605418284 (1.35125e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.532226605390208 (1.10874e-09% change) linmin: converged after 4 iterations. iteration 587: trace = 2.532226605345729 (1.75652e-09% change) linmin: converged after 4 iterations. iteration 588: trace = 2.532226605334294 (4.51556e-10% change) large trace change predicted (9.47294e-10%) linmin: converged after 9 iterations. iteration 589: trace = 2.532226605310306 (9.47323e-10% change) linmin: converged after 4 iterations. iteration 590: trace = 2.532226605289418 (8.24876e-10% change) linmin: converged after 8 iterations. iteration 591: trace = 2.532226605262301 (1.07089e-09% change) linmin: converged after 3 iterations. iteration 592: trace = 2.532226605256451 (2.31021e-10% change) large trace change predicted (1.16166e-09%) linmin: converged after 2 iterations. iteration 593: trace = 2.532226605227016 (1.1624e-09% change) linmin: converged after 4 iterations. iteration 594: trace = 2.532226605203669 (9.21981e-10% change) linmin: converged after 4 iterations. iteration 595: trace = 2.5322266051893 (5.67461e-10% change) linmin: converged after 18 iterations. iteration 596: trace = 2.532226605167502 (8.60846e-10% change) linmin: converged after 4 iterations. iteration 597: trace = 2.532226605147977 (7.71036e-10% change) linmin: converged after 7 iterations. iteration 598: trace = 2.53222660512347 (9.67824e-10% change) linmin: converged after 25 iterations. iteration 599: trace = 2.532226605080746 (1.68718e-09% change) linmin: converged after 22 iterations. iteration 600: trace = 2.532226605050802 (1.18252e-09% change) linmin: converged after 2 iterations. iteration 601: trace = 2.532226605034923 (6.27106e-10% change) large trace change predicted (1.46982e-09%) linmin: converged after 5 iterations. iteration 602: trace = 2.532226604997704 (1.46978e-09% change) linmin: converged after 4 iterations. iteration 603: trace = 2.53222660498625 (4.52345e-10% change) large trace change predicted (1.13497e-09%) linmin: converged after 6 iterations. iteration 604: trace = 2.532226604957511 (1.13494e-09% change) linmin: converged after 10 iterations. iteration 605: trace = 2.532226604934842 (8.95202e-10% change) linmin: converged after 7 iterations. iteration 606: trace = 2.532226604927949 (2.72217e-10% change) large trace change predicted (1.02475e-09%) linmin: converged after 16 iterations. iteration 607: trace = 2.532226604902005 (1.02456e-09% change) linmin: converged after 6 iterations. iteration 608: trace = 2.532226604883729 (7.21756e-10% change) linmin: converged after 8 iterations. iteration 609: trace = 2.532226604880142 (1.4165e-10% change) large trace change predicted (5.91534e-10%) linmin: converged after 10 iterations. iteration 610: trace = 2.532226604865174 (5.91101e-10% change) linmin: converged after 4 iterations. iteration 611: trace = 2.532226604850425 (5.82455e-10% change) linmin: converged after 17 iterations. iteration 612: trace = 2.532226604833139 (6.82612e-10% change) linmin: converged after 6 iterations. iteration 613: trace = 2.532226604825081 (3.18218e-10% change) large trace change predicted (1.41162e-09%) linmin: converged after 4 iterations. iteration 614: trace = 2.532226604789335 (1.41165e-09% change) linmin: converged after 6 iterations. iteration 615: trace = 2.532226604780225 (3.59764e-10% change) large trace change predicted (1.05301e-09%) linmin: converged after 4 iterations. iteration 616: trace = 2.532226604753558 (1.05313e-09% change) linmin: converged after 5 iterations. iteration 617: trace = 2.532226604734905 (7.3661e-10% change) linmin: converged after 5 iterations. iteration 618: trace = 2.532226604720409 (5.72477e-10% change) linmin: converged after 14 iterations. iteration 619: trace = 2.532226604707265 (5.19057e-10% change) linmin: converged after 2 iterations. iteration 620: trace = 2.532226604685252 (8.69316e-10% change) linmin: converged after 4 iterations. iteration 621: trace = 2.532226604680823 (1.74901e-10% change) large trace change predicted (5.75452e-10%) linmin: converged after 16 iterations. iteration 622: trace = 2.53222660466625 (5.75475e-10% change) linmin: converged after 8 iterations. iteration 623: trace = 2.532226604657313 (3.5296e-10% change) linmin: converged after 2 iterations. iteration 624: trace = 2.53222660465038 (2.73778e-10% change) linmin: converged after 4 iterations. iteration 625: trace = 2.532226604642506 (3.1094e-10% change) linmin: converged after 16 iterations. iteration 626: trace = 2.532226604635102 (2.92403e-10% change) linmin: converged after 6 iterations. iteration 627: trace = 2.532226604633134 (7.77087e-11% change) Finished solving for bands 1 to 10 after 627 iterations. tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154 elapsed time for k point: 5.28453516960144 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.553206221680581 (2.55578% change) linmin: converged after 6 iterations. iteration 2: trace = 2.48891356078405 (2.55022% change) linmin: converged after 4 iterations. iteration 3: trace = 2.465199503924426 (0.957348% change) linmin: converged after 5 iterations. iteration 4: trace = 2.46084310415172 (0.176872% change) large trace change predicted (0.419623%) linmin: converged after 4 iterations. iteration 5: trace = 2.450658583331204 (0.414721% change) linmin: converged after 4 iterations. iteration 6: trace = 2.447937491967235 (0.111097% change) linmin: converged after 5 iterations. iteration 7: trace = 2.445239403359288 (0.11028% change) linmin: converged after 4 iterations. iteration 8: trace = 2.442317561097169 (0.119562% change) linmin: converged after 4 iterations. iteration 9: trace = 2.44140925349742 (0.0371973% change) linmin: converged after 3 iterations. iteration 10: trace = 2.439907648651203 (0.0615246% change) linmin: converged after 4 iterations. iteration 11: trace = 2.43940342973242 (0.0206676% change) linmin: converged after 3 iterations. iteration 12: trace = 2.438989981088599 (0.0169502% change) linmin: converged after 3 iterations. iteration 13: trace = 2.438435780755584 (0.0227251% change) linmin: converged after 4 iterations. iteration 14: trace = 2.438281780471905 (0.00631574% change) large trace change predicted (0.0151055%) linmin: converged after 3 iterations. iteration 15: trace = 2.437911268206205 (0.0151968% change) linmin: converged after 3 iterations. iteration 16: trace = 2.437756509718134 (0.0063482% change) linmin: converged after 3 iterations. iteration 17: trace = 2.437475062818379 (0.011546% change) linmin: converged after 4 iterations. iteration 18: trace = 2.43703304641871 (0.0181358% change) linmin: converged after 4 iterations. iteration 19: trace = 2.436850985210067 (0.00747089% change) linmin: converged after 4 iterations. iteration 20: trace = 2.436522616304453 (0.013476% change) linmin: converged after 3 iterations. iteration 21: trace = 2.436395611582169 (0.00521268% change) large trace change predicted (0.0178794%) linmin: converged after 4 iterations. iteration 22: trace = 2.435954737440773 (0.018097% change) linmin: converged after 4 iterations. iteration 23: trace = 2.435746548033289 (0.00854689% change) linmin: converged after 4 iterations. iteration 24: trace = 2.435488750587958 (0.0105845% change) linmin: converged after 4 iterations. iteration 25: trace = 2.435193460474172 (0.0121252% change) linmin: converged after 3 iterations. iteration 26: trace = 2.435111833144077 (0.00335204% change) large trace change predicted (0.0170021%) linmin: converged after 3 iterations. iteration 27: trace = 2.43469482985178 (0.0171261% change) linmin: converged after 3 iterations. iteration 28: trace = 2.434620996611131 (0.00303259% change) large trace change predicted (0.0100124%) linmin: converged after 4 iterations. iteration 29: trace = 2.434376912234995 (0.0100261% change) linmin: converged after 5 iterations. iteration 30: trace = 2.43419325187207 (0.00754474% change) linmin: converged after 3 iterations. iteration 31: trace = 2.434081322250106 (0.00459833% change) linmin: converged after 5 iterations. iteration 32: trace = 2.43391404623353 (0.00687248% change) linmin: converged after 3 iterations. iteration 33: trace = 2.433862509197497 (0.00211748% change) large trace change predicted (0.00703875%) linmin: converged after 3 iterations. iteration 34: trace = 2.433691154478418 (0.00704069% change) linmin: converged after 4 iterations. iteration 35: trace = 2.433624337505446 (0.00274554% change) large trace change predicted (0.00707874%) linmin: converged after 3 iterations. iteration 36: trace = 2.433451878551399 (0.00708676% change) linmin: converged after 3 iterations. iteration 37: trace = 2.433377332568779 (0.00306343% change) linmin: converged after 4 iterations. iteration 38: trace = 2.433271914661328 (0.00433226% change) linmin: converged after 3 iterations. iteration 39: trace = 2.433178259803009 (0.003849% change) linmin: converged after 3 iterations. iteration 40: trace = 2.433135884749246 (0.00174157% change) large trace change predicted (0.00592581%) linmin: converged after 3 iterations. iteration 41: trace = 2.432991524414242 (0.00593327% change) linmin: converged after 3 iterations. iteration 42: trace = 2.432956083904433 (0.00145667% change) large trace change predicted (0.00705928%) linmin: converged after 3 iterations. iteration 43: trace = 2.432784016593005 (0.00707261% change) linmin: converged after 4 iterations. iteration 44: trace = 2.432719864934984 (0.002637% change) large trace change predicted (0.00567874%) linmin: converged after 3 iterations. iteration 45: trace = 2.432580687348562 (0.00572123% change) linmin: converged after 3 iterations. iteration 46: trace = 2.432479379338495 (0.00416472% change) linmin: converged after 3 iterations. iteration 47: trace = 2.432285042794907 (0.00798956% change) linmin: converged after 3 iterations. iteration 48: trace = 2.432170808943507 (0.00469668% change) linmin: converged after 4 iterations. iteration 49: trace = 2.432052622647903 (0.00485941% change) linmin: converged after 4 iterations. iteration 50: trace = 2.431877546560799 (0.00719896% change) linmin: converged after 3 iterations. iteration 51: trace = 2.431795719559632 (0.00336482% change) linmin: converged after 3 iterations. iteration 52: trace = 2.431696393891712 (0.00408454% change) linmin: converged after 4 iterations. iteration 53: trace = 2.431636760277184 (0.00245238% change) large trace change predicted (0.00592315%) linmin: converged after 3 iterations. iteration 54: trace = 2.431492404116106 (0.00593676% change) linmin: converged after 4 iterations. iteration 55: trace = 2.431457162942928 (0.00144937% change) large trace change predicted (0.00664181%) linmin: converged after 3 iterations. iteration 56: trace = 2.431295745583637 (0.00663893% change) linmin: converged after 3 iterations. iteration 57: trace = 2.431257083117029 (0.00159021% change) large trace change predicted (0.00464796%) linmin: converged after 4 iterations. iteration 58: trace = 2.431144088626962 (0.00464768% change) linmin: converged after 4 iterations. iteration 59: trace = 2.431090062211807 (0.00222229% change) linmin: converged after 4 iterations. iteration 60: trace = 2.431016706095293 (0.00301746% change) linmin: converged after 3 iterations. iteration 61: trace = 2.430957069106225 (0.0024532% change) linmin: converged after 4 iterations. iteration 62: trace = 2.430908617688924 (0.00199312% change) linmin: converged after 4 iterations. iteration 63: trace = 2.430849646073965 (0.00242594% change) linmin: converged after 3 iterations. iteration 64: trace = 2.430813248378599 (0.00149734% change) linmin: converged after 5 iterations. iteration 65: trace = 2.43074333275598 (0.00287626% change) linmin: converged after 3 iterations. iteration 66: trace = 2.430720451057193 (0.00094135% change) large trace change predicted (0.00257253%) linmin: converged after 3 iterations. iteration 67: trace = 2.43065783473218 (0.00257607% change) linmin: converged after 4 iterations. iteration 68: trace = 2.430628268300632 (0.0012164% change) large trace change predicted (0.00251896%) linmin: converged after 3 iterations. iteration 69: trace = 2.430567036278524 (0.00251922% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.430539129163158 (0.00114818% change) linmin: converged after 3 iterations. iteration 71: trace = 2.430504616436809 (0.00141997% change) linmin: converged after 4 iterations. iteration 72: trace = 2.430479160966565 (0.00104734% change) linmin: converged after 4 iterations. iteration 73: trace = 2.430467719097353 (0.000470767% change) linmin: converged after 3 iterations. iteration 74: trace = 2.430449169402523 (0.000763218% change) linmin: converged after 3 iterations. iteration 75: trace = 2.430430819274576 (0.000755013% change) linmin: converged after 3 iterations. iteration 76: trace = 2.430421416326485 (0.000386885% change) large trace change predicted (0.000998674%) linmin: converged after 5 iterations. iteration 77: trace = 2.430397170000086 (0.000997623% change) linmin: converged after 3 iterations. iteration 78: trace = 2.430362071235476 (0.00144417% change) linmin: converged after 4 iterations. iteration 79: trace = 2.43034979166542 (0.000505258% change) large trace change predicted (0.00196789%) linmin: converged after 3 iterations. iteration 80: trace = 2.430301925051948 (0.00196956% change) linmin: converged after 17 iterations. iteration 81: trace = 2.430250561903287 (0.00211347% change) linmin: converged after 4 iterations. iteration 82: trace = 2.430233115417473 (0.000717891% change) large trace change predicted (0.00378132%) linmin: converged after 4 iterations. iteration 83: trace = 2.430141282638945 (0.00377884% change) linmin: converged after 3 iterations. iteration 84: trace = 2.430107729386463 (0.00138072% change) linmin: converged after 3 iterations. iteration 85: trace = 2.430052054670437 (0.00229107% change) linmin: converged after 5 iterations. iteration 86: trace = 2.430006091898554 (0.00189145% change) linmin: converged after 7 iterations. iteration 87: trace = 2.429964689274548 (0.00170382% change) linmin: converged after 3 iterations. iteration 88: trace = 2.429930838606015 (0.00139306% change) linmin: converged after 3 iterations. iteration 89: trace = 2.429891868095913 (0.00160378% change) linmin: converged after 3 iterations. iteration 90: trace = 2.429864566771172 (0.00112357% change) linmin: converged after 4 iterations. iteration 91: trace = 2.429844028648026 (0.000845241% change) linmin: converged after 17 iterations. iteration 92: trace = 2.429825124482 (0.000778002% change) linmin: converged after 5 iterations. iteration 93: trace = 2.429820307031026 (0.000198263% change) linmin: converged after 3 iterations. iteration 94: trace = 2.429811489210155 (0.000362901% change) linmin: converged after 5 iterations. iteration 95: trace = 2.429799351019589 (0.000499554% change) linmin: converged after 3 iterations. iteration 96: trace = 2.429796384209345 (0.000122101% change) large trace change predicted (0.000517057%) linmin: converged after 4 iterations. iteration 97: trace = 2.429783822312285 (0.000516995% change) linmin: converged after 4 iterations. iteration 98: trace = 2.429779176188033 (0.000191216% change) large trace change predicted (0.000404307%) linmin: converged after 3 iterations. iteration 99: trace = 2.429769358407512 (0.000404061% change) linmin: converged after 3 iterations. iteration 100: trace = 2.429751334627436 (0.000741793% change) linmin: converged after 4 iterations. iteration 101: trace = 2.429742352605952 (0.000369669% change) large trace change predicted (0.00141944%) linmin: converged after 4 iterations. iteration 102: trace = 2.429707992174702 (0.00141417% change) linmin: converged after 4 iterations. iteration 103: trace = 2.429664632613277 (0.00178457% change) linmin: converged after 4 iterations. iteration 104: trace = 2.429647045585335 (0.000723849% change) large trace change predicted (0.00236014%) linmin: converged after 4 iterations. iteration 105: trace = 2.429590050260671 (0.00234585% change) linmin: converged after 3 iterations. iteration 106: trace = 2.429561724742144 (0.00116586% change) linmin: converged after 4 iterations. iteration 107: trace = 2.42953515505053 (0.00109361% change) linmin: converged after 5 iterations. iteration 108: trace = 2.429519665032375 (0.000637573% change) linmin: converged after 5 iterations. iteration 109: trace = 2.429512022126598 (0.000314586% change) linmin: converged after 3 iterations. iteration 110: trace = 2.429498087555357 (0.000573556% change) linmin: converged after 3 iterations. iteration 111: trace = 2.429487519945834 (0.000434972% change) linmin: converged after 3 iterations. iteration 112: trace = 2.42948324395007 (0.000176004% change) large trace change predicted (0.000474577%) linmin: converged after 3 iterations. iteration 113: trace = 2.42947170709866 (0.00047487% change) linmin: converged after 3 iterations. iteration 114: trace = 2.429465139327126 (0.000270338% change) linmin: converged after 5 iterations. iteration 115: trace = 2.429459385570046 (0.000236833% change) large trace change predicted (0.000650862%) linmin: converged after 3 iterations. iteration 116: trace = 2.429443546676336 (0.000651953% change) linmin: converged after 13 iterations. iteration 117: trace = 2.429438048868982 (0.000226299% change) linmin: converged after 5 iterations. iteration 118: trace = 2.429427443295201 (0.000436545% change) linmin: converged after 3 iterations. iteration 119: trace = 2.429413271509384 (0.00058334% change) linmin: converged after 3 iterations. iteration 120: trace = 2.429408316184948 (0.000203972% change) large trace change predicted (0.000900917%) linmin: converged after 6 iterations. iteration 121: trace = 2.429386326019267 (0.00090517% change) linmin: converged after 4 iterations. iteration 122: trace = 2.429375631412208 (0.000440219% change) linmin: converged after 4 iterations. iteration 123: trace = 2.429364836826458 (0.000444337% change) large trace change predicted (0.00110621%) linmin: converged after 6 iterations. iteration 124: trace = 2.429337834084296 (0.00111152% change) linmin: converged after 3 iterations. iteration 125: trace = 2.429334077310085 (0.000154642% change) large trace change predicted (0.000524101%) linmin: converged after 4 iterations. iteration 126: trace = 2.429321327974368 (0.000524809% change) linmin: converged after 4 iterations. iteration 127: trace = 2.429312247681153 (0.00037378% change) linmin: converged after 4 iterations. iteration 128: trace = 2.429307013266377 (0.000215469% change) linmin: converged after 3 iterations. iteration 129: trace = 2.429299574266179 (0.000306219% change) linmin: converged after 4 iterations. iteration 130: trace = 2.429296422141316 (0.000129755% change) linmin: converged after 4 iterations. iteration 131: trace = 2.42929430636169 (8.70944e-05% change) linmin: converged after 4 iterations. iteration 132: trace = 2.429292120608778 (8.99748e-05% change) linmin: converged after 3 iterations. iteration 133: trace = 2.429291259743365 (3.54369e-05% change) large trace change predicted (0.000155579%) linmin: converged after 3 iterations. iteration 134: trace = 2.42928747856844 (0.000155649% change) linmin: converged after 4 iterations. iteration 135: trace = 2.42928566079622 (7.48274e-05% change) linmin: converged after 3 iterations. iteration 136: trace = 2.429283972697248 (6.94895e-05% change) linmin: converged after 9 iterations. iteration 137: trace = 2.429281362924337 (0.00010743% change) linmin: converged after 3 iterations. iteration 138: trace = 2.429278118852213 (0.00013354% change) linmin: converged after 3 iterations. iteration 139: trace = 2.429275614525207 (0.000103089% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.42927409598177 (6.25102e-05% change) linmin: converged after 5 iterations. iteration 141: trace = 2.42927289908012 (4.92699e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.429271258249443 (6.75441e-05% change) linmin: converged after 3 iterations. iteration 143: trace = 2.429270235886694 (4.20852e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.429268647958751 (6.53665e-05% change) linmin: converged after 7 iterations. iteration 145: trace = 2.42926704584085 (6.59506e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.429266479973327 (2.32938e-05% change) large trace change predicted (8.08986e-05%) linmin: converged after 3 iterations. iteration 147: trace = 2.429264515434403 (8.08697e-05% change) linmin: converged after 4 iterations. iteration 148: trace = 2.42926334816456 (4.80504e-05% change) linmin: converged after 4 iterations. iteration 149: trace = 2.429261899908278 (5.96171e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.429259840646419 (8.47691e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.429256957670471 (0.000118677% change) linmin: converged after 3 iterations. iteration 152: trace = 2.429255776060519 (4.86408e-05% change) large trace change predicted (0.000132907%) linmin: converged after 3 iterations. iteration 153: trace = 2.429252548958497 (0.000132843% change) linmin: converged after 4 iterations. iteration 154: trace = 2.429251754706228 (3.26953e-05% change) large trace change predicted (0.000118786%) linmin: converged after 17 iterations. iteration 155: trace = 2.429248871948371 (0.000118669% change) linmin: converged after 3 iterations. iteration 156: trace = 2.429246735918261 (8.79297e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.429245833309891 (3.71559e-05% change) large trace change predicted (0.000116423%) linmin: converged after 8 iterations. iteration 158: trace = 2.429243005345469 (0.000116413% change) linmin: converged after 3 iterations. iteration 159: trace = 2.429241101779866 (7.83605e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 2.429240335506347 (3.15437e-05% change) large trace change predicted (9.3507e-05%) linmin: converged after 3 iterations. iteration 161: trace = 2.429238064622663 (9.34813e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.429235882997586 (8.9807e-05% change) linmin: converged after 4 iterations. iteration 163: trace = 2.429234980401422 (3.71556e-05% change) linmin: converged after 4 iterations. iteration 164: trace = 2.42923423123724 (3.08395e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.429233750911721 (1.97727e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.429233088670296 (2.72613e-05% change) linmin: converged after 4 iterations. iteration 167: trace = 2.429232294868338 (3.26771e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.429232092479231 (8.3314e-06% change) large trace change predicted (2.08687e-05%) linmin: converged after 3 iterations. iteration 169: trace = 2.429231585521984 (2.0869e-05% change) large trace change predicted (4.65916e-05%) linmin: converged after 5 iterations. iteration 170: trace = 2.429230452851343 (4.66267e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 2.42923003641728 (1.71426e-05% change) large trace change predicted (4.9594e-05%) linmin: converged after 3 iterations. iteration 172: trace = 2.429228831028408 (4.96202e-05% change) large trace change predicted (0.000101481%) linmin: converged after 3 iterations. iteration 173: trace = 2.429226362009262 (0.000101638% change) linmin: converged after 8 iterations. iteration 174: trace = 2.429225417340648 (3.88876e-05% change) large trace change predicted (0.00015174%) linmin: converged after 5 iterations. iteration 175: trace = 2.429221720389118 (0.000152187% change) linmin: converged after 8 iterations. iteration 176: trace = 2.42922057521934 (4.71414e-05% change) large trace change predicted (0.000101914%) linmin: converged after 3 iterations. iteration 177: trace = 2.429218093805543 (0.000102149% change) linmin: converged after 3 iterations. iteration 178: trace = 2.429216776163412 (5.42414e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.429216260438805 (2.12301e-05% change) linmin: converged after 3 iterations. iteration 180: trace = 2.429215479645262 (3.21418e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.429214791117453 (2.83436e-05% change) linmin: converged after 3 iterations. iteration 182: trace = 2.42921465892592 (5.44174e-06% change) large trace change predicted (1.81693e-05%) linmin: converged after 3 iterations. iteration 183: trace = 2.429214217504786 (1.81714e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.429213878554908 (1.39531e-05% change) linmin: converged after 4 iterations. iteration 185: trace = 2.429213475528831 (1.65908e-05% change) large trace change predicted (4.60529e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.429212356766668 (4.60545e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.42921172171569 (2.61423e-05% change) linmin: converged after 3 iterations. iteration 188: trace = 2.429211037753644 (2.81557e-05% change) large trace change predicted (6.15626e-05%) linmin: converged after 3 iterations. iteration 189: trace = 2.429209541977092 (6.15746e-05% change) linmin: converged after 4 iterations. iteration 190: trace = 2.429207963346268 (6.49854e-05% change) linmin: converged after 5 iterations. iteration 191: trace = 2.4292070388716 (3.80566e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.429205426903361 (6.63578e-05% change) linmin: converged after 7 iterations. iteration 193: trace = 2.429204296054082 (4.65522e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.429202808309655 (6.12441e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.429201125104358 (6.92905e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.429200275662924 (3.49679e-05% change) large trace change predicted (8.11891e-05%) linmin: converged after 3 iterations. iteration 197: trace = 2.42919830378711 (8.11739e-05% change) linmin: converged after 4 iterations. iteration 198: trace = 2.429196398587989 (7.84292e-05% change) linmin: converged after 3 iterations. iteration 199: trace = 2.429196159061805 (9.86031e-06% change) large trace change predicted (4.10336e-05%) linmin: converged after 4 iterations. iteration 200: trace = 2.429195162416827 (4.10278e-05% change) linmin: converged after 5 iterations. iteration 201: trace = 2.429194809229874 (1.45393e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.429194551279223 (1.06188e-05% change) large trace change predicted (2.65693e-05%) linmin: converged after 3 iterations. iteration 203: trace = 2.429193905991623 (2.65639e-05% change) linmin: converged after 4 iterations. iteration 204: trace = 2.429193570087664 (1.38278e-05% change) linmin: converged after 4 iterations. iteration 205: trace = 2.429193222930634 (1.4291e-05% change) large trace change predicted (3.24251e-05%) linmin: converged after 3 iterations. iteration 206: trace = 2.429192435152539 (3.24296e-05% change) linmin: converged after 3 iterations. iteration 207: trace = 2.4291921630543 (1.12012e-05% change) large trace change predicted (2.38952e-05%) linmin: converged after 3 iterations. iteration 208: trace = 2.42919158249233 (2.38994e-05% change) large trace change predicted (0.000111098%) linmin: converged after 5 iterations. iteration 209: trace = 2.429188884189141 (0.000111078% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.429188417663049 (1.9205e-05% change) large trace change predicted (3.87924e-05%) linmin: converged after 3 iterations. iteration 211: trace = 2.429187475341786 (3.87916e-05% change) linmin: converged after 2 iterations. iteration 212: trace = 2.429186915967879 (2.30272e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.429186735590805 (7.42541e-06% change) large trace change predicted (2.20942e-05%) linmin: converged after 3 iterations. iteration 214: trace = 2.429186198860606 (2.20951e-05% change) linmin: converged after 17 iterations. iteration 215: trace = 2.429185878642841 (1.31821e-05% change) linmin: converged after 5 iterations. iteration 216: trace = 2.429185770261154 (4.46165e-06% change) large trace change predicted (2.78323e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.429185094171956 (2.78319e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.429184909013692 (7.62224e-06% change) large trace change predicted (1.53145e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.429184537014271 (1.53138e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.42918417152118 (1.50459e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.42918393213037 (9.85478e-06% change) linmin: converged after 4 iterations. iteration 222: trace = 2.429183590611124 (1.4059e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.429183130075418 (1.89585e-05% change) linmin: converged after 4 iterations. iteration 224: trace = 2.429182974161737 (6.41836e-06% change) large trace change predicted (2.32489e-05%) linmin: converged after 4 iterations. iteration 225: trace = 2.42918240945807 (2.32467e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.429181944168396 (1.91542e-05% change) linmin: converged after 7 iterations. iteration 227: trace = 2.429181768390337 (7.2361e-06% change) large trace change predicted (3.06009e-05%) linmin: converged after 3 iterations. iteration 228: trace = 2.429181025453373 (3.05838e-05% change) linmin: converged after 5 iterations. iteration 229: trace = 2.429180461966678 (2.31966e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.429180207737434 (1.04656e-05% change) large trace change predicted (4.05241e-05%) linmin: converged after 9 iterations. iteration 231: trace = 2.429179223611912 (4.05127e-05% change) linmin: converged after 5 iterations. iteration 232: trace = 2.429179025585875 (8.15197e-06% change) large trace change predicted (2.09963e-05%) linmin: converged after 5 iterations. iteration 233: trace = 2.429178515612528 (2.09937e-05% change) linmin: converged after 10 iterations. iteration 234: trace = 2.429178320911897 (8.01508e-06% change) linmin: converged after 5 iterations. iteration 235: trace = 2.429178248027359 (3.00038e-06% change) large trace change predicted (9.55952e-06%) linmin: converged after 4 iterations. iteration 236: trace = 2.42917801581976 (9.5591e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.429177861901049 (6.33625e-06% change) linmin: converged after 18 iterations. iteration 238: trace = 2.429177747213046 (4.72127e-06% change) linmin: converged after 5 iterations. iteration 239: trace = 2.429177698299305 (2.01359e-06% change) large trace change predicted (1.11405e-05%) linmin: converged after 8 iterations. iteration 240: trace = 2.429177427738141 (1.1138e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.429177305472837 (5.0332e-06% change) linmin: converged after 6 iterations. iteration 242: trace = 2.429177204659053 (4.15012e-06% change) large trace change predicted (1.7675e-05%) linmin: converged after 15 iterations. iteration 243: trace = 2.429176775531757 (1.76655e-05% change) linmin: converged after 2 iterations. iteration 244: trace = 2.429176676169531 (4.09037e-06% change) large trace change predicted (1.92215e-05%) linmin: converged after 8 iterations. iteration 245: trace = 2.429176209583188 (1.92076e-05% change) linmin: converged after 5 iterations. iteration 246: trace = 2.429175810985335 (1.64088e-05% change) linmin: converged after 4 iterations. iteration 247: trace = 2.429175606454512 (8.41976e-06% change) linmin: converged after 3 iterations. iteration 248: trace = 2.429175235324235 (1.5278e-05% change) linmin: converged after 3 iterations. iteration 249: trace = 2.429174806497148 (1.76532e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.429174680882425 (5.17109e-06% change) large trace change predicted (1.79797e-05%) linmin: converged after 5 iterations. iteration 251: trace = 2.429174244340877 (1.79708e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.429174062259734 (7.4956e-06% change) linmin: converged after 3 iterations. iteration 253: trace = 2.429173793528956 (1.10626e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.42917345168899 (1.40723e-05% change) linmin: converged after 5 iterations. iteration 255: trace = 2.429173367085217 (3.48282e-06% change) linmin: converged after 3 iterations. iteration 256: trace = 2.429173285275176 (3.36781e-06% change) linmin: converged after 16 iterations. iteration 257: trace = 2.429173157686595 (5.25235e-06% change) linmin: converged after 19 iterations. iteration 258: trace = 2.429173124665559 (1.35935e-06% change) large trace change predicted (5.8885e-06%) linmin: converged after 3 iterations. iteration 259: trace = 2.429172981626833 (5.88837e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.429172805000309 (7.27106e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 2.429172679875048 (5.15094e-06% change) large trace change predicted (1.04768e-05%) linmin: converged after 5 iterations. iteration 262: trace = 2.429172425283692 (1.04806e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.429172162836944 (1.0804e-05% change) linmin: converged after 4 iterations. iteration 264: trace = 2.429171853052371 (1.27527e-05% change) linmin: converged after 5 iterations. iteration 265: trace = 2.429171375270278 (1.96685e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.429170756902879 (2.54559e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.429170563713625 (7.95289e-06% change) large trace change predicted (1.94942e-05%) linmin: converged after 3 iterations. iteration 268: trace = 2.429170089903602 (1.9505e-05% change) linmin: converged after 7 iterations. iteration 269: trace = 2.429169997198031 (3.81635e-06% change) large trace change predicted (1.09782e-05%) linmin: converged after 3 iterations. iteration 270: trace = 2.429169730438092 (1.09815e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.429169585969877 (5.94723e-06% change) linmin: converged after 4 iterations. iteration 272: trace = 2.429169513444048 (2.98562e-06% change) large trace change predicted (9.14273e-06%) linmin: converged after 3 iterations. iteration 273: trace = 2.429169291329733 (9.14363e-06% change) linmin: converged after 3 iterations. iteration 274: trace = 2.429169104533092 (7.68973e-06% change) linmin: converged after 9 iterations. iteration 275: trace = 2.429169019206554 (3.51258e-06% change) large trace change predicted (7.07632e-06%) linmin: converged after 3 iterations. iteration 276: trace = 2.429168847307157 (7.07647e-06% change) linmin: converged after 4 iterations. iteration 277: trace = 2.429168747622026 (4.10367e-06% change) linmin: converged after 3 iterations. iteration 278: trace = 2.429168631884506 (4.76449e-06% change) linmin: converged after 9 iterations. iteration 279: trace = 2.429168532093602 (4.10803e-06% change) resetting CG direction... linmin: converged after 12 iterations. iteration 280: trace = 2.4291684964183 (1.46862e-06% change) linmin: converged after 3 iterations. iteration 281: trace = 2.429168440493254 (2.30223e-06% change) large trace change predicted (4.78184e-06%) linmin: converged after 12 iterations. iteration 282: trace = 2.429168324337096 (4.78173e-06% change) linmin: converged after 3 iterations. iteration 283: trace = 2.429168281452561 (1.7654e-06% change) large trace change predicted (4.77569e-06%) linmin: converged after 3 iterations. iteration 284: trace = 2.429168165440978 (4.77577e-06% change) linmin: converged after 4 iterations. iteration 285: trace = 2.429168012705448 (6.28757e-06% change) linmin: converged after 3 iterations. iteration 286: trace = 2.42916796048866 (2.14958e-06% change) large trace change predicted (8.34541e-06%) linmin: converged after 8 iterations. iteration 287: trace = 2.429167757816693 (8.34327e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.429167658486002 (4.08908e-06% change) linmin: converged after 3 iterations. iteration 289: trace = 2.429167571186357 (3.59381e-06% change) large trace change predicted (7.19173e-06%) linmin: converged after 3 iterations. iteration 290: trace = 2.429167396516001 (7.19054e-06% change) linmin: converged after 21 iterations. iteration 291: trace = 2.429167288799497 (4.4343e-06% change) large trace change predicted (9.41372e-06%) linmin: converged after 3 iterations. iteration 292: trace = 2.42916706019453 (9.41084e-06% change) linmin: converged after 5 iterations. iteration 293: trace = 2.429166790637383 (1.10967e-05% change) linmin: converged after 2 iterations. iteration 294: trace = 2.429166700646225 (3.70461e-06% change) large trace change predicted (9.97237e-06%) linmin: converged after 5 iterations. iteration 295: trace = 2.429166458463594 (9.96978e-06% change) linmin: converged after 5 iterations. iteration 296: trace = 2.429166273287356 (7.62304e-06% change) linmin: converged after 3 iterations. iteration 297: trace = 2.429166214243364 (2.43063e-06% change) large trace change predicted (5.55686e-06%) linmin: converged after 3 iterations. iteration 298: trace = 2.429166079247588 (5.55729e-06% change) linmin: converged after 5 iterations. iteration 299: trace = 2.42916595125798 (5.26887e-06% change) linmin: converged after 5 iterations. iteration 300: trace = 2.42916592282076 (1.17066e-06% change) large trace change predicted (4.49744e-06%) linmin: converged after 3 iterations. iteration 301: trace = 2.429165813577227 (4.49716e-06% change) linmin: converged after 3 iterations. iteration 302: trace = 2.429165796577458 (6.99819e-07% change) large trace change predicted (2.49075e-06%) linmin: converged after 28 iterations. iteration 303: trace = 2.429165736079905 (2.49047e-06% change) linmin: converged after 10 iterations. iteration 304: trace = 2.429165697146961 (1.60273e-06% change) linmin: converged after 6 iterations. iteration 305: trace = 2.429165679806006 (7.13865e-07% change) large trace change predicted (3.42752e-06%) linmin: converged after 4 iterations. iteration 306: trace = 2.429165596541317 (3.42771e-06% change) linmin: converged after 3 iterations. iteration 307: trace = 2.42916551057928 (3.53875e-06% change) linmin: converged after 13 iterations. iteration 308: trace = 2.429165452112139 (2.40688e-06% change) linmin: converged after 5 iterations. iteration 309: trace = 2.429165391596641 (2.49121e-06% change) large trace change predicted (5.07692e-06%) linmin: converged after 6 iterations. iteration 310: trace = 2.429165268222554 (5.07887e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.429165206363174 (2.54653e-06% change) large trace change predicted (5.43046e-06%) linmin: converged after 3 iterations. iteration 312: trace = 2.429165074413008 (5.43191e-06% change) linmin: converged after 4 iterations. iteration 313: trace = 2.429164892245254 (7.49919e-06% change) linmin: converged after 5 iterations. iteration 314: trace = 2.429164849258548 (1.76961e-06% change) large trace change predicted (6.15247e-06%) linmin: converged after 5 iterations. iteration 315: trace = 2.429164699752117 (6.15464e-06% change) linmin: converged after 7 iterations. iteration 316: trace = 2.429164638771448 (2.51036e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.429164550226917 (3.64506e-06% change) linmin: converged after 6 iterations. iteration 318: trace = 2.429164479965706 (2.8924e-06% change) linmin: converged after 7 iterations. iteration 319: trace = 2.429164428042301 (2.1375e-06% change) linmin: converged after 6 iterations. iteration 320: trace = 2.42916433563347 (3.80414e-06% change) linmin: converged after 6 iterations. iteration 321: trace = 2.429164273072414 (2.57541e-06% change) linmin: converged after 5 iterations. iteration 322: trace = 2.429164251889688 (8.72017e-07% change) large trace change predicted (2.15234e-06%) linmin: converged after 31 iterations. iteration 323: trace = 2.429164199604794 (2.15238e-06% change) linmin: converged after 4 iterations. iteration 324: trace = 2.429164141863048 (2.37702e-06% change) linmin: converged after 3 iterations. iteration 325: trace = 2.429164127630346 (5.85909e-07% change) linmin: converged after 3 iterations. iteration 326: trace = 2.429164104061229 (9.70256e-07% change) large trace change predicted (2.21783e-06%) linmin: converged after 11 iterations. iteration 327: trace = 2.429164050187693 (2.21778e-06% change) linmin: converged after 5 iterations. iteration 328: trace = 2.429164034353503 (6.51837e-07% change) large trace change predicted (3.00202e-06%) linmin: converged after 15 iterations. iteration 329: trace = 2.429163961434901 (3.0018e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.429163889770653 (2.95016e-06% change) linmin: converged after 12 iterations. iteration 331: trace = 2.42916383487541 (2.25984e-06% change) large trace change predicted (5.68134e-06%) linmin: converged after 3 iterations. iteration 332: trace = 2.429163696882009 (5.6807e-06% change) linmin: converged after 4 iterations. iteration 333: trace = 2.429163570432511 (5.20547e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.429163481349127 (3.66725e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.429163344316766 (5.64113e-06% change) linmin: converged after 4 iterations. iteration 336: trace = 2.429163265834819 (3.23082e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.42916317946051 (3.55572e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.429163085013065 (3.88807e-06% change) linmin: converged after 39 iterations. iteration 339: trace = 2.429163066798336 (7.49836e-07% change) large trace change predicted (2.4415e-06%) linmin: converged after 15 iterations. iteration 340: trace = 2.429163007491066 (2.44147e-06% change) linmin: converged after 12 iterations. iteration 341: trace = 2.429162963036354 (1.83004e-06% change) linmin: converged after 18 iterations. iteration 342: trace = 2.429162948635061 (5.9285e-07% change) large trace change predicted (3.10214e-06%) linmin: converged after 3 iterations. iteration 343: trace = 2.4291628732808 (3.10207e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.429162825499415 (1.96699e-06% change) linmin: converged after 3 iterations. iteration 345: trace = 2.429162809116475 (6.74427e-07% change) large trace change predicted (2.00799e-06%) linmin: converged after 2 iterations. iteration 346: trace = 2.429162760339046 (2.00799e-06% change) linmin: converged after 4 iterations. iteration 347: trace = 2.429162724432277 (1.47815e-06% change) linmin: converged after 4 iterations. iteration 348: trace = 2.429162698551296 (1.06543e-06% change) large trace change predicted (2.23223e-06%) linmin: converged after 5 iterations. iteration 349: trace = 2.4291626443277 (2.23219e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.429162606880206 (1.54158e-06% change) linmin: converged after 3 iterations. iteration 351: trace = 2.429162592627571 (5.8673e-07% change) large trace change predicted (1.69493e-06%) linmin: converged after 2 iterations. iteration 352: trace = 2.429162551455 (1.69493e-06% change) linmin: converged after 12 iterations. iteration 353: trace = 2.42916252138295 (1.23796e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.429162501479733 (8.19345e-07% change) large trace change predicted (1.82735e-06%) linmin: converged after 6 iterations. iteration 355: trace = 2.429162457090289 (1.82736e-06% change) linmin: converged after 6 iterations. iteration 356: trace = 2.429162440909697 (6.66098e-07% change) large trace change predicted (2.34219e-06%) linmin: converged after 2 iterations. iteration 357: trace = 2.429162384014163 (2.34219e-06% change) linmin: converged after 5 iterations. iteration 358: trace = 2.429162349681781 (1.41334e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.429162330473176 (7.9075e-07% change) linmin: converged after 8 iterations. iteration 360: trace = 2.429162296920965 (1.38123e-06% change) linmin: converged after 2 iterations. iteration 361: trace = 2.429162235219772 (2.54002e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.429162220071998 (6.2358e-07% change) large trace change predicted (2.67787e-06%) linmin: converged after 5 iterations. iteration 363: trace = 2.429162155020347 (2.67795e-06% change) linmin: converged after 2 iterations. iteration 364: trace = 2.429162083523964 (2.94325e-06% change) linmin: converged after 7 iterations. iteration 365: trace = 2.429162046332947 (1.53102e-06% change) large trace change predicted (3.42156e-06%) linmin: converged after 2 iterations. iteration 366: trace = 2.429161963216603 (3.42161e-06% change) linmin: converged after 3 iterations. iteration 367: trace = 2.429161898126555 (2.67953e-06% change) linmin: converged after 7 iterations. iteration 368: trace = 2.429161872295726 (1.06336e-06% change) large trace change predicted (2.28311e-06%) linmin: converged after 4 iterations. iteration 369: trace = 2.429161816835373 (2.28311e-06% change) linmin: converged after 17 iterations. iteration 370: trace = 2.42916179829711 (7.63155e-07% change) linmin: converged after 3 iterations. iteration 371: trace = 2.429161774001537 (1.00016e-06% change) linmin: converged after 4 iterations. iteration 372: trace = 2.429161756942047 (7.02279e-07% change) linmin: converged after 3 iterations. iteration 373: trace = 2.429161747951866 (3.70094e-07% change) linmin: converged after 3 iterations. iteration 374: trace = 2.429161736740186 (4.61545e-07% change) large trace change predicted (9.93069e-07%) linmin: converged after 4 iterations. iteration 375: trace = 2.429161712617764 (9.93035e-07% change) linmin: converged after 3 iterations. iteration 376: trace = 2.429161706277334 (2.61013e-07% change) large trace change predicted (9.6954e-07%) linmin: converged after 3 iterations. iteration 377: trace = 2.429161682726784 (9.69493e-07% change) linmin: converged after 15 iterations. iteration 378: trace = 2.42916165696918 (1.06035e-06% change) linmin: converged after 4 iterations. iteration 379: trace = 2.429161631436572 (1.05109e-06% change) linmin: converged after 5 iterations. iteration 380: trace = 2.429161615532259 (6.54724e-07% change) large trace change predicted (1.42807e-06%) linmin: converged after 6 iterations. iteration 381: trace = 2.429161580845463 (1.42793e-06% change) linmin: converged after 25 iterations. iteration 382: trace = 2.429161547566768 (1.36997e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.429161526503495 (8.67101e-07% change) large trace change predicted (1.92608e-06%) linmin: converged after 9 iterations. iteration 384: trace = 2.429161479721524 (1.92585e-06% change) linmin: converged after 6 iterations. iteration 385: trace = 2.429161467676568 (4.95848e-07% change) large trace change predicted (2.38017e-06%) linmin: converged after 9 iterations. iteration 386: trace = 2.429161409865471 (2.37988e-06% change) linmin: converged after 5 iterations. iteration 387: trace = 2.429161370736981 (1.61078e-06% change) linmin: converged after 4 iterations. iteration 388: trace = 2.429161353649504 (7.03431e-07% change) large trace change predicted (1.69145e-06%) linmin: converged after 5 iterations. iteration 389: trace = 2.429161312564659 (1.69132e-06% change) linmin: converged after 5 iterations. iteration 390: trace = 2.429161289374483 (9.54658e-07% change) linmin: converged after 10 iterations. iteration 391: trace = 2.429161275905912 (5.54454e-07% change) linmin: converged after 2 iterations. iteration 392: trace = 2.429161254799956 (8.68858e-07% change) linmin: converged after 4 iterations. iteration 393: trace = 2.429161245438828 (3.85365e-07% change) linmin: converged after 3 iterations. iteration 394: trace = 2.429161229402593 (6.60155e-07% change) linmin: converged after 23 iterations. iteration 395: trace = 2.429161219232758 (4.18656e-07% change) linmin: converged after 3 iterations. iteration 396: trace = 2.429161208096996 (4.5842e-07% change) linmin: converged after 21 iterations. iteration 397: trace = 2.429161201432734 (2.74344e-07% change) large trace change predicted (9.31855e-07%) linmin: converged after 4 iterations. iteration 398: trace = 2.429161178796045 (9.31873e-07% change) linmin: converged after 18 iterations. iteration 399: trace = 2.429161174266039 (1.86484e-07% change) large trace change predicted (1.12087e-06%) linmin: converged after 29 iterations. iteration 400: trace = 2.42916114703788 (1.12089e-06% change) linmin: converged after 7 iterations. iteration 401: trace = 2.429161116753245 (1.24671e-06% change) linmin: converged after 28 iterations. iteration 402: trace = 2.429161103903051 (5.28997e-07% change) large trace change predicted (1.36412e-06%) linmin: converged after 3 iterations. iteration 403: trace = 2.429161070766495 (1.36412e-06% change) linmin: converged after 6 iterations. iteration 404: trace = 2.429161031675101 (1.60925e-06% change) linmin: converged after 5 iterations. iteration 405: trace = 2.429161018395096 (5.46691e-07% change) large trace change predicted (2.19263e-06%) linmin: converged after 4 iterations. iteration 406: trace = 2.429160965117012 (2.19327e-06% change) linmin: converged after 10 iterations. iteration 407: trace = 2.42916094607832 (7.83756e-07% change) linmin: converged after 14 iterations. iteration 408: trace = 2.429160915406335 (1.26266e-06% change) linmin: converged after 6 iterations. iteration 409: trace = 2.429160890787283 (1.01348e-06% change) linmin: converged after 10 iterations. iteration 410: trace = 2.429160865912935 (1.02399e-06% change) linmin: converged after 4 iterations. iteration 411: trace = 2.429160859681612 (2.56522e-07% change) large trace change predicted (1.04374e-06%) linmin: converged after 3 iterations. iteration 412: trace = 2.429160834324978 (1.04384e-06% change) linmin: converged after 13 iterations. iteration 413: trace = 2.429160822552582 (4.84628e-07% change) linmin: converged after 3 iterations. iteration 414: trace = 2.429160810479629 (4.97001e-07% change) linmin: converged after 2 iterations. iteration 415: trace = 2.429160794270682 (6.67265e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.429160786868144 (3.04736e-07% change) linmin: converged after 9 iterations. iteration 417: trace = 2.429160778191858 (3.57172e-07% change) linmin: converged after 3 iterations. iteration 418: trace = 2.429160770947577 (2.98222e-07% change) large trace change predicted (7.45595e-07%) linmin: converged after 4 iterations. iteration 419: trace = 2.429160752836823 (7.45556e-07% change) resetting CG direction... linmin: converged after 12 iterations. iteration 420: trace = 2.429160739586965 (5.4545e-07% change) linmin: converged after 6 iterations. iteration 421: trace = 2.429160730537375 (3.7254e-07% change) linmin: converged after 2 iterations. iteration 422: trace = 2.429160724763051 (2.37709e-07% change) linmin: converged after 7 iterations. iteration 423: trace = 2.429160719570453 (2.13761e-07% change) large trace change predicted (7.00133e-07%) linmin: converged after 21 iterations. iteration 424: trace = 2.429160702563295 (7.00125e-07% change) linmin: converged after 4 iterations. iteration 425: trace = 2.429160697115749 (2.24256e-07% change) large trace change predicted (5.1037e-07%) linmin: converged after 6 iterations. iteration 426: trace = 2.42916068471825 (5.10361e-07% change) linmin: converged after 6 iterations. iteration 427: trace = 2.429160666635492 (7.44404e-07% change) linmin: converged after 4 iterations. iteration 428: trace = 2.429160659172078 (3.07243e-07% change) linmin: converged after 7 iterations. iteration 429: trace = 2.429160644444301 (6.06291e-07% change) linmin: converged after 4 iterations. iteration 430: trace = 2.429160624952865 (8.02394e-07% change) linmin: converged after 9 iterations. iteration 431: trace = 2.429160619104701 (2.40748e-07% change) large trace change predicted (9.7676e-07%) linmin: converged after 11 iterations. iteration 432: trace = 2.429160595379874 (9.76668e-07% change) linmin: converged after 3 iterations. iteration 433: trace = 2.4291605797672 (6.42719e-07% change) linmin: converged after 6 iterations. iteration 434: trace = 2.429160557386624 (9.2133e-07% change) linmin: converged after 10 iterations. iteration 435: trace = 2.429160537761554 (8.07895e-07% change) linmin: converged after 10 iterations. iteration 436: trace = 2.429160526861633 (4.48711e-07% change) linmin: converged after 17 iterations. iteration 437: trace = 2.429160510496093 (6.73712e-07% change) linmin: converged after 3 iterations. iteration 438: trace = 2.429160494711398 (6.498e-07% change) linmin: converged after 5 iterations. iteration 439: trace = 2.429160486694368 (3.30033e-07% change) linmin: converged after 15 iterations. iteration 440: trace = 2.42916047882103 (3.24118e-07% change) linmin: converged after 13 iterations. iteration 441: trace = 2.429160470234992 (3.53457e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.429160467856385 (9.79189e-08% change) linmin: converged after 19 iterations. iteration 443: trace = 2.429160463831151 (1.65705e-07% change) linmin: converged after 7 iterations. iteration 444: trace = 2.429160457686066 (2.52972e-07% change) linmin: converged after 4 iterations. iteration 445: trace = 2.429160455712316 (8.12523e-08% change) large trace change predicted (4.03865e-07%) linmin: converged after 6 iterations. iteration 446: trace = 2.429160445901539 (4.03875e-07% change) linmin: converged after 9 iterations. iteration 447: trace = 2.429160436720489 (3.77952e-07% change) linmin: converged after 2 iterations. iteration 448: trace = 2.429160433539449 (1.30952e-07% change) large trace change predicted (4.12445e-07%) linmin: converged after 11 iterations. iteration 449: trace = 2.429160423520147 (4.12459e-07% change) linmin: converged after 3 iterations. iteration 450: trace = 2.429160409222536 (5.88582e-07% change) linmin: converged after 4 iterations. iteration 451: trace = 2.429160403858268 (2.20828e-07% change) large trace change predicted (5.3769e-07%) linmin: converged after 5 iterations. iteration 452: trace = 2.429160390796208 (5.37719e-07% change) linmin: converged after 6 iterations. iteration 453: trace = 2.429160369243609 (8.87245e-07% change) linmin: converged after 5 iterations. iteration 454: trace = 2.429160365273726 (1.63426e-07% change) large trace change predicted (6.34754e-07%) linmin: converged after 9 iterations. iteration 455: trace = 2.429160349852637 (6.34832e-07% change) linmin: converged after 2 iterations. iteration 456: trace = 2.429160340465358 (3.86441e-07% change) linmin: converged after 17 iterations. iteration 457: trace = 2.429160335681417 (1.96938e-07% change) linmin: converged after 4 iterations. iteration 458: trace = 2.429160328469846 (2.96875e-07% change) linmin: converged after 8 iterations. iteration 459: trace = 2.42916032225174 (2.55978e-07% change) linmin: converged after 19 iterations. iteration 460: trace = 2.42916031538806 (2.82554e-07% change) linmin: converged after 5 iterations. iteration 461: trace = 2.429160307051307 (3.43195e-07% change) linmin: converged after 8 iterations. iteration 462: trace = 2.429160304951536 (8.64402e-08% change) large trace change predicted (2.06878e-07%) linmin: converged after 3 iterations. iteration 463: trace = 2.429160299926093 (2.0688e-07% change) linmin: converged after 6 iterations. iteration 464: trace = 2.429160295228535 (1.93382e-07% change) linmin: converged after 9 iterations. iteration 465: trace = 2.429160292940201 (9.42027e-08% change) linmin: converged after 4 iterations. iteration 466: trace = 2.429160289924876 (1.2413e-07% change) linmin: converged after 9 iterations. iteration 467: trace = 2.429160284427077 (2.26325e-07% change) linmin: converged after 2 iterations. iteration 468: trace = 2.429160283390882 (4.26565e-08% change) large trace change predicted (3.37778e-07%) linmin: converged after 10 iterations. iteration 469: trace = 2.429160275185771 (3.37776e-07% change) linmin: converged after 6 iterations. iteration 470: trace = 2.429160272626115 (1.05372e-07% change) large trace change predicted (4.14223e-07%) linmin: converged after 3 iterations. iteration 471: trace = 2.429160262564194 (4.14214e-07% change) linmin: converged after 3 iterations. iteration 472: trace = 2.429160251210739 (4.67382e-07% change) linmin: converged after 6 iterations. iteration 473: trace = 2.42916023576294 (6.35932e-07% change) linmin: converged after 3 iterations. iteration 474: trace = 2.429160231032962 (1.94717e-07% change) large trace change predicted (6.67413e-07%) linmin: converged after 20 iterations. iteration 475: trace = 2.429160214821227 (6.6738e-07% change) linmin: converged after 4 iterations. iteration 476: trace = 2.429160203867546 (4.50925e-07% change) linmin: converged after 4 iterations. iteration 477: trace = 2.429160199322132 (1.87119e-07% change) large trace change predicted (3.81325e-07%) linmin: converged after 27 iterations. iteration 478: trace = 2.429160190059395 (3.81314e-07% change) linmin: converged after 4 iterations. iteration 479: trace = 2.429160184963958 (2.09761e-07% change) linmin: converged after 4 iterations. iteration 480: trace = 2.429160182536235 (9.99409e-08% change) linmin: converged after 5 iterations. iteration 481: trace = 2.429160178153689 (1.80414e-07% change) linmin: converged after 3 iterations. iteration 482: trace = 2.429160173265569 (2.01227e-07% change) linmin: converged after 6 iterations. iteration 483: trace = 2.429160168444519 (1.98466e-07% change) linmin: converged after 31 iterations. iteration 484: trace = 2.429160162554148 (2.42486e-07% change) linmin: converged after 15 iterations. iteration 485: trace = 2.42916016098529 (6.45844e-08% change) large trace change predicted (1.51359e-07%) linmin: converged after 3 iterations. iteration 486: trace = 2.429160157308518 (1.5136e-07% change) linmin: converged after 21 iterations. iteration 487: trace = 2.429160152064144 (2.15892e-07% change) linmin: converged after 13 iterations. iteration 488: trace = 2.429160150600116 (6.02689e-08% change) large trace change predicted (1.65788e-07%) linmin: converged after 3 iterations. iteration 489: trace = 2.429160146572889 (1.65787e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.429160143109999 (1.42555e-07% change) linmin: converged after 13 iterations. iteration 491: trace = 2.429160141774804 (5.49653e-08% change) large trace change predicted (1.87946e-07%) linmin: converged after 16 iterations. iteration 492: trace = 2.429160137209224 (1.87949e-07% change) linmin: converged after 3 iterations. iteration 493: trace = 2.429160134545369 (1.09662e-07% change) linmin: converged after 5 iterations. iteration 494: trace = 2.429160132729607 (7.47485e-08% change) large trace change predicted (2.19501e-07%) linmin: converged after 8 iterations. iteration 495: trace = 2.429160127397544 (2.19502e-07% change) linmin: converged after 16 iterations. iteration 496: trace = 2.429160125965343 (5.89587e-08% change) large trace change predicted (2.6351e-07%) linmin: converged after 3 iterations. iteration 497: trace = 2.429160119564294 (2.63509e-07% change) linmin: converged after 8 iterations. iteration 498: trace = 2.429160116734033 (1.16512e-07% change) linmin: converged after 3 iterations. iteration 499: trace = 2.429160115191659 (6.34941e-08% change) large trace change predicted (1.9236e-07%) linmin: converged after 3 iterations. iteration 500: trace = 2.429160110518885 (1.92362e-07% change) linmin: converged after 12 iterations. iteration 501: trace = 2.429160105528207 (2.05449e-07% change) linmin: converged after 15 iterations. iteration 502: trace = 2.429160102894765 (1.0841e-07% change) large trace change predicted (3.11111e-07%) linmin: converged after 23 iterations. iteration 503: trace = 2.429160095337199 (3.11118e-07% change) linmin: converged after 6 iterations. iteration 504: trace = 2.429160092159261 (1.30825e-07% change) large trace change predicted (3.09998e-07%) linmin: converged after 5 iterations. iteration 505: trace = 2.42916008462877 (3.10004e-07% change) linmin: converged after 7 iterations. iteration 506: trace = 2.42916007621103 (3.46529e-07% change) linmin: converged after 3 iterations. iteration 507: trace = 2.429160071827713 (1.80446e-07% change) linmin: converged after 7 iterations. iteration 508: trace = 2.429160067386099 (1.82846e-07% change) linmin: converged after 4 iterations. iteration 509: trace = 2.42916006115866 (2.56362e-07% change) linmin: converged after 4 iterations. iteration 510: trace = 2.429160059047279 (8.69181e-08% change) linmin: converged after 4 iterations. iteration 511: trace = 2.429160056746093 (9.47318e-08% change) linmin: converged after 4 iterations. iteration 512: trace = 2.429160054673741 (8.53115e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.429160053823607 (3.4997e-08% change) linmin: converged after 4 iterations. iteration 514: trace = 2.429160052906892 (3.77379e-08% change) large trace change predicted (1.10361e-07%) linmin: converged after 7 iterations. iteration 515: trace = 2.429160050226149 (1.10357e-07% change) linmin: converged after 8 iterations. iteration 516: trace = 2.429160049619317 (2.49812e-08% change) large trace change predicted (1.03891e-07%) linmin: converged after 4 iterations. iteration 517: trace = 2.429160047095664 (1.0389e-07% change) linmin: converged after 8 iterations. iteration 518: trace = 2.42916004369386 (1.4004e-07% change) linmin: converged after 6 iterations. iteration 519: trace = 2.429160042766972 (3.81567e-08% change) large trace change predicted (1.87188e-07%) linmin: converged after 4 iterations. iteration 520: trace = 2.429160038220054 (1.87181e-07% change) linmin: converged after 6 iterations. iteration 521: trace = 2.429160035383047 (1.1679e-07% change) linmin: converged after 7 iterations. iteration 522: trace = 2.429160031368913 (1.65248e-07% change) linmin: converged after 14 iterations. iteration 523: trace = 2.429160029550924 (7.48402e-08% change) large trace change predicted (1.99251e-07%) linmin: converged after 7 iterations. iteration 524: trace = 2.429160024711098 (1.99239e-07% change) linmin: converged after 9 iterations. iteration 525: trace = 2.429160023518538 (4.90935e-08% change) large trace change predicted (2.43829e-07%) linmin: converged after 4 iterations. iteration 526: trace = 2.429160017595835 (2.43817e-07% change) linmin: converged after 8 iterations. iteration 527: trace = 2.429160012997484 (1.89298e-07% change) linmin: converged after 4 iterations. iteration 528: trace = 2.429160010747484 (9.26246e-08% change) linmin: converged after 7 iterations. iteration 529: trace = 2.429160007290114 (1.42328e-07% change) linmin: converged after 6 iterations. iteration 530: trace = 2.429160004353959 (1.20871e-07% change) linmin: converged after 13 iterations. iteration 531: trace = 2.4291600034548 (3.70152e-08% change) large trace change predicted (9.26542e-08%) linmin: converged after 6 iterations. iteration 532: trace = 2.429160001204094 (9.26537e-08% change) linmin: converged after 4 iterations. iteration 533: trace = 2.429159999953416 (5.1486e-08% change) linmin: converged after 30 iterations. iteration 534: trace = 2.429159998640363 (5.40538e-08% change) linmin: converged after 2 iterations. iteration 535: trace = 2.429159997603382 (4.26888e-08% change) linmin: converged after 4 iterations. iteration 536: trace = 2.429159996198432 (5.78369e-08% change) linmin: converged after 3 iterations. iteration 537: trace = 2.429159995773238 (1.75037e-08% change) large trace change predicted (1.01276e-07%) linmin: converged after 12 iterations. iteration 538: trace = 2.429159993313064 (1.01277e-07% change) linmin: converged after 7 iterations. iteration 539: trace = 2.42915999214017 (4.82839e-08% change) large trace change predicted (9.70116e-08%) linmin: converged after 4 iterations. iteration 540: trace = 2.429159989783568 (9.7013e-08% change) linmin: converged after 4 iterations. iteration 541: trace = 2.429159986517198 (1.34465e-07% change) linmin: converged after 2 iterations. iteration 542: trace = 2.429159985396192 (4.61479e-08% change) large trace change predicted (1.71976e-07%) linmin: converged after 4 iterations. iteration 543: trace = 2.429159981218528 (1.7198e-07% change) linmin: converged after 17 iterations. iteration 544: trace = 2.429159977633575 (1.4758e-07% change) linmin: converged after 4 iterations. iteration 545: trace = 2.429159976264367 (5.63655e-08% change) large trace change predicted (2.14959e-07%) linmin: converged after 10 iterations. iteration 546: trace = 2.429159971042408 (2.1497e-07% change) linmin: converged after 7 iterations. iteration 547: trace = 2.429159967060587 (1.63918e-07% change) linmin: converged after 9 iterations. iteration 548: trace = 2.42915996621577 (3.47781e-08% change) large trace change predicted (1.35427e-07%) linmin: converged after 6 iterations. iteration 549: trace = 2.429159962925931 (1.35431e-07% change) linmin: converged after 32 iterations. iteration 550: trace = 2.429159961511705 (5.82187e-08% change) linmin: converged after 9 iterations. iteration 551: trace = 2.429159960614168 (3.69484e-08% change) large trace change predicted (1.1284e-07%) linmin: converged after 10 iterations. iteration 552: trace = 2.429159957873047 (1.12842e-07% change) linmin: converged after 4 iterations. iteration 553: trace = 2.429159956828478 (4.30013e-08% change) linmin: converged after 4 iterations. iteration 554: trace = 2.429159955707717 (4.61378e-08% change) linmin: converged after 4 iterations. iteration 555: trace = 2.429159953635327 (8.5313e-08% change) linmin: converged after 4 iterations. iteration 556: trace = 2.429159952567418 (4.39621e-08% change) linmin: converged after 4 iterations. iteration 557: trace = 2.42915995209386 (1.94947e-08% change) linmin: converged after 3 iterations. iteration 558: trace = 2.429159951198521 (3.6858e-08% change) large trace change predicted (1.36283e-07%) linmin: converged after 8 iterations. iteration 559: trace = 2.429159947887974 (1.36284e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.429159945619617 (9.33803e-08% change) linmin: converged after 4 iterations. iteration 561: trace = 2.429159944225417 (5.73943e-08% change) linmin: converged after 6 iterations. iteration 562: trace = 2.429159943810292 (1.70893e-08% change) linmin: converged after 4 iterations. iteration 563: trace = 2.429159943266191 (2.23987e-08% change) large trace change predicted (8.02862e-08%) linmin: converged after 5 iterations. iteration 564: trace = 2.429159941315925 (8.02856e-08% change) linmin: converged after 4 iterations. iteration 565: trace = 2.429159940820047 (2.04136e-08% change) large trace change predicted (6.08647e-08%) linmin: converged after 4 iterations. iteration 566: trace = 2.429159939341557 (6.08643e-08% change) linmin: converged after 14 iterations. iteration 567: trace = 2.429159937987567 (5.5739e-08% change) linmin: converged after 4 iterations. iteration 568: trace = 2.429159937489906 (2.0487e-08% change) large trace change predicted (7.53502e-08%) linmin: converged after 10 iterations. iteration 569: trace = 2.429159935659628 (7.53461e-08% change) linmin: converged after 5 iterations. iteration 570: trace = 2.42915993421171 (5.96057e-08% change) linmin: converged after 3 iterations. iteration 571: trace = 2.429159933553923 (2.70788e-08% change) large trace change predicted (1.16014e-07%) linmin: converged after 15 iterations. iteration 572: trace = 2.429159930735858 (1.1601e-07% change) linmin: converged after 11 iterations. iteration 573: trace = 2.42915992974513 (4.07848e-08% change) large trace change predicted (1.21538e-07%) linmin: converged after 26 iterations. iteration 574: trace = 2.429159926792872 (1.21534e-07% change) linmin: converged after 14 iterations. iteration 575: trace = 2.429159924762228 (8.35945e-08% change) linmin: converged after 11 iterations. iteration 576: trace = 2.429159922770588 (8.19889e-08% change) linmin: converged after 7 iterations. iteration 577: trace = 2.42915992195133 (3.3726e-08% change) large trace change predicted (7.86519e-08%) linmin: converged after 4 iterations. iteration 578: trace = 2.429159920040788 (7.86503e-08% change) linmin: converged after 6 iterations. iteration 579: trace = 2.429159919300949 (3.04566e-08% change) linmin: converged after 4 iterations. iteration 580: trace = 2.429159918469713 (3.4219e-08% change) linmin: converged after 19 iterations. iteration 581: trace = 2.429159917560508 (3.74288e-08% change) linmin: converged after 6 iterations. iteration 582: trace = 2.429159917268661 (1.20143e-08% change) linmin: converged after 3 iterations. iteration 583: trace = 2.429159916816157 (1.8628e-08% change) linmin: converged after 6 iterations. iteration 584: trace = 2.429159916258878 (2.29412e-08% change) linmin: converged after 5 iterations. iteration 585: trace = 2.42915991547506 (3.2267e-08% change) linmin: converged after 14 iterations. iteration 586: trace = 2.429159915268955 (8.48465e-09% change) large trace change predicted (4.5446e-08%) linmin: converged after 24 iterations. iteration 587: trace = 2.429159914164989 (4.54464e-08% change) linmin: converged after 5 iterations. iteration 588: trace = 2.429159913628775 (2.20741e-08% change) linmin: converged after 5 iterations. iteration 589: trace = 2.429159913056678 (2.35512e-08% change) large trace change predicted (5.75605e-08%) linmin: converged after 4 iterations. iteration 590: trace = 2.429159911658389 (5.75626e-08% change) linmin: converged after 4 iterations. iteration 591: trace = 2.429159910347674 (5.39576e-08% change) linmin: converged after 6 iterations. iteration 592: trace = 2.429159909650985 (2.86802e-08% change) large trace change predicted (8.3773e-08%) linmin: converged after 17 iterations. iteration 593: trace = 2.429159907615959 (8.37749e-08% change) linmin: converged after 6 iterations. iteration 594: trace = 2.429159907006183 (2.51023e-08% change) large trace change predicted (7.01285e-08%) linmin: converged after 4 iterations. iteration 595: trace = 2.429159905302602 (7.01305e-08% change) linmin: converged after 16 iterations. iteration 596: trace = 2.429159904225642 (4.43347e-08% change) linmin: converged after 6 iterations. iteration 597: trace = 2.429159903421816 (3.30907e-08% change) linmin: converged after 4 iterations. iteration 598: trace = 2.429159902865782 (2.289e-08% change) large trace change predicted (4.80762e-08%) linmin: converged after 2 iterations. iteration 599: trace = 2.429159901697921 (4.80767e-08% change) linmin: converged after 4 iterations. iteration 600: trace = 2.429159901434025 (1.08637e-08% change) large trace change predicted (3.87386e-08%) linmin: converged after 4 iterations. iteration 601: trace = 2.429159900492991 (3.87391e-08% change) linmin: converged after 12 iterations. iteration 602: trace = 2.429159899823337 (2.75673e-08% change) linmin: converged after 13 iterations. iteration 603: trace = 2.429159899480456 (1.41152e-08% change) linmin: converged after 5 iterations. iteration 604: trace = 2.429159899170993 (1.27395e-08% change) linmin: converged after 4 iterations. iteration 605: trace = 2.429159898725686 (1.83317e-08% change) linmin: converged after 4 iterations. iteration 606: trace = 2.429159898475882 (1.02835e-08% change) linmin: converged after 3 iterations. iteration 607: trace = 2.429159898219494 (1.05546e-08% change) large trace change predicted (2.7167e-08%) linmin: converged after 4 iterations. iteration 608: trace = 2.429159897559575 (2.71666e-08% change) linmin: converged after 13 iterations. iteration 609: trace = 2.429159897437141 (5.04016e-09% change) large trace change predicted (4.4209e-08%) linmin: converged after 7 iterations. iteration 610: trace = 2.429159896363256 (4.42081e-08% change) linmin: converged after 8 iterations. iteration 611: trace = 2.429159895991292 (1.53125e-08% change) large trace change predicted (3.77759e-08%) linmin: converged after 15 iterations. iteration 612: trace = 2.429159895073667 (3.77754e-08% change) linmin: converged after 4 iterations. iteration 613: trace = 2.429159893485998 (6.53588e-08% change) linmin: converged after 15 iterations. iteration 614: trace = 2.429159891590764 (7.80202e-08% change) linmin: converged after 4 iterations. iteration 615: trace = 2.429159891078084 (2.11052e-08% change) large trace change predicted (4.72098e-08%) linmin: converged after 4 iterations. iteration 616: trace = 2.429159889931285 (4.72097e-08% change) linmin: converged after 4 iterations. iteration 617: trace = 2.429159889318 (2.52468e-08% change) linmin: converged after 30 iterations. iteration 618: trace = 2.429159888699695 (2.54534e-08% change) linmin: converged after 7 iterations. iteration 619: trace = 2.42915988808479 (2.53135e-08% change) linmin: converged after 3 iterations. iteration 620: trace = 2.429159887817831 (1.09898e-08% change) linmin: converged after 4 iterations. iteration 621: trace = 2.429159887443118 (1.54256e-08% change) large trace change predicted (3.52274e-08%) linmin: converged after 6 iterations. iteration 622: trace = 2.429159886587396 (3.52271e-08% change) linmin: converged after 4 iterations. iteration 623: trace = 2.429159886219932 (1.51272e-08% change) linmin: converged after 4 iterations. iteration 624: trace = 2.429159885948714 (1.11651e-08% change) linmin: converged after 5 iterations. iteration 625: trace = 2.429159885480614 (1.927e-08% change) linmin: converged after 3 iterations. iteration 626: trace = 2.429159885063529 (1.71699e-08% change) linmin: converged after 4 iterations. iteration 627: trace = 2.429159884801017 (1.08067e-08% change) linmin: converged after 24 iterations. iteration 628: trace = 2.429159884308785 (2.02635e-08% change) linmin: converged after 4 iterations. iteration 629: trace = 2.42915988409879 (8.64476e-09% change) resetting CG direction... linmin: converged after 29 iterations. iteration 630: trace = 2.429159883923386 (7.22077e-09% change) large trace change predicted (1.59748e-08%) linmin: converged after 10 iterations. iteration 631: trace = 2.429159883535328 (1.5975e-08% change) linmin: converged after 4 iterations. iteration 632: trace = 2.429159883309192 (9.30923e-09% change) linmin: converged after 14 iterations. iteration 633: trace = 2.429159882988082 (1.3219e-08% change) linmin: converged after 4 iterations. iteration 634: trace = 2.429159882496865 (2.02217e-08% change) linmin: converged after 2 iterations. iteration 635: trace = 2.429159882247063 (1.02835e-08% change) linmin: converged after 25 iterations. iteration 636: trace = 2.429159881992391 (1.0484e-08% change) large trace change predicted (2.88008e-08%) linmin: converged after 6 iterations. iteration 637: trace = 2.429159881292772 (2.88008e-08% change) linmin: converged after 10 iterations. iteration 638: trace = 2.429159880957295 (1.38104e-08% change) linmin: converged after 5 iterations. iteration 639: trace = 2.429159880728038 (9.43771e-09% change) linmin: converged after 11 iterations. iteration 640: trace = 2.429159880344708 (1.57804e-08% change) linmin: converged after 13 iterations. iteration 641: trace = 2.429159879948127 (1.63258e-08% change) linmin: converged after 7 iterations. iteration 642: trace = 2.429159879561123 (1.59316e-08% change) large trace change predicted (3.48015e-08%) linmin: converged after 4 iterations. iteration 643: trace = 2.429159878715728 (3.48019e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.429159878436534 (1.14935e-08% change) large trace change predicted (3.45312e-08%) linmin: converged after 7 iterations. iteration 645: trace = 2.429159877597703 (3.45317e-08% change) linmin: converged after 6 iterations. iteration 646: trace = 2.429159876729011 (3.5761e-08% change) linmin: converged after 8 iterations. iteration 647: trace = 2.429159876464457 (1.08907e-08% change) large trace change predicted (2.41291e-08%) linmin: converged after 2 iterations. iteration 648: trace = 2.429159875878322 (2.41291e-08% change) linmin: converged after 4 iterations. iteration 649: trace = 2.429159875298402 (2.38733e-08% change) linmin: converged after 3 iterations. iteration 650: trace = 2.429159875204298 (3.87391e-09% change) large trace change predicted (1.46253e-08%) linmin: converged after 4 iterations. iteration 651: trace = 2.429159874849023 (1.46254e-08% change) linmin: converged after 11 iterations. iteration 652: trace = 2.429159874748661 (4.13155e-09% change) linmin: converged after 27 iterations. iteration 653: trace = 2.429159874562753 (7.65319e-09% change) linmin: converged after 4 iterations. iteration 654: trace = 2.429159874428725 (5.51746e-09% change) linmin: converged after 4 iterations. iteration 655: trace = 2.429159874216798 (8.72429e-09% change) linmin: converged after 2 iterations. iteration 656: trace = 2.429159874102526 (4.70418e-09% change) large trace change predicted (1.32912e-08%) linmin: converged after 9 iterations. iteration 657: trace = 2.429159873779663 (1.32911e-08% change) linmin: converged after 24 iterations. iteration 658: trace = 2.429159873549111 (9.49102e-09% change) linmin: converged after 6 iterations. iteration 659: trace = 2.429159873373596 (7.22536e-09% change) large trace change predicted (2.2156e-08%) linmin: converged after 19 iterations. iteration 660: trace = 2.429159872835396 (2.21558e-08% change) linmin: converged after 3 iterations. iteration 661: trace = 2.429159872705757 (5.33676e-09% change) large trace change predicted (1.60297e-08%) linmin: converged after 31 iterations. iteration 662: trace = 2.429159872316372 (1.60296e-08% change) linmin: converged after 10 iterations. iteration 663: trace = 2.429159871935425 (1.56823e-08% change) linmin: converged after 7 iterations. iteration 664: trace = 2.429159871486376 (1.84858e-08% change) linmin: converged after 6 iterations. iteration 665: trace = 2.429159871357078 (5.32276e-09% change) large trace change predicted (3.18053e-08%) linmin: converged after 5 iterations. iteration 666: trace = 2.429159870584503 (3.18042e-08% change) linmin: converged after 6 iterations. iteration 667: trace = 2.429159870173317 (1.69271e-08% change) linmin: converged after 4 iterations. iteration 668: trace = 2.429159869950629 (9.16731e-09% change) linmin: converged after 4 iterations. iteration 669: trace = 2.429159869614651 (1.3831e-08% change) linmin: converged after 8 iterations. iteration 670: trace = 2.429159869436647 (7.32781e-09% change) linmin: converged after 14 iterations. iteration 671: trace = 2.429159869217567 (9.01873e-09% change) linmin: converged after 15 iterations. iteration 672: trace = 2.429159869002919 (8.8363e-09% change) linmin: converged after 16 iterations. iteration 673: trace = 2.42915986891721 (3.52835e-09% change) large trace change predicted (7.80294e-09%) linmin: converged after 4 iterations. iteration 674: trace = 2.429159868727664 (7.80293e-09% change) linmin: converged after 24 iterations. iteration 675: trace = 2.429159868574475 (6.30627e-09% change) linmin: converged after 21 iterations. iteration 676: trace = 2.429159868526776 (1.96361e-09% change) linmin: converged after 9 iterations. iteration 677: trace = 2.429159868433023 (3.85948e-09% change) large trace change predicted (9.62991e-09%) linmin: converged after 18 iterations. iteration 678: trace = 2.429159868199096 (9.62996e-09% change) linmin: converged after 4 iterations. iteration 679: trace = 2.429159868151658 (1.95284e-09% change) large trace change predicted (1.36815e-08%) linmin: converged after 4 iterations. iteration 680: trace = 2.429159867819307 (1.36817e-08% change) linmin: converged after 6 iterations. iteration 681: trace = 2.429159867476866 (1.40971e-08% change) linmin: converged after 23 iterations. iteration 682: trace = 2.429159867353786 (5.06676e-09% change) large trace change predicted (1.91499e-08%) linmin: converged after 9 iterations. iteration 683: trace = 2.429159866888595 (1.91503e-08% change) linmin: converged after 7 iterations. iteration 684: trace = 2.429159866552485 (1.38365e-08% change) linmin: converged after 18 iterations. iteration 685: trace = 2.429159866404837 (6.07814e-09% change) large trace change predicted (1.86731e-08%) linmin: converged after 4 iterations. iteration 686: trace = 2.429159865951227 (1.86736e-08% change) linmin: converged after 23 iterations. iteration 687: trace = 2.429159865647892 (1.24872e-08% change) linmin: converged after 8 iterations. iteration 688: trace = 2.429159865493814 (6.34284e-09% change) large trace change predicted (1.51764e-08%) linmin: converged after 4 iterations. iteration 689: trace = 2.42915986512515 (1.51766e-08% change) linmin: converged after 31 iterations. iteration 690: trace = 2.429159864961798 (6.72467e-09% change) linmin: converged after 13 iterations. iteration 691: trace = 2.429159864877884 (3.45444e-09% change) large trace change predicted (1.31379e-08%) linmin: converged after 10 iterations. iteration 692: trace = 2.429159864558741 (1.3138e-08% change) linmin: converged after 8 iterations. iteration 693: trace = 2.429159864388079 (7.02554e-09% change) linmin: converged after 15 iterations. iteration 694: trace = 2.429159864329951 (2.39295e-09% change) large trace change predicted (7.26982e-09%) linmin: converged after 28 iterations. iteration 695: trace = 2.429159864153355 (7.26982e-09% change) linmin: converged after 14 iterations. iteration 696: trace = 2.429159864047011 (4.37782e-09% change) linmin: converged after 4 iterations. iteration 697: trace = 2.42915986398621 (2.50293e-09% change) linmin: converged after 7 iterations. iteration 698: trace = 2.429159863893809 (3.80383e-09% change) large trace change predicted (1.34954e-08%) linmin: converged after 20 iterations. iteration 699: trace = 2.429159863565991 (1.34951e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 700: trace = 2.429159863368707 (8.12149e-09% change) linmin: converged after 12 iterations. iteration 701: trace = 2.429159863198481 (7.00765e-09% change) linmin: converged after 21 iterations. iteration 702: trace = 2.429159863161707 (1.51383e-09% change) large trace change predicted (3.28016e-09%) linmin: converged after 4 iterations. iteration 703: trace = 2.429159863082028 (3.2801e-09% change) large trace change predicted (6.83995e-09%) linmin: converged after 4 iterations. iteration 704: trace = 2.429159862915878 (6.83984e-09% change) linmin: converged after 18 iterations. iteration 705: trace = 2.429159862882806 (1.36145e-09% change) large trace change predicted (7.31193e-09%) linmin: converged after 20 iterations. iteration 706: trace = 2.429159862705189 (7.31187e-09% change) linmin: converged after 3 iterations. iteration 707: trace = 2.429159862567829 (5.65464e-09% change) linmin: converged after 33 iterations. iteration 708: trace = 2.42915986249851 (2.85359e-09% change) large trace change predicted (8.25612e-09%) linmin: converged after 6 iterations. iteration 709: trace = 2.429159862297957 (8.25608e-09% change) linmin: converged after 2 iterations. iteration 710: trace = 2.429159862167181 (5.38356e-09% change) linmin: converged after 28 iterations. iteration 711: trace = 2.429159862072796 (3.88552e-09% change) large trace change predicted (1.01987e-08%) linmin: converged after 4 iterations. iteration 712: trace = 2.429159861825058 (1.01985e-08% change) linmin: converged after 6 iterations. iteration 713: trace = 2.429159861654926 (7.00372e-09% change) linmin: converged after 4 iterations. iteration 714: trace = 2.429159861493386 (6.65006e-09% change) linmin: converged after 7 iterations. iteration 715: trace = 2.42915986120419 (1.19052e-08% change) linmin: converged after 6 iterations. iteration 716: trace = 2.42915986112252 (3.36206e-09% change) large trace change predicted (7.07413e-09%) linmin: converged after 7 iterations. iteration 717: trace = 2.42915986095068 (7.07405e-09% change) linmin: converged after 12 iterations. iteration 718: trace = 2.429159860700708 (1.02905e-08% change) linmin: converged after 18 iterations. iteration 719: trace = 2.429159860617927 (3.4078e-09% change) linmin: converged after 23 iterations. iteration 720: trace = 2.429159860521937 (3.95157e-09% change) linmin: converged after 16 iterations. iteration 721: trace = 2.429159860440143 (3.36716e-09% change) linmin: converged after 4 iterations. iteration 722: trace = 2.429159860417119 (9.47828e-10% change) large trace change predicted (3.15202e-09%) linmin: converged after 4 iterations. iteration 723: trace = 2.429159860340548 (3.15215e-09% change) linmin: converged after 15 iterations. iteration 724: trace = 2.429159860295953 (1.83584e-09% change) linmin: converged after 9 iterations. iteration 725: trace = 2.429159860239705 (2.31553e-09% change) linmin: converged after 6 iterations. iteration 726: trace = 2.429159860196932 (1.76081e-09% change) large trace change predicted (5.06939e-09%) linmin: converged after 6 iterations. iteration 727: trace = 2.429159860073788 (5.06943e-09% change) linmin: converged after 22 iterations. iteration 728: trace = 2.42915986005199 (8.97334e-10% change) large trace change predicted (5.36955e-09%) linmin: converged after 4 iterations. iteration 729: trace = 2.429159859921552 (5.36969e-09% change) linmin: converged after 4 iterations. iteration 730: trace = 2.429159859801484 (4.94278e-09% change) linmin: converged after 4 iterations. iteration 731: trace = 2.429159859628455 (7.12299e-09% change) linmin: converged after 11 iterations. iteration 732: trace = 2.429159859563245 (2.68447e-09% change) large trace change predicted (7.67191e-09%) linmin: converged after 4 iterations. iteration 733: trace = 2.429159859376881 (7.67195e-09% change) linmin: converged after 4 iterations. iteration 734: trace = 2.429159859252292 (5.1289e-09% change) linmin: converged after 5 iterations. iteration 735: trace = 2.429159859139257 (4.65325e-09% change) linmin: converged after 7 iterations. iteration 736: trace = 2.42915985900953 (5.34042e-09% change) linmin: converged after 18 iterations. iteration 737: trace = 2.429159858931232 (3.22323e-09% change) linmin: converged after 4 iterations. iteration 738: trace = 2.429159858883374 (1.97017e-09% change) large trace change predicted (5.35956e-09%) linmin: converged after 9 iterations. iteration 739: trace = 2.42915985875318 (5.35963e-09% change) linmin: converged after 4 iterations. iteration 740: trace = 2.429159858672493 (3.32158e-09% change) linmin: converged after 16 iterations. iteration 741: trace = 2.429159858617272 (2.27326e-09% change) linmin: converged after 20 iterations. iteration 742: trace = 2.429159858552005 (2.68681e-09% change) linmin: converged after 9 iterations. iteration 743: trace = 2.429159858526139 (1.06479e-09% change) linmin: converged after 7 iterations. iteration 744: trace = 2.429159858485464 (1.67447e-09% change) linmin: converged after 17 iterations. iteration 745: trace = 2.429159858428432 (2.34781e-09% change) linmin: converged after 4 iterations. iteration 746: trace = 2.429159858394494 (1.3971e-09% change) linmin: converged after 2 iterations. iteration 747: trace = 2.429159858376924 (7.23293e-10% change) large trace change predicted (2.67914e-09%) linmin: converged after 11 iterations. iteration 748: trace = 2.429159858311844 (2.67913e-09% change) linmin: converged after 6 iterations. iteration 749: trace = 2.429159858297105 (6.06748e-10% change) large trace change predicted (4.60515e-09%) linmin: converged after 8 iterations. iteration 750: trace = 2.429159858185237 (4.60519e-09% change) linmin: converged after 25 iterations. iteration 751: trace = 2.429159858070221 (4.73484e-09% change) linmin: converged after 13 iterations. iteration 752: trace = 2.429159857999704 (2.90293e-09% change) linmin: converged after 14 iterations. iteration 753: trace = 2.429159857874695 (5.14616e-09% change) linmin: converged after 4 iterations. iteration 754: trace = 2.429159857737366 (5.65336e-09% change) linmin: converged after 4 iterations. iteration 755: trace = 2.429159857643179 (3.87734e-09% change) linmin: converged after 15 iterations. iteration 756: trace = 2.42915985751941 (5.09514e-09% change) linmin: converged after 4 iterations. iteration 757: trace = 2.429159857414316 (4.32634e-09% change) linmin: converged after 4 iterations. iteration 758: trace = 2.429159857390589 (9.76786e-10% change) large trace change predicted (2.9025e-09%) linmin: converged after 8 iterations. iteration 759: trace = 2.429159857320083 (2.90248e-09% change) linmin: converged after 17 iterations. iteration 760: trace = 2.429159857269182 (2.09542e-09% change) linmin: converged after 3 iterations. iteration 761: trace = 2.429159857240542 (1.179e-09% change) linmin: converged after 21 iterations. iteration 762: trace = 2.429159857183744 (2.33818e-09% change) linmin: converged after 4 iterations. iteration 763: trace = 2.429159857119314 (2.65237e-09% change) linmin: converged after 4 iterations. iteration 764: trace = 2.42915985710589 (5.52598e-10% change) large trace change predicted (3.08551e-09%) linmin: converged after 14 iterations. iteration 765: trace = 2.429159857030935 (3.08562e-09% change) linmin: converged after 3 iterations. iteration 766: trace = 2.429159856986197 (1.84172e-09% change) linmin: converged after 4 iterations. iteration 767: trace = 2.429159856963364 (9.39967e-10% change) linmin: converged after 3 iterations. iteration 768: trace = 2.429159856926341 (1.52408e-09% change) large trace change predicted (3.62215e-09%) linmin: converged after 3 iterations. iteration 769: trace = 2.429159856838353 (3.62219e-09% change) resetting CG direction... linmin: converged after 8 iterations. iteration 770: trace = 2.429159856799472 (1.60059e-09% change) linmin: converged after 4 iterations. iteration 771: trace = 2.429159856746584 (2.17719e-09% change) linmin: converged after 15 iterations. iteration 772: trace = 2.429159856716447 (1.24064e-09% change) linmin: converged after 4 iterations. iteration 773: trace = 2.429159856692969 (9.66493e-10% change) linmin: converged after 22 iterations. iteration 774: trace = 2.429159856646284 (1.92189e-09% change) linmin: converged after 4 iterations. iteration 775: trace = 2.429159856610489 (1.47355e-09% change) linmin: converged after 2 iterations. iteration 776: trace = 2.429159856584426 (1.07289e-09% change) large trace change predicted (2.55169e-09%) linmin: converged after 17 iterations. iteration 777: trace = 2.42915985652244 (2.55176e-09% change) linmin: converged after 14 iterations. iteration 778: trace = 2.429159856504473 (7.39637e-10% change) large trace change predicted (1.88245e-09%) linmin: converged after 6 iterations. iteration 779: trace = 2.429159856458738 (1.88273e-09% change) linmin: converged after 6 iterations. iteration 780: trace = 2.429159856419581 (1.61198e-09% change) linmin: converged after 18 iterations. iteration 781: trace = 2.429159856393265 (1.08333e-09% change) linmin: converged after 7 iterations. iteration 782: trace = 2.429159856353518 (1.63624e-09% change) linmin: converged after 9 iterations. iteration 783: trace = 2.429159856283865 (2.86738e-09% change) linmin: converged after 4 iterations. iteration 784: trace = 2.429159856262734 (8.69875e-10% change) large trace change predicted (3.35012e-09%) linmin: converged after 21 iterations. iteration 785: trace = 2.429159856181355 (3.3501e-09% change) linmin: converged after 8 iterations. iteration 786: trace = 2.429159856082024 (4.08912e-09% change) linmin: converged after 8 iterations. iteration 787: trace = 2.429159856052705 (1.20693e-09% change) large trace change predicted (3.68821e-09%) linmin: converged after 9 iterations. iteration 788: trace = 2.429159855963104 (3.68857e-09% change) linmin: converged after 21 iterations. iteration 789: trace = 2.429159855906845 (2.316e-09% change) linmin: converged after 4 iterations. iteration 790: trace = 2.429159855878486 (1.16744e-09% change) linmin: converged after 6 iterations. iteration 791: trace = 2.429159855854222 (9.9887e-10% change) linmin: converged after 4 iterations. iteration 792: trace = 2.429159855829516 (1.01704e-09% change) linmin: converged after 15 iterations. iteration 793: trace = 2.429159855821952 (3.11372e-10% change) linmin: converged after 15 iterations. iteration 794: trace = 2.429159855807795 (5.82817e-10% change) linmin: converged after 5 iterations. iteration 795: trace = 2.42915985578569 (9.09966e-10% change) linmin: converged after 25 iterations. iteration 796: trace = 2.42915985577738 (3.42104e-10% change) large trace change predicted (1.07094e-09%) linmin: converged after 16 iterations. iteration 797: trace = 2.429159855751367 (1.07084e-09% change) linmin: converged after 4 iterations. iteration 798: trace = 2.42915985573058 (8.55743e-10% change) linmin: converged after 16 iterations. iteration 799: trace = 2.429159855714111 (6.77991e-10% change) large trace change predicted (2.15748e-09%) linmin: converged after 16 iterations. iteration 800: trace = 2.429159855661696 (2.15772e-09% change) linmin: converged after 19 iterations. iteration 801: trace = 2.429159855624209 (1.5432e-09% change) linmin: converged after 6 iterations. iteration 802: trace = 2.429159855605723 (7.61026e-10% change) large trace change predicted (1.77823e-09%) linmin: converged after 4 iterations. iteration 803: trace = 2.429159855562526 (1.77823e-09% change) linmin: converged after 24 iterations. iteration 804: trace = 2.429159855534095 (1.17042e-09% change) linmin: converged after 6 iterations. iteration 805: trace = 2.429159855512275 (8.98266e-10% change) large trace change predicted (3.05571e-09%) linmin: converged after 22 iterations. iteration 806: trace = 2.429159855438048 (3.05564e-09% change) linmin: converged after 17 iterations. iteration 807: trace = 2.42915985540259 (1.45969e-09% change) linmin: converged after 3 iterations. iteration 808: trace = 2.429159855367566 (1.44181e-09% change) linmin: converged after 4 iterations. iteration 809: trace = 2.429159855322313 (1.86291e-09% change) linmin: converged after 6 iterations. iteration 810: trace = 2.429159855291077 (1.28587e-09% change) linmin: converged after 13 iterations. iteration 811: trace = 2.429159855278996 (4.97333e-10% change) linmin: converged after 3 iterations. iteration 812: trace = 2.429159855256762 (9.15305e-10% change) linmin: converged after 18 iterations. iteration 813: trace = 2.42915985523806 (7.69875e-10% change) linmin: converged after 9 iterations. iteration 814: trace = 2.429159855224551 (5.56108e-10% change) linmin: converged after 13 iterations. iteration 815: trace = 2.429159855203754 (8.56164e-10% change) linmin: converged after 4 iterations. iteration 816: trace = 2.429159855200197 (1.46417e-10% change) large trace change predicted (5.14569e-10%) linmin: converged after 4 iterations. iteration 817: trace = 2.429159855187692 (5.14791e-10% change) linmin: converged after 4 iterations. iteration 818: trace = 2.429159855171314 (6.74225e-10% change) linmin: converged after 15 iterations. iteration 819: trace = 2.429159855164816 (2.67496e-10% change) large trace change predicted (7.95636e-10%) linmin: converged after 12 iterations. iteration 820: trace = 2.429159855145489 (7.95633e-10% change) linmin: converged after 4 iterations. iteration 821: trace = 2.429159855112638 (1.35234e-09% change) linmin: converged after 6 iterations. iteration 822: trace = 2.429159855100644 (4.93749e-10% change) large trace change predicted (1.91275e-09%) linmin: converged after 5 iterations. iteration 823: trace = 2.42915985505418 (1.91279e-09% change) linmin: converged after 25 iterations. iteration 824: trace = 2.429159855017095 (1.52666e-09% change) linmin: converged after 6 iterations. iteration 825: trace = 2.429159854997339 (8.13293e-10% change) large trace change predicted (1.63686e-09%) linmin: converged after 4 iterations. iteration 826: trace = 2.429159854957575 (1.63692e-09% change) linmin: converged after 4 iterations. iteration 827: trace = 2.42915985491432 (1.78068e-09% change) linmin: converged after 4 iterations. iteration 828: trace = 2.429159854907358 (2.86601e-10% change) large trace change predicted (1.79346e-09%) linmin: converged after 4 iterations. iteration 829: trace = 2.42915985486379 (1.79353e-09% change) linmin: converged after 18 iterations. iteration 830: trace = 2.429159854846151 (7.26108e-10% change) linmin: converged after 3 iterations. iteration 831: trace = 2.429159854836618 (3.92469e-10% change) large trace change predicted (1.09824e-09%) linmin: converged after 5 iterations. iteration 832: trace = 2.429159854809941 (1.09819e-09% change) linmin: converged after 4 iterations. iteration 833: trace = 2.429159854791 (7.79747e-10% change) linmin: converged after 15 iterations. iteration 834: trace = 2.429159854773403 (7.24408e-10% change) linmin: converged after 5 iterations. iteration 835: trace = 2.429159854767259 (2.52926e-10% change) large trace change predicted (8.75339e-10%) linmin: converged after 5 iterations. iteration 836: trace = 2.429159854745992 (8.75451e-10% change) linmin: converged after 12 iterations. iteration 837: trace = 2.429159854741384 (1.89726e-10% change) linmin: converged after 12 iterations. iteration 838: trace = 2.429159854734171 (2.96911e-10% change) large trace change predicted (8.58242e-10%) linmin: converged after 5 iterations. iteration 839: trace = 2.42915985471332 (8.58358e-10% change) resetting CG direction... linmin: converged after 10 iterations. iteration 840: trace = 2.429159854701076 (5.0406e-10% change) linmin: converged after 3 iterations. iteration 841: trace = 2.429159854691718 (3.8523e-10% change) linmin: converged after 14 iterations. iteration 842: trace = 2.429159854683122 (3.53859e-10% change) linmin: converged after 4 iterations. iteration 843: trace = 2.429159854676287 (2.8139e-10% change) large trace change predicted (6.23336e-10%) linmin: converged after 4 iterations. iteration 844: trace = 2.429159854661141 (6.23512e-10% change) linmin: converged after 17 iterations. iteration 845: trace = 2.429159854645709 (6.35285e-10% change) linmin: converged after 12 iterations. iteration 846: trace = 2.429159854639871 (2.40312e-10% change) large trace change predicted (7.04149e-10%) linmin: converged after 8 iterations. iteration 847: trace = 2.429159854622764 (7.04225e-10% change) linmin: converged after 17 iterations. iteration 848: trace = 2.429159854607093 (6.45121e-10% change) linmin: converged after 4 iterations. iteration 849: trace = 2.429159854597993 (3.74626e-10% change) linmin: converged after 13 iterations. iteration 850: trace = 2.42915985458078 (7.08595e-10% change) linmin: converged after 17 iterations. iteration 851: trace = 2.429159854558398 (9.21411e-10% change) linmin: converged after 4 iterations. iteration 852: trace = 2.429159854548534 (4.06034e-10% change) large trace change predicted (1.13783e-09%) linmin: converged after 5 iterations. iteration 853: trace = 2.429159854520895 (1.13781e-09% change) linmin: converged after 7 iterations. iteration 854: trace = 2.429159854512265 (3.55285e-10% change) large trace change predicted (1.17134e-09%) linmin: converged after 5 iterations. iteration 855: trace = 2.429159854483814 (1.17123e-09% change) linmin: converged after 3 iterations. iteration 856: trace = 2.429159854463911 (8.19308e-10% change) linmin: converged after 4 iterations. iteration 857: trace = 2.429159854456307 (3.13054e-10% change) large trace change predicted (1.03806e-09%) linmin: converged after 6 iterations. iteration 858: trace = 2.429159854431086 (1.03825e-09% change) linmin: converged after 3 iterations. iteration 859: trace = 2.429159854414688 (6.75066e-10% change) linmin: converged after 5 iterations. iteration 860: trace = 2.42915985440996 (1.94626e-10% change) linmin: converged after 4 iterations. iteration 861: trace = 2.429159854403379 (2.70897e-10% change) linmin: converged after 3 iterations. iteration 862: trace = 2.42915985439579 (3.12432e-10% change) linmin: converged after 3 iterations. iteration 863: trace = 2.429159854393068 (1.12066e-10% change) linmin: converged after 19 iterations. iteration 864: trace = 2.429159854388425 (1.91134e-10% change) linmin: converged after 19 iterations. iteration 865: trace = 2.429159854379216 (3.79105e-10% change) linmin: converged after 6 iterations. iteration 866: trace = 2.429159854377398 (7.48266e-11% change) Finished solving for bands 1 to 10 after 866 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 elapsed time for k point: 7.2785632610321045 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.433380540443908 (3.19205% change) linmin: converged after 4 iterations. iteration 2: trace = 2.422814270845926 (0.435167% change) linmin: converged after 4 iterations. iteration 3: trace = 2.410436633345728 (0.512187% change) linmin: converged after 3 iterations. iteration 4: trace = 2.404737571830875 (0.236713% change) linmin: converged after 4 iterations. iteration 5: trace = 2.402921500695339 (0.0755491% change) linmin: converged after 4 iterations. iteration 6: trace = 2.401560398915169 (0.0566597% change) linmin: converged after 4 iterations. iteration 7: trace = 2.401273649453677 (0.0119408% change) large trace change predicted (0.0255602%) linmin: converged after 4 iterations. iteration 8: trace = 2.400660459304371 (0.0255393% change) linmin: converged after 3 iterations. iteration 9: trace = 2.400394246180625 (0.0110898% change) linmin: converged after 4 iterations. iteration 10: trace = 2.400303559085161 (0.00377808% change) linmin: converged after 4 iterations. iteration 11: trace = 2.400130188695215 (0.00722311% change) linmin: converged after 3 iterations. iteration 12: trace = 2.400008428418248 (0.0050732% change) linmin: converged after 4 iterations. iteration 13: trace = 2.399912618969685 (0.00399213% change) large trace change predicted (0.0102643%) linmin: converged after 4 iterations. iteration 14: trace = 2.399666162208103 (0.0102699% change) linmin: converged after 4 iterations. iteration 15: trace = 2.399556898464543 (0.00455339% change) linmin: converged after 4 iterations. iteration 16: trace = 2.399371920601187 (0.00770913% change) linmin: converged after 3 iterations. iteration 17: trace = 2.399289107657486 (0.0034515% change) large trace change predicted (0.00782311%) linmin: converged after 4 iterations. iteration 18: trace = 2.399101380466638 (0.00782459% change) linmin: converged after 4 iterations. iteration 19: trace = 2.398879607343093 (0.00924444% change) linmin: converged after 6 iterations. iteration 20: trace = 2.398649900044041 (0.00957607% change) large trace change predicted (0.0239448%) linmin: converged after 4 iterations. iteration 21: trace = 2.398075312221482 (0.0239575% change) linmin: converged after 3 iterations. iteration 22: trace = 2.397887143624137 (0.00784696% change) linmin: converged after 4 iterations. iteration 23: trace = 2.397522325941974 (0.0152153% change) linmin: converged after 5 iterations. iteration 24: trace = 2.397281858636066 (0.0100303% change) linmin: converged after 4 iterations. iteration 25: trace = 2.396981285049889 (0.0125389% change) linmin: converged after 4 iterations. iteration 26: trace = 2.396715640950408 (0.0110831% change) linmin: converged after 4 iterations. iteration 27: trace = 2.396618634307997 (0.00404756% change) large trace change predicted (0.00900769%) linmin: converged after 4 iterations. iteration 28: trace = 2.39640287096897 (0.00900323% change) linmin: converged after 5 iterations. iteration 29: trace = 2.396349203684576 (0.00223952% change) linmin: converged after 4 iterations. iteration 30: trace = 2.396256460549653 (0.00387026% change) linmin: converged after 3 iterations. iteration 31: trace = 2.396207672473087 (0.00203603% change) linmin: converged after 4 iterations. iteration 32: trace = 2.396167671844039 (0.00166934% change) large trace change predicted (0.00396794%) linmin: converged after 4 iterations. iteration 33: trace = 2.396072600306302 (0.00396773% change) linmin: converged after 10 iterations. iteration 34: trace = 2.396038797047905 (0.00141079% change) large trace change predicted (0.00652598%) linmin: converged after 3 iterations. iteration 35: trace = 2.395882486755531 (0.00652391% change) linmin: converged after 4 iterations. iteration 36: trace = 2.39583268550148 (0.00207864% change) large trace change predicted (0.00897502%) linmin: converged after 19 iterations. iteration 37: trace = 2.395617670293436 (0.00897495% change) linmin: converged after 4 iterations. iteration 38: trace = 2.395533925149891 (0.00349583% change) large trace change predicted (0.00705092%) linmin: converged after 4 iterations. iteration 39: trace = 2.395364976008042 (0.00705292% change) linmin: converged after 4 iterations. iteration 40: trace = 2.395255848588221 (0.00455588% change) linmin: converged after 3 iterations. iteration 41: trace = 2.395086682673956 (0.00706279% change) linmin: converged after 3 iterations. iteration 42: trace = 2.395028276850285 (0.0024386% change) large trace change predicted (0.00633155%) linmin: converged after 4 iterations. iteration 43: trace = 2.394876576935001 (0.00633415% change) linmin: converged after 5 iterations. iteration 44: trace = 2.394823829384971 (0.00220254% change) large trace change predicted (0.00784733%) linmin: converged after 4 iterations. iteration 45: trace = 2.394635887865348 (0.00784813% change) linmin: converged after 4 iterations. iteration 46: trace = 2.394551761799004 (0.00351317% change) large trace change predicted (0.0073079%) linmin: converged after 4 iterations. iteration 47: trace = 2.39437664010452 (0.00731361% change) linmin: converged after 3 iterations. iteration 48: trace = 2.394320470662205 (0.00234592% change) large trace change predicted (0.0069281%) linmin: converged after 4 iterations. iteration 49: trace = 2.394154559956638 (0.00692958% change) linmin: converged after 4 iterations. iteration 50: trace = 2.394120839362857 (0.00140847% change) linmin: converged after 4 iterations. iteration 51: trace = 2.394082460171509 (0.00160307% change) linmin: converged after 5 iterations. iteration 52: trace = 2.394061914459259 (0.000858191% change) linmin: converged after 3 iterations. iteration 53: trace = 2.394035856508216 (0.00108845% change) linmin: converged after 4 iterations. iteration 54: trace = 2.394025508527441 (0.000432241% change) large trace change predicted (0.00106382%) linmin: converged after 4 iterations. iteration 55: trace = 2.394000031388523 (0.0010642% change) linmin: converged after 15 iterations. iteration 56: trace = 2.393990078074366 (0.000415762% change) large trace change predicted (0.00147078%) linmin: converged after 7 iterations. iteration 57: trace = 2.393954870434198 (0.00147068% change) linmin: converged after 4 iterations. iteration 58: trace = 2.393941142087391 (0.000573461% change) large trace change predicted (0.00230683%) linmin: converged after 4 iterations. iteration 59: trace = 2.393885915757343 (0.00230695% change) linmin: converged after 5 iterations. iteration 60: trace = 2.393856958966908 (0.00120962% change) large trace change predicted (0.00352012%) linmin: converged after 4 iterations. iteration 61: trace = 2.393772751502206 (0.00351771% change) linmin: converged after 5 iterations. iteration 62: trace = 2.393670096484641 (0.00428851% change) linmin: converged after 4 iterations. iteration 63: trace = 2.393605449449459 (0.00270079% change) linmin: converged after 2 iterations. iteration 64: trace = 2.39348721716155 (0.00493963% change) linmin: converged after 12 iterations. iteration 65: trace = 2.393448255782342 (0.00162782% change) linmin: converged after 3 iterations. iteration 66: trace = 2.393405376638453 (0.00179154% change) linmin: converged after 4 iterations. iteration 67: trace = 2.393387851887911 (0.000732213% change) linmin: converged after 4 iterations. iteration 68: trace = 2.393359848955133 (0.00117002% change) linmin: converged after 4 iterations. iteration 69: trace = 2.39334836002617 (0.000480035% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.393343745289685 (0.000192815% change) linmin: converged after 5 iterations. iteration 71: trace = 2.393336290163514 (0.000311495% change) linmin: converged after 5 iterations. iteration 72: trace = 2.393333528458225 (0.000115392% change) linmin: converged after 5 iterations. iteration 73: trace = 2.393329051569193 (0.000187057% change) large trace change predicted (0.000413346%) linmin: converged after 4 iterations. iteration 74: trace = 2.393319158534369 (0.00041336% change) linmin: converged after 4 iterations. iteration 75: trace = 2.393315853870198 (0.000138079% change) large trace change predicted (0.000436214%) linmin: converged after 2 iterations. iteration 76: trace = 2.39330541376668 (0.00043622% change) linmin: converged after 4 iterations. iteration 77: trace = 2.393296326460743 (0.000379698% change) linmin: converged after 4 iterations. iteration 78: trace = 2.393291292967413 (0.000210317% change) large trace change predicted (0.000432557%) linmin: converged after 4 iterations. iteration 79: trace = 2.393280939562352 (0.000432602% change) linmin: converged after 4 iterations. iteration 80: trace = 2.39327663525763 (0.00017985% change) large trace change predicted (0.000406519%) linmin: converged after 4 iterations. iteration 81: trace = 2.393266901750644 (0.000406703% change) linmin: converged after 4 iterations. iteration 82: trace = 2.393256954513477 (0.000415635% change) large trace change predicted (0.000838335%) linmin: converged after 3 iterations. iteration 83: trace = 2.393236893839753 (0.00083822% change) linmin: converged after 3 iterations. iteration 84: trace = 2.393229151551698 (0.000323507% change) large trace change predicted (0.000990682%) linmin: converged after 4 iterations. iteration 85: trace = 2.393205436576264 (0.000990924% change) linmin: converged after 4 iterations. iteration 86: trace = 2.393198578307199 (0.000286573% change) large trace change predicted (0.000615433%) linmin: converged after 3 iterations. iteration 87: trace = 2.393183852797637 (0.000615309% change) linmin: converged after 4 iterations. iteration 88: trace = 2.393179757428099 (0.000171127% change) linmin: converged after 4 iterations. iteration 89: trace = 2.393172467192238 (0.000304626% change) linmin: converged after 4 iterations. iteration 90: trace = 2.393169671714642 (0.000116811% change) linmin: converged after 3 iterations. iteration 91: trace = 2.393166883827487 (0.000116494% change) linmin: converged after 4 iterations. iteration 92: trace = 2.393163551325879 (0.000139251% change) linmin: converged after 4 iterations. iteration 93: trace = 2.393162792558882 (3.17056e-05% change) large trace change predicted (8.2246e-05%) linmin: converged after 2 iterations. iteration 94: trace = 2.39316082390683 (8.22616e-05% change) linmin: converged after 5 iterations. iteration 95: trace = 2.393159318219231 (6.29163e-05% change) linmin: converged after 4 iterations. iteration 96: trace = 2.393158376036829 (3.93698e-05% change) large trace change predicted (9.19929e-05%) linmin: converged after 3 iterations. iteration 97: trace = 2.393156174692149 (9.1985e-05% change) linmin: converged after 4 iterations. iteration 98: trace = 2.39315509903598 (4.49472e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 2.393153692442706 (5.87757e-05% change) large trace change predicted (0.00011818%) linmin: converged after 4 iterations. iteration 100: trace = 2.393150863866867 (0.000118195% change) linmin: converged after 8 iterations. iteration 101: trace = 2.393149740538012 (4.69393e-05% change) linmin: converged after 3 iterations. iteration 102: trace = 2.393148415427696 (5.5371e-05% change) large trace change predicted (0.000131314%) linmin: converged after 5 iterations. iteration 103: trace = 2.393145273280542 (0.000131298% change) linmin: converged after 2 iterations. iteration 104: trace = 2.393143669401702 (6.70197e-05% change) linmin: converged after 5 iterations. iteration 105: trace = 2.393142533348935 (4.74712e-05% change) large trace change predicted (0.000112145%) linmin: converged after 4 iterations. iteration 106: trace = 2.393139849250136 (0.000112158% change) linmin: converged after 4 iterations. iteration 107: trace = 2.393137817393968 (8.49034e-05% change) linmin: converged after 12 iterations. iteration 108: trace = 2.393136704130331 (4.6519e-05% change) large trace change predicted (0.000101756%) linmin: converged after 3 iterations. iteration 109: trace = 2.393134269347164 (0.00010174% change) linmin: converged after 3 iterations. iteration 110: trace = 2.393131325463725 (0.000123014% change) linmin: converged after 2 iterations. iteration 111: trace = 2.393130135487137 (4.97247e-05% change) linmin: converged after 5 iterations. iteration 112: trace = 2.393128824267314 (5.4791e-05% change) large trace change predicted (0.000127429%) linmin: converged after 2 iterations. iteration 113: trace = 2.393125774190403 (0.000127452% change) linmin: converged after 4 iterations. iteration 114: trace = 2.393123385982424 (9.97946e-05% change) linmin: converged after 4 iterations. iteration 115: trace = 2.393122031517405 (5.65982e-05% change) large trace change predicted (0.000116378%) linmin: converged after 5 iterations. iteration 116: trace = 2.393119246533655 (0.000116375% change) linmin: converged after 3 iterations. iteration 117: trace = 2.39311473425312 (0.000188552% change) linmin: converged after 5 iterations. iteration 118: trace = 2.393112592624688 (8.94913e-05% change) linmin: converged after 4 iterations. iteration 119: trace = 2.393111107995308 (6.20376e-05% change) large trace change predicted (0.000135552%) linmin: converged after 4 iterations. iteration 120: trace = 2.393107863849913 (0.000135562% change) linmin: converged after 4 iterations. iteration 121: trace = 2.39310461183116 (0.000135891% change) linmin: converged after 5 iterations. iteration 122: trace = 2.393103201879602 (5.89173e-05% change) linmin: converged after 4 iterations. iteration 123: trace = 2.393101406094368 (7.50401e-05% change) linmin: converged after 3 iterations. iteration 124: trace = 2.393098182873616 (0.000134688% change) linmin: converged after 5 iterations. iteration 125: trace = 2.393096476832181 (7.12901e-05% change) linmin: converged after 3 iterations. iteration 126: trace = 2.393095499942862 (4.08212e-05% change) large trace change predicted (8.82179e-05%) linmin: converged after 2 iterations. iteration 127: trace = 2.393093388798312 (8.82182e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 2.393091334430655 (8.58457e-05% change) linmin: converged after 5 iterations. iteration 129: trace = 2.393090633976008 (2.92699e-05% change) linmin: converged after 6 iterations. iteration 130: trace = 2.393089820989904 (3.39722e-05% change) linmin: converged after 4 iterations. iteration 131: trace = 2.393088521909926 (5.42846e-05% change) linmin: converged after 3 iterations. iteration 132: trace = 2.393088028506677 (2.06178e-05% change) linmin: converged after 4 iterations. iteration 133: trace = 2.393087763775035 (1.10623e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 2.393087259231091 (2.10834e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 2.393086937049219 (1.3463e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 2.393086725461289 (8.84163e-06% change) large trace change predicted (2.47207e-05%) linmin: converged after 9 iterations. iteration 137: trace = 2.393086133884916 (2.47202e-05% change) linmin: converged after 4 iterations. iteration 138: trace = 2.39308566554791 (1.95704e-05% change) linmin: converged after 3 iterations. iteration 139: trace = 2.393085449601296 (9.02377e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.39308502884997 (1.7582e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 2.393084536958866 (2.05547e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.393083820482782 (2.99394e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.393083526739307 (1.22747e-05% change) large trace change predicted (4.71917e-05%) linmin: converged after 2 iterations. iteration 144: trace = 2.393082397382467 (4.71925e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.39308066676745 (7.23174e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.393079816571708 (3.55273e-05% change) large trace change predicted (0.000101402%) linmin: converged after 2 iterations. iteration 147: trace = 2.393077389834342 (0.000101407% change) linmin: converged after 3 iterations. iteration 148: trace = 2.393076080789317 (5.47013e-05% change) linmin: converged after 2 iterations. iteration 149: trace = 2.393074908838823 (4.89726e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 2.393073055168203 (7.74598e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.393072214325346 (3.51365e-05% change) linmin: converged after 3 iterations. iteration 152: trace = 2.393070903220508 (5.47875e-05% change) linmin: converged after 4 iterations. iteration 153: trace = 2.393070066007435 (3.49849e-05% change) linmin: converged after 3 iterations. iteration 154: trace = 2.393069538738395 (2.20332e-05% change) linmin: converged after 4 iterations. iteration 155: trace = 2.393068663668274 (3.65669e-05% change) linmin: converged after 4 iterations. iteration 156: trace = 2.393068316374694 (1.45125e-05% change) linmin: converged after 2 iterations. iteration 157: trace = 2.393067753825754 (2.35074e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 2.39306703832884 (2.98987e-05% change) linmin: converged after 3 iterations. iteration 159: trace = 2.393066739158407 (1.25015e-05% change) large trace change predicted (3.14955e-05%) linmin: converged after 2 iterations. iteration 160: trace = 2.393065985438088 (3.1496e-05% change) linmin: converged after 2 iterations. iteration 161: trace = 2.393065805975977 (7.49925e-06% change) large trace change predicted (3.2449e-05%) linmin: converged after 3 iterations. iteration 162: trace = 2.393065029487567 (3.24474e-05% change) linmin: converged after 2 iterations. iteration 163: trace = 2.393064669039104 (1.50622e-05% change) linmin: converged after 2 iterations. iteration 164: trace = 2.393064330504958 (1.41465e-05% change) large trace change predicted (4.74953e-05%) linmin: converged after 4 iterations. iteration 165: trace = 2.393063193941383 (4.74941e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.393062780381473 (1.72816e-05% change) large trace change predicted (0.000101911%) linmin: converged after 5 iterations. iteration 167: trace = 2.39306034154255 (0.000101913% change) linmin: converged after 2 iterations. iteration 168: trace = 2.393059051116956 (5.39237e-05% change) linmin: converged after 3 iterations. iteration 169: trace = 2.393057311660742 (7.26876e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.393055656564893 (6.91624e-05% change) linmin: converged after 4 iterations. iteration 171: trace = 2.39305490407619 (3.14447e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.393053649332267 (5.24327e-05% change) linmin: converged after 12 iterations. iteration 173: trace = 2.393053130453571 (2.16827e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 2.393052444950696 (2.86455e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.39305210922459 (1.40292e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 2.393051628308182 (2.00964e-05% change) linmin: converged after 2 iterations. iteration 177: trace = 2.393051361702711 (1.11408e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.393051191533071 (7.11099e-06% change) large trace change predicted (1.64433e-05%) linmin: converged after 2 iterations. iteration 179: trace = 2.393050798027882 (1.64437e-05% change) linmin: converged after 6 iterations. iteration 180: trace = 2.393050730610346 (2.81722e-06% change) large trace change predicted (1.09261e-05%) linmin: converged after 2 iterations. iteration 181: trace = 2.393050469140827 (1.09262e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 2.393050352370547 (4.87956e-06% change) linmin: converged after 30 iterations. iteration 183: trace = 2.393050240136758 (4.68999e-06% change) linmin: converged after 2 iterations. iteration 184: trace = 2.39305012344129 (4.87643e-06% change) linmin: converged after 3 iterations. iteration 185: trace = 2.393050007224261 (4.85644e-06% change) large trace change predicted (3.59006e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.393049148137522 (3.58992e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.393048897864501 (1.04583e-05% change) large trace change predicted (5.16567e-05%) linmin: converged after 10 iterations. iteration 188: trace = 2.393047661810293 (5.16519e-05% change) linmin: converged after 2 iterations. iteration 189: trace = 2.393047288582124 (1.55964e-05% change) large trace change predicted (4.74302e-05%) linmin: converged after 2 iterations. iteration 190: trace = 2.393046153552176 (4.74303e-05% change) linmin: converged after 3 iterations. iteration 191: trace = 2.393045660119894 (2.06194e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.393044848532964 (3.39144e-05% change) linmin: converged after 2 iterations. iteration 193: trace = 2.393044152710887 (2.90769e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.393043747296282 (1.69414e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.393043452226482 (1.23303e-05% change) linmin: converged after 2 iterations. iteration 196: trace = 2.393043367892586 (3.52413e-06% change) linmin: converged after 3 iterations. iteration 197: trace = 2.393043233774954 (5.60448e-06% change) linmin: converged after 3 iterations. iteration 198: trace = 2.393043202141304 (1.3219e-06% change) linmin: converged after 3 iterations. iteration 199: trace = 2.393043140861097 (2.56076e-06% change) linmin: converged after 3 iterations. iteration 200: trace = 2.393043111103555 (1.2435e-06% change) linmin: converged after 2 iterations. iteration 201: trace = 2.393043071055111 (1.67354e-06% change) large trace change predicted (3.98465e-06%) linmin: converged after 2 iterations. iteration 202: trace = 2.39304297570062 (3.98465e-06% change) linmin: converged after 4 iterations. iteration 203: trace = 2.393042910833788 (2.71064e-06% change) large trace change predicted (5.69781e-06%) linmin: converged after 2 iterations. iteration 204: trace = 2.393042774477892 (5.69801e-06% change) linmin: converged after 4 iterations. iteration 205: trace = 2.393042679468776 (3.97022e-06% change) linmin: converged after 2 iterations. iteration 206: trace = 2.393042568613512 (4.6324e-06% change) linmin: converged after 3 iterations. iteration 207: trace = 2.393042508364706 (2.51767e-06% change) large trace change predicted (5.53465e-06%) linmin: converged after 18 iterations. iteration 208: trace = 2.393042375921082 (5.53453e-06% change) linmin: converged after 3 iterations. iteration 209: trace = 2.393042310229137 (2.74512e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.393042263551757 (1.95055e-06% change) linmin: converged after 2 iterations. iteration 211: trace = 2.393042191343329 (3.01743e-06% change) linmin: converged after 3 iterations. iteration 212: trace = 2.393042159208187 (1.34286e-06% change) linmin: converged after 2 iterations. iteration 213: trace = 2.39304209725361 (2.58895e-06% change) linmin: converged after 2 iterations. iteration 214: trace = 2.393042008034098 (3.72829e-06% change) linmin: converged after 3 iterations. iteration 215: trace = 2.393041988174821 (8.29876e-07% change) large trace change predicted (2.7594e-06%) linmin: converged after 2 iterations. iteration 216: trace = 2.393041922139514 (2.75947e-06% change) linmin: converged after 2 iterations. iteration 217: trace = 2.39304191065354 (4.79974e-07% change) large trace change predicted (1.05679e-06%) linmin: converged after 2 iterations. iteration 218: trace = 2.393041885363711 (1.05681e-06% change) linmin: converged after 10 iterations. iteration 219: trace = 2.393041870454308 (6.23031e-07% change) linmin: converged after 2 iterations. iteration 220: trace = 2.393041860270376 (4.25564e-07% change) large trace change predicted (1.07954e-06%) linmin: converged after 2 iterations. iteration 221: trace = 2.393041834436323 (1.07955e-06% change) linmin: converged after 4 iterations. iteration 222: trace = 2.393041824340318 (4.2189e-07% change) large trace change predicted (2.20794e-06%) linmin: converged after 2 iterations. iteration 223: trace = 2.393041771502983 (2.20796e-06% change) linmin: converged after 11 iterations. iteration 224: trace = 2.393041731067234 (1.68972e-06% change) linmin: converged after 5 iterations. iteration 225: trace = 2.393041677725967 (2.22902e-06% change) linmin: converged after 2 iterations. iteration 226: trace = 2.393041595792564 (3.42382e-06% change) linmin: converged after 5 iterations. iteration 227: trace = 2.393041565391169 (1.27041e-06% change) large trace change predicted (2.87587e-06%) linmin: converged after 2 iterations. iteration 228: trace = 2.393041496569008 (2.87593e-06% change) linmin: converged after 2 iterations. iteration 229: trace = 2.393041460433195 (1.51004e-06% change) linmin: converged after 4 iterations. iteration 230: trace = 2.393041391788444 (2.86851e-06% change) linmin: converged after 2 iterations. iteration 231: trace = 2.393041352107085 (1.6582e-06% change) linmin: converged after 25 iterations. iteration 232: trace = 2.393041313737028 (1.6034e-06% change) linmin: converged after 18 iterations. iteration 233: trace = 2.393041296804725 (7.07564e-07% change) linmin: converged after 3 iterations. iteration 234: trace = 2.393041285423392 (4.75601e-07% change) linmin: converged after 2 iterations. iteration 235: trace = 2.393041270302679 (6.31862e-07% change) linmin: converged after 9 iterations. iteration 236: trace = 2.393041264402567 (2.46553e-07% change) large trace change predicted (8.41609e-07%) linmin: converged after 12 iterations. iteration 237: trace = 2.393041244262636 (8.41604e-07% change) linmin: converged after 13 iterations. iteration 238: trace = 2.393041234996021 (3.87232e-07% change) linmin: converged after 2 iterations. iteration 239: trace = 2.39304122302502 (5.00242e-07% change) linmin: converged after 9 iterations. iteration 240: trace = 2.393041213605773 (3.9361e-07% change) linmin: converged after 2 iterations. iteration 241: trace = 2.393041206373835 (3.02207e-07% change) linmin: converged after 2 iterations. iteration 242: trace = 2.393041200244062 (2.5615e-07% change) linmin: converged after 2 iterations. iteration 243: trace = 2.393041188949209 (4.71987e-07% change) linmin: converged after 2 iterations. iteration 244: trace = 2.39304118225587 (2.797e-07% change) large trace change predicted (8.07156e-07%) linmin: converged after 3 iterations. iteration 245: trace = 2.393041162939943 (8.07171e-07% change) linmin: converged after 4 iterations. iteration 246: trace = 2.393041142348072 (8.6049e-07% change) large trace change predicted (1.79366e-06%) linmin: converged after 2 iterations. iteration 247: trace = 2.393041099424753 (1.79367e-06% change) linmin: converged after 2 iterations. iteration 248: trace = 2.393041058235112 (1.72123e-06% change) linmin: converged after 7 iterations. iteration 249: trace = 2.393040993189666 (2.71811e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.393040943073716 (2.09424e-06% change) large trace change predicted (5.70412e-06%) linmin: converged after 3 iterations. iteration 251: trace = 2.393040806572129 (5.70411e-06% change) linmin: converged after 2 iterations. iteration 252: trace = 2.393040766142772 (1.68946e-06% change) large trace change predicted (3.48826e-06%) linmin: converged after 4 iterations. iteration 253: trace = 2.39304068266847 (3.48821e-06% change) linmin: converged after 5 iterations. iteration 254: trace = 2.393040662878805 (8.26967e-07% change) large trace change predicted (1.7113e-06%) linmin: converged after 12 iterations. iteration 255: trace = 2.393040621927048 (1.71129e-06% change) linmin: converged after 19 iterations. iteration 256: trace = 2.39304061301991 (3.7221e-07% change) linmin: converged after 2 iterations. iteration 257: trace = 2.393040595884254 (7.16062e-07% change) linmin: converged after 3 iterations. iteration 258: trace = 2.393040590075302 (2.42744e-07% change) large trace change predicted (5.30346e-07%) linmin: converged after 6 iterations. iteration 259: trace = 2.393040577383956 (5.30344e-07% change) linmin: converged after 12 iterations. iteration 260: trace = 2.393040571405063 (2.49845e-07% change) large trace change predicted (5.10073e-07%) linmin: converged after 13 iterations. iteration 261: trace = 2.393040559198907 (5.10069e-07% change) linmin: converged after 3 iterations. iteration 262: trace = 2.39304054768731 (4.81045e-07% change) linmin: converged after 2 iterations. iteration 263: trace = 2.393040530831366 (7.04373e-07% change) linmin: converged after 3 iterations. iteration 264: trace = 2.393040516593679 (5.94962e-07% change) linmin: converged after 2 iterations. iteration 265: trace = 2.393040506125241 (4.37453e-07% change) large trace change predicted (1.35114e-06%) linmin: converged after 11 iterations. iteration 266: trace = 2.393040473792318 (1.35112e-06% change) linmin: converged after 4 iterations. iteration 267: trace = 2.393040464223768 (3.99849e-07% change) large trace change predicted (1.79378e-06%) linmin: converged after 13 iterations. iteration 268: trace = 2.393040421298389 (1.79376e-06% change) linmin: converged after 23 iterations. iteration 269: trace = 2.393040410675259 (4.43918e-07% change) large trace change predicted (1.67652e-06%) linmin: converged after 28 iterations. iteration 270: trace = 2.393040370556017 (1.6765e-06% change) linmin: converged after 6 iterations. iteration 271: trace = 2.393040347284755 (9.72456e-07% change) linmin: converged after 17 iterations. iteration 272: trace = 2.393040318102536 (1.21946e-06% change) large trace change predicted (2.59327e-06%) linmin: converged after 4 iterations. iteration 273: trace = 2.393040256045588 (2.59323e-06% change) linmin: converged after 2 iterations. iteration 274: trace = 2.393040229145719 (1.12409e-06% change) large trace change predicted (2.33597e-06%) linmin: converged after 4 iterations. iteration 275: trace = 2.393040173245435 (2.33595e-06% change) linmin: converged after 2 iterations. iteration 276: trace = 2.393040137066297 (1.51185e-06% change) linmin: converged after 2 iterations. iteration 277: trace = 2.393040092276517 (1.87167e-06% change) linmin: converged after 9 iterations. iteration 278: trace = 2.393040079006626 (5.5452e-07% change) large trace change predicted (1.17469e-06%) linmin: converged after 3 iterations. iteration 279: trace = 2.393040050895917 (1.17469e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 280: trace = 2.393040043584102 (3.05545e-07% change) linmin: converged after 6 iterations. iteration 281: trace = 2.393040035910132 (3.20679e-07% change) linmin: converged after 2 iterations. iteration 282: trace = 2.39304002554926 (4.32959e-07% change) linmin: converged after 4 iterations. iteration 283: trace = 2.393040020108439 (2.2736e-07% change) large trace change predicted (7.27753e-07%) linmin: converged after 3 iterations. iteration 284: trace = 2.393040002693031 (7.27753e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 2.393039984439687 (7.62768e-07% change) linmin: converged after 2 iterations. iteration 286: trace = 2.393039961230745 (9.69852e-07% change) linmin: converged after 2 iterations. iteration 287: trace = 2.393039933065368 (1.17697e-06% change) linmin: converged after 20 iterations. iteration 288: trace = 2.393039925243141 (3.26874e-07% change) large trace change predicted (7.62461e-07%) linmin: converged after 2 iterations. iteration 289: trace = 2.393039906997088 (7.62463e-07% change) linmin: converged after 3 iterations. iteration 290: trace = 2.393039896953985 (4.1968e-07% change) linmin: converged after 3 iterations. iteration 291: trace = 2.393039885902561 (4.61815e-07% change) linmin: converged after 2 iterations. iteration 292: trace = 2.393039866000343 (8.31671e-07% change) linmin: converged after 2 iterations. iteration 293: trace = 2.393039858238609 (3.24346e-07% change) large trace change predicted (8.20026e-07%) linmin: converged after 4 iterations. iteration 294: trace = 2.393039838615123 (8.20023e-07% change) linmin: converged after 3 iterations. iteration 295: trace = 2.393039834963349 (1.526e-07% change) large trace change predicted (3.34975e-07%) linmin: converged after 2 iterations. iteration 296: trace = 2.393039826947258 (3.34975e-07% change) linmin: converged after 23 iterations. iteration 297: trace = 2.393039821890845 (2.11297e-07% change) linmin: converged after 3 iterations. iteration 298: trace = 2.393039819754568 (8.92704e-08% change) large trace change predicted (1.78855e-07%) linmin: converged after 2 iterations. iteration 299: trace = 2.393039815474498 (1.78855e-07% change) linmin: converged after 6 iterations. iteration 300: trace = 2.393039814588436 (3.70266e-08% change) large trace change predicted (1.68951e-07%) linmin: converged after 3 iterations. iteration 301: trace = 2.393039810545384 (1.6895e-07% change) linmin: converged after 4 iterations. iteration 302: trace = 2.393039808764906 (7.44023e-08% change) large trace change predicted (1.59874e-07%) linmin: converged after 4 iterations. iteration 303: trace = 2.393039804939095 (1.59872e-07% change) linmin: converged after 9 iterations. iteration 304: trace = 2.393039797307099 (3.18925e-07% change) linmin: converged after 16 iterations. iteration 305: trace = 2.393039794197577 (1.2994e-07% change) large trace change predicted (5.82893e-07%) linmin: converged after 18 iterations. iteration 306: trace = 2.393039780248832 (5.82888e-07% change) linmin: converged after 2 iterations. iteration 307: trace = 2.393039764786827 (6.46124e-07% change) linmin: converged after 4 iterations. iteration 308: trace = 2.393039750017864 (6.17163e-07% change) linmin: converged after 10 iterations. iteration 309: trace = 2.393039725756483 (1.01383e-06% change) linmin: converged after 22 iterations. iteration 310: trace = 2.393039718096837 (3.2008e-07% change) linmin: converged after 3 iterations. iteration 311: trace = 2.393039706517889 (4.83859e-07% change) linmin: converged after 2 iterations. iteration 312: trace = 2.393039699042665 (3.12374e-07% change) linmin: converged after 4 iterations. iteration 313: trace = 2.393039696594512 (1.02303e-07% change) large trace change predicted (2.13049e-07%) linmin: converged after 3 iterations. iteration 314: trace = 2.393039691496138 (2.1305e-07% change) linmin: converged after 4 iterations. iteration 315: trace = 2.393039689697536 (7.51597e-08% change) linmin: converged after 2 iterations. iteration 316: trace = 2.393039687681912 (8.42286e-08% change) linmin: converged after 2 iterations. iteration 317: trace = 2.39303968498274 (1.12793e-07% change) linmin: converged after 3 iterations. iteration 318: trace = 2.393039683739993 (5.19317e-08% change) linmin: converged after 4 iterations. iteration 319: trace = 2.393039681923726 (7.58979e-08% change) linmin: converged after 4 iterations. iteration 320: trace = 2.39303967940794 (1.05129e-07% change) linmin: converged after 3 iterations. iteration 321: trace = 2.393039677769733 (6.84572e-08% change) linmin: converged after 2 iterations. iteration 322: trace = 2.393039674736269 (1.26762e-07% change) linmin: converged after 3 iterations. iteration 323: trace = 2.393039673671995 (4.44737e-08% change) linmin: converged after 2 iterations. iteration 324: trace = 2.393039671689107 (8.28606e-08% change) linmin: converged after 2 iterations. iteration 325: trace = 2.393039669297133 (9.99555e-08% change) linmin: converged after 4 iterations. iteration 326: trace = 2.393039666406318 (1.20801e-07% change) large trace change predicted (5.24281e-07%) linmin: converged after 3 iterations. iteration 327: trace = 2.393039653860141 (5.24278e-07% change) linmin: converged after 3 iterations. iteration 328: trace = 2.3930396501451 (1.55244e-07% change) large trace change predicted (5.14658e-07%) linmin: converged after 6 iterations. iteration 329: trace = 2.393039637829149 (5.14657e-07% change) linmin: converged after 3 iterations. iteration 330: trace = 2.393039628784646 (3.7795e-07% change) linmin: converged after 3 iterations. iteration 331: trace = 2.393039624315906 (1.86739e-07% change) linmin: converged after 6 iterations. iteration 332: trace = 2.393039617113109 (3.00989e-07% change) linmin: converged after 3 iterations. iteration 333: trace = 2.393039613074678 (1.68757e-07% change) linmin: converged after 4 iterations. iteration 334: trace = 2.393039608390692 (1.95734e-07% change) linmin: converged after 2 iterations. iteration 335: trace = 2.393039604260139 (1.72607e-07% change) linmin: converged after 4 iterations. iteration 336: trace = 2.393039602837053 (5.94677e-08% change) linmin: converged after 2 iterations. iteration 337: trace = 2.393039600217194 (1.09478e-07% change) linmin: converged after 3 iterations. iteration 338: trace = 2.393039599260687 (3.99704e-08% change) linmin: converged after 6 iterations. iteration 339: trace = 2.393039597648655 (6.73634e-08% change) linmin: converged after 4 iterations. iteration 340: trace = 2.393039594774919 (1.20087e-07% change) linmin: converged after 6 iterations. iteration 341: trace = 2.393039593562678 (5.06569e-08% change) large trace change predicted (1.431e-07%) linmin: converged after 3 iterations. iteration 342: trace = 2.393039590138249 (1.431e-07% change) linmin: converged after 10 iterations. iteration 343: trace = 2.393039588886906 (5.2291e-08% change) large trace change predicted (2.05461e-07%) linmin: converged after 9 iterations. iteration 344: trace = 2.393039583970162 (2.0546e-07% change) linmin: converged after 3 iterations. iteration 345: trace = 2.39303958056545 (1.42276e-07% change) linmin: converged after 12 iterations. iteration 346: trace = 2.393039578776684 (7.47487e-08% change) large trace change predicted (3.7855e-07%) linmin: converged after 6 iterations. iteration 347: trace = 2.393039569717871 (3.78548e-07% change) linmin: converged after 3 iterations. iteration 348: trace = 2.393039561714139 (3.34459e-07% change) large trace change predicted (9.27901e-07%) linmin: converged after 9 iterations. iteration 349: trace = 2.393039539509207 (9.27897e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.393039530334008 (3.83412e-07% change) linmin: converged after 6 iterations. iteration 351: trace = 2.393039524007444 (2.64374e-07% change) linmin: converged after 4 iterations. iteration 352: trace = 2.393039518614078 (2.25377e-07% change) linmin: converged after 2 iterations. iteration 353: trace = 2.393039516682342 (8.07231e-08% change) linmin: converged after 31 iterations. iteration 354: trace = 2.393039515497306 (4.95201e-08% change) linmin: converged after 28 iterations. iteration 355: trace = 2.393039513467057 (8.48397e-08% change) linmin: converged after 3 iterations. iteration 356: trace = 2.393039512971261 (2.07183e-08% change) large trace change predicted (5.51477e-08%) linmin: converged after 26 iterations. iteration 357: trace = 2.393039511651555 (5.51477e-08% change) linmin: converged after 3 iterations. iteration 358: trace = 2.393039510858201 (3.31525e-08% change) linmin: converged after 3 iterations. iteration 359: trace = 2.393039510361972 (2.07364e-08% change) linmin: converged after 2 iterations. iteration 360: trace = 2.393039509532697 (3.46536e-08% change) linmin: converged after 19 iterations. iteration 361: trace = 2.39303950870204 (3.47114e-08% change) linmin: converged after 10 iterations. iteration 362: trace = 2.393039508083983 (2.58273e-08% change) linmin: converged after 2 iterations. iteration 363: trace = 2.393039507035475 (4.38149e-08% change) linmin: converged after 2 iterations. iteration 364: trace = 2.39303950644532 (2.46613e-08% change) large trace change predicted (7.14075e-08%) linmin: converged after 2 iterations. iteration 365: trace = 2.393039504736507 (7.14076e-08% change) linmin: converged after 10 iterations. iteration 366: trace = 2.393039504078556 (2.74944e-08% change) large trace change predicted (6.69719e-08%) linmin: converged after 2 iterations. iteration 367: trace = 2.393039502475891 (6.6972e-08% change) linmin: converged after 30 iterations. iteration 368: trace = 2.393039500282299 (9.16655e-08% change) linmin: converged after 4 iterations. iteration 369: trace = 2.393039498972043 (5.47528e-08% change) large trace change predicted (1.45165e-07%) linmin: converged after 2 iterations. iteration 370: trace = 2.393039495498195 (1.45165e-07% change) linmin: converged after 4 iterations. iteration 371: trace = 2.393039494758401 (3.09144e-08% change) large trace change predicted (1.01346e-07%) linmin: converged after 30 iterations. iteration 372: trace = 2.393039492333147 (1.01346e-07% change) linmin: converged after 4 iterations. iteration 373: trace = 2.393039491329326 (4.19475e-08% change) linmin: converged after 4 iterations. iteration 374: trace = 2.393039490730068 (2.50417e-08% change) linmin: converged after 23 iterations. iteration 375: trace = 2.393039489641627 (4.54837e-08% change) linmin: converged after 17 iterations. iteration 376: trace = 2.393039489380868 (1.08966e-08% change) large trace change predicted (2.79e-08%) linmin: converged after 18 iterations. iteration 377: trace = 2.393039488713208 (2.79001e-08% change) linmin: converged after 12 iterations. iteration 378: trace = 2.393039488473531 (1.00156e-08% change) large trace change predicted (2.1849e-08%) linmin: converged after 21 iterations. iteration 379: trace = 2.393039487950677 (2.1849e-08% change) linmin: converged after 2 iterations. iteration 380: trace = 2.393039487541194 (1.71114e-08% change) linmin: converged after 4 iterations. iteration 381: trace = 2.393039487209535 (1.38593e-08% change) large trace change predicted (2.79317e-08%) linmin: converged after 2 iterations. iteration 382: trace = 2.393039486541117 (2.79318e-08% change) linmin: converged after 4 iterations. iteration 383: trace = 2.393039486304621 (9.88267e-09% change) large trace change predicted (3.49113e-08%) linmin: converged after 3 iterations. iteration 384: trace = 2.39303948546918 (3.49113e-08% change) linmin: converged after 14 iterations. iteration 385: trace = 2.393039485103423 (1.52842e-08% change) linmin: converged after 2 iterations. iteration 386: trace = 2.393039484425752 (2.83184e-08% change) linmin: converged after 3 iterations. iteration 387: trace = 2.393039483733097 (2.89446e-08% change) linmin: converged after 3 iterations. iteration 388: trace = 2.393039483181924 (2.30324e-08% change) large trace change predicted (8.23067e-08%) linmin: converged after 4 iterations. iteration 389: trace = 2.393039481212295 (8.23066e-08% change) linmin: converged after 3 iterations. iteration 390: trace = 2.393039480078674 (4.73716e-08% change) large trace change predicted (1.55825e-07%) linmin: converged after 3 iterations. iteration 391: trace = 2.39303947634973 (1.55825e-07% change) linmin: converged after 4 iterations. iteration 392: trace = 2.393039474223412 (8.88543e-08% change) linmin: converged after 6 iterations. iteration 393: trace = 2.393039472437169 (7.46433e-08% change) linmin: converged after 24 iterations. iteration 394: trace = 2.393039471181656 (5.24652e-08% change) linmin: converged after 10 iterations. iteration 395: trace = 2.393039470786062 (1.6531e-08% change) large trace change predicted (3.57493e-08%) linmin: converged after 25 iterations. iteration 396: trace = 2.393039469930568 (3.57493e-08% change) linmin: converged after 4 iterations. iteration 397: trace = 2.393039469546422 (1.60527e-08% change) linmin: converged after 4 iterations. iteration 398: trace = 2.393039469046133 (2.0906e-08% change) linmin: converged after 19 iterations. iteration 399: trace = 2.393039468798518 (1.03473e-08% change) linmin: converged after 4 iterations. iteration 400: trace = 2.393039468478962 (1.33536e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.393039468069249 (1.7121e-08% change) linmin: converged after 4 iterations. iteration 402: trace = 2.393039467854572 (8.9709e-09% change) large trace change predicted (5.10206e-08%) linmin: converged after 24 iterations. iteration 403: trace = 2.393039466633632 (5.10205e-08% change) linmin: converged after 4 iterations. iteration 404: trace = 2.3930394658094 (3.44429e-08% change) linmin: converged after 17 iterations. iteration 405: trace = 2.393039464623075 (4.9574e-08% change) linmin: converged after 4 iterations. iteration 406: trace = 2.393039462972266 (6.89838e-08% change) linmin: converged after 4 iterations. iteration 407: trace = 2.393039462314115 (2.75027e-08% change) large trace change predicted (6.32846e-08%) linmin: converged after 2 iterations. iteration 408: trace = 2.393039460799692 (6.32845e-08% change) linmin: converged after 2 iterations. iteration 409: trace = 2.393039459906495 (3.73248e-08% change) linmin: converged after 10 iterations. iteration 410: trace = 2.393039459215806 (2.88624e-08% change) linmin: converged after 3 iterations. iteration 411: trace = 2.393039458207819 (4.21216e-08% change) linmin: converged after 17 iterations. iteration 412: trace = 2.393039457948444 (1.08387e-08% change) large trace change predicted (3.21758e-08%) linmin: converged after 3 iterations. iteration 413: trace = 2.393039457178463 (3.21759e-08% change) linmin: converged after 3 iterations. iteration 414: trace = 2.393039456890699 (1.2025e-08% change) linmin: converged after 4 iterations. iteration 415: trace = 2.393039456468653 (1.76364e-08% change) linmin: converged after 2 iterations. iteration 416: trace = 2.393039455915877 (2.30993e-08% change) linmin: converged after 2 iterations. iteration 417: trace = 2.393039455793205 (5.12622e-09% change) large trace change predicted (2.19269e-08%) linmin: converged after 21 iterations. iteration 418: trace = 2.393039455268485 (2.19269e-08% change) linmin: converged after 27 iterations. iteration 419: trace = 2.393039455163028 (4.40686e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.393039455081534 (3.40544e-09% change) large trace change predicted (1.28231e-08%) linmin: converged after 2 iterations. iteration 421: trace = 2.393039454774672 (1.28231e-08% change) linmin: converged after 4 iterations. iteration 422: trace = 2.393039454618046 (6.54506e-09% change) large trace change predicted (1.46806e-08%) linmin: converged after 3 iterations. iteration 423: trace = 2.393039454266736 (1.46805e-08% change) linmin: converged after 4 iterations. iteration 424: trace = 2.393039453848227 (1.74886e-08% change) linmin: converged after 27 iterations. iteration 425: trace = 2.393039453604065 (1.0203e-08% change) large trace change predicted (2.14839e-08%) linmin: converged after 2 iterations. iteration 426: trace = 2.393039453089949 (2.14838e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.393039452823184 (1.11475e-08% change) linmin: converged after 2 iterations. iteration 428: trace = 2.39303945231017 (2.14378e-08% change) linmin: converged after 3 iterations. iteration 429: trace = 2.393039451925552 (1.60724e-08% change) linmin: converged after 23 iterations. iteration 430: trace = 2.393039451541071 (1.60666e-08% change) linmin: converged after 3 iterations. iteration 431: trace = 2.39303945081216 (3.04596e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.393039450415854 (1.65608e-08% change) linmin: converged after 2 iterations. iteration 433: trace = 2.393039449685276 (3.05293e-08% change) linmin: converged after 3 iterations. iteration 434: trace = 2.39303944944451 (1.00611e-08% change) large trace change predicted (2.67535e-08%) linmin: converged after 4 iterations. iteration 435: trace = 2.393039448804291 (2.67534e-08% change) linmin: converged after 2 iterations. iteration 436: trace = 2.393039448613129 (7.98826e-09% change) large trace change predicted (2.03646e-08%) linmin: converged after 2 iterations. iteration 437: trace = 2.393039448125796 (2.03646e-08% change) linmin: converged after 3 iterations. iteration 438: trace = 2.393039448053937 (3.00285e-09% change) large trace change predicted (9.93031e-09%) linmin: converged after 2 iterations. iteration 439: trace = 2.393039447816299 (9.93036e-09% change) linmin: converged after 3 iterations. iteration 440: trace = 2.393039447748134 (2.84845e-09% change) linmin: converged after 3 iterations. iteration 441: trace = 2.393039447623873 (5.19264e-09% change) linmin: converged after 3 iterations. iteration 442: trace = 2.393039447561049 (2.62526e-09% change) large trace change predicted (6.60229e-09%) linmin: converged after 2 iterations. iteration 443: trace = 2.393039447403053 (6.60231e-09% change) linmin: converged after 2 iterations. iteration 444: trace = 2.39303944732493 (3.26461e-09% change) large trace change predicted (1.01264e-08%) linmin: converged after 10 iterations. iteration 445: trace = 2.393039447082602 (1.01264e-08% change) linmin: converged after 3 iterations. iteration 446: trace = 2.393039446943546 (5.81083e-09% change) large trace change predicted (1.73585e-08%) linmin: converged after 3 iterations. iteration 447: trace = 2.393039446528151 (1.73585e-08% change) linmin: converged after 8 iterations. iteration 448: trace = 2.393039446015525 (2.14215e-08% change) linmin: converged after 2 iterations. iteration 449: trace = 2.393039445571531 (1.85536e-08% change) linmin: converged after 4 iterations. iteration 450: trace = 2.393039444758272 (3.39843e-08% change) linmin: converged after 29 iterations. iteration 451: trace = 2.393039444416251 (1.42923e-08% change) linmin: converged after 3 iterations. iteration 452: trace = 2.393039443980618 (1.82042e-08% change) linmin: converged after 4 iterations. iteration 453: trace = 2.393039443780794 (8.35021e-09% change) linmin: converged after 2 iterations. iteration 454: trace = 2.393039443549136 (9.6805e-09% change) linmin: converged after 25 iterations. iteration 455: trace = 2.393039443436664 (4.69994e-09% change) linmin: converged after 4 iterations. iteration 456: trace = 2.393039443270879 (6.92783e-09% change) linmin: converged after 6 iterations. iteration 457: trace = 2.393039443188931 (3.4244e-09% change) linmin: converged after 3 iterations. iteration 458: trace = 2.393039443044277 (6.0448e-09% change) linmin: converged after 3 iterations. iteration 459: trace = 2.39303944298991 (2.27189e-09% change) large trace change predicted (8.28366e-09%) linmin: converged after 2 iterations. iteration 460: trace = 2.393039442791682 (8.28349e-09% change) linmin: converged after 14 iterations. iteration 461: trace = 2.393039442749653 (1.7563e-09% change) large trace change predicted (5.97115e-09%) linmin: converged after 3 iterations. iteration 462: trace = 2.393039442606761 (5.97117e-09% change) linmin: converged after 25 iterations. iteration 463: trace = 2.39303944256638 (1.68742e-09% change) large trace change predicted (4.09607e-09%) linmin: converged after 2 iterations. iteration 464: trace = 2.393039442468357 (4.09619e-09% change) linmin: converged after 8 iterations. iteration 465: trace = 2.393039442419999 (2.02077e-09% change) linmin: converged after 15 iterations. iteration 466: trace = 2.393039442347808 (3.01671e-09% change) linmin: converged after 4 iterations. iteration 467: trace = 2.393039442273152 (3.11971e-09% change) linmin: converged after 20 iterations. iteration 468: trace = 2.393039442142555 (5.45738e-09% change) linmin: converged after 3 iterations. iteration 469: trace = 2.393039442076984 (2.74006e-09% change) large trace change predicted (1.16409e-08%) linmin: converged after 2 iterations. iteration 470: trace = 2.393039441798411 (1.1641e-08% change) linmin: converged after 16 iterations. iteration 471: trace = 2.393039441675736 (5.1263e-09% change) large trace change predicted (1.43582e-08%) linmin: converged after 8 iterations. iteration 472: trace = 2.39303944133214 (1.43582e-08% change) linmin: converged after 4 iterations. iteration 473: trace = 2.393039441097609 (9.80053e-09% change) linmin: converged after 3 iterations. iteration 474: trace = 2.393039440722298 (1.56835e-08% change) linmin: converged after 4 iterations. iteration 475: trace = 2.393039440436632 (1.19374e-08% change) linmin: converged after 3 iterations. iteration 476: trace = 2.393039440165509 (1.13296e-08% change) linmin: converged after 19 iterations. iteration 477: trace = 2.393039439929586 (9.85873e-09% change) linmin: converged after 20 iterations. iteration 478: trace = 2.393039439818141 (4.65701e-09% change) large trace change predicted (9.52447e-09%) linmin: converged after 3 iterations. iteration 479: trace = 2.393039439590219 (9.52438e-09% change) linmin: converged after 6 iterations. iteration 480: trace = 2.393039439529571 (2.53435e-09% change) linmin: converged after 4 iterations. iteration 481: trace = 2.393039439425098 (4.36574e-09% change) linmin: converged after 4 iterations. iteration 482: trace = 2.393039439369573 (2.32027e-09% change) linmin: converged after 6 iterations. iteration 483: trace = 2.393039439287506 (3.4294e-09% change) linmin: converged after 3 iterations. iteration 484: trace = 2.393039439238953 (2.02893e-09% change) linmin: converged after 3 iterations. iteration 485: trace = 2.393039439143538 (3.98716e-09% change) linmin: converged after 5 iterations. iteration 486: trace = 2.393039439105284 (1.59855e-09% change) large trace change predicted (4.7465e-09%) linmin: converged after 3 iterations. iteration 487: trace = 2.393039438991697 (4.74657e-09% change) linmin: converged after 3 iterations. iteration 488: trace = 2.393039438928778 (2.62927e-09% change) linmin: converged after 3 iterations. iteration 489: trace = 2.393039438831347 (4.07143e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.393039438770665 (2.53574e-09% change) linmin: converged after 2 iterations. iteration 491: trace = 2.393039438727107 (1.82022e-09% change) linmin: converged after 12 iterations. iteration 492: trace = 2.393039438645211 (3.42227e-09% change) linmin: converged after 4 iterations. iteration 493: trace = 2.393039438608041 (1.55325e-09% change) large trace change predicted (4.01501e-09%) linmin: converged after 2 iterations. iteration 494: trace = 2.39303943851196 (4.015e-09% change) linmin: converged after 4 iterations. iteration 495: trace = 2.393039438391947 (5.0151e-09% change) linmin: converged after 8 iterations. iteration 496: trace = 2.393039438354112 (1.58105e-09% change) large trace change predicted (5.35413e-09%) linmin: converged after 3 iterations. iteration 497: trace = 2.393039438225987 (5.35409e-09% change) linmin: converged after 15 iterations. iteration 498: trace = 2.393039438141694 (3.52239e-09% change) linmin: converged after 13 iterations. iteration 499: trace = 2.393039438094008 (1.99271e-09% change) large trace change predicted (4.68971e-09%) linmin: converged after 4 iterations. iteration 500: trace = 2.393039437981779 (4.68981e-09% change) linmin: converged after 19 iterations. iteration 501: trace = 2.393039437940803 (1.7123e-09% change) large trace change predicted (8.68295e-09%) linmin: converged after 4 iterations. iteration 502: trace = 2.393039437733017 (8.68294e-09% change) linmin: converged after 18 iterations. iteration 503: trace = 2.393039437666702 (2.77116e-09% change) large trace change predicted (1.17784e-08%) linmin: converged after 4 iterations. iteration 504: trace = 2.393039437384841 (1.17784e-08% change) linmin: converged after 4 iterations. iteration 505: trace = 2.393039437295321 (3.74083e-09% change) large trace change predicted (1.00383e-08%) linmin: converged after 2 iterations. iteration 506: trace = 2.3930394370551 (1.00383e-08% change) linmin: converged after 21 iterations. iteration 507: trace = 2.393039436967758 (3.6498e-09% change) linmin: converged after 4 iterations. iteration 508: trace = 2.393039436834583 (5.56511e-09% change) linmin: converged after 3 iterations. iteration 509: trace = 2.393039436771053 (2.6548e-09% change) linmin: converged after 12 iterations. iteration 510: trace = 2.393039436692701 (3.27416e-09% change) linmin: converged after 3 iterations. iteration 511: trace = 2.393039436663756 (1.20954e-09% change) linmin: converged after 6 iterations. iteration 512: trace = 2.393039436628705 (1.46471e-09% change) linmin: converged after 4 iterations. iteration 513: trace = 2.393039436596319 (1.35331e-09% change) linmin: converged after 8 iterations. iteration 514: trace = 2.393039436574894 (8.95308e-10% change) large trace change predicted (2.31083e-09%) linmin: converged after 8 iterations. iteration 515: trace = 2.393039436519594 (2.31088e-09% change) linmin: converged after 3 iterations. iteration 516: trace = 2.39303943649859 (8.77734e-10% change) large trace change predicted (3.82906e-09%) linmin: converged after 3 iterations. iteration 517: trace = 2.39303943640696 (3.82901e-09% change) linmin: converged after 2 iterations. iteration 518: trace = 2.39303943636861 (1.60255e-09% change) linmin: converged after 11 iterations. iteration 519: trace = 2.393039436322549 (1.92481e-09% change) linmin: converged after 2 iterations. iteration 520: trace = 2.393039436271038 (2.15251e-09% change) linmin: converged after 3 iterations. iteration 521: trace = 2.393039436244692 (1.10094e-09% change) large trace change predicted (3.17061e-09%) linmin: converged after 3 iterations. iteration 522: trace = 2.393039436168818 (3.17061e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.393039436097631 (2.97477e-09% change) linmin: converged after 4 iterations. iteration 524: trace = 2.393039435995211 (4.27989e-09% change) linmin: converged after 4 iterations. iteration 525: trace = 2.393039435818145 (7.39921e-09% change) linmin: converged after 3 iterations. iteration 526: trace = 2.393039435723086 (3.97233e-09% change) linmin: converged after 19 iterations. iteration 527: trace = 2.393039435536705 (7.78847e-09% change) linmin: converged after 6 iterations. iteration 528: trace = 2.393039435449276 (3.65346e-09% change) linmin: converged after 6 iterations. iteration 529: trace = 2.393039435338912 (4.61188e-09% change) linmin: converged after 2 iterations. iteration 530: trace = 2.393039435244189 (3.95829e-09% change) linmin: converged after 4 iterations. iteration 531: trace = 2.393039435199449 (1.86956e-09% change) linmin: converged after 2 iterations. iteration 532: trace = 2.393039435130634 (2.87564e-09% change) linmin: converged after 14 iterations. iteration 533: trace = 2.393039435113299 (7.24394e-10% change) linmin: converged after 3 iterations. iteration 534: trace = 2.393039435083929 (1.22732e-09% change) linmin: converged after 3 iterations. iteration 535: trace = 2.393039435061976 (9.17355e-10% change) linmin: converged after 3 iterations. iteration 536: trace = 2.393039435043413 (7.75705e-10% change) large trace change predicted (2.37715e-09%) linmin: converged after 3 iterations. iteration 537: trace = 2.393039434986528 (2.37709e-09% change) linmin: converged after 5 iterations. iteration 538: trace = 2.393039434959441 (1.13194e-09% change) large trace change predicted (4.77728e-09%) linmin: converged after 4 iterations. iteration 539: trace = 2.393039434845119 (4.77725e-09% change) linmin: converged after 3 iterations. iteration 540: trace = 2.393039434792144 (2.21371e-09% change) large trace change predicted (4.44573e-09%) linmin: converged after 4 iterations. iteration 541: trace = 2.393039434685755 (4.44579e-09% change) linmin: converged after 4 iterations. iteration 542: trace = 2.393039434547814 (5.76427e-09% change) linmin: converged after 27 iterations. iteration 543: trace = 2.393039434463725 (3.51387e-09% change) linmin: converged after 2 iterations. iteration 544: trace = 2.393039434327819 (5.67926e-09% change) linmin: converged after 2 iterations. iteration 545: trace = 2.393039434297494 (1.26718e-09% change) large trace change predicted (4.76578e-09%) linmin: converged after 2 iterations. iteration 546: trace = 2.393039434183446 (4.76584e-09% change) linmin: converged after 4 iterations. iteration 547: trace = 2.393039434155507 (1.16753e-09% change) linmin: converged after 3 iterations. iteration 548: trace = 2.393039434110598 (1.87663e-09% change) linmin: converged after 3 iterations. iteration 549: trace = 2.39303943405266 (2.42111e-09% change) linmin: converged after 7 iterations. iteration 550: trace = 2.393039434021908 (1.28505e-09% change) large trace change predicted (2.72009e-09%) linmin: converged after 3 iterations. iteration 551: trace = 2.393039433956814 (2.72016e-09% change) linmin: converged after 13 iterations. iteration 552: trace = 2.39303943394262 (5.93117e-10% change) large trace change predicted (1.4614e-09%) linmin: converged after 6 iterations. iteration 553: trace = 2.39303943390765 (1.46133e-09% change) linmin: converged after 4 iterations. iteration 554: trace = 2.393039433887136 (8.57228e-10% change) linmin: converged after 4 iterations. iteration 555: trace = 2.393039433871071 (6.71338e-10% change) large trace change predicted (2.49889e-09%) linmin: converged after 15 iterations. iteration 556: trace = 2.393039433811273 (2.49881e-09% change) linmin: converged after 5 iterations. iteration 557: trace = 2.39303943377127 (1.67163e-09% change) large trace change predicted (3.87363e-09%) linmin: converged after 3 iterations. iteration 558: trace = 2.393039433678571 (3.87372e-09% change) linmin: converged after 12 iterations. iteration 559: trace = 2.393039433633079 (1.90102e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.393039433591982 (1.71733e-09% change) linmin: converged after 4 iterations. iteration 561: trace = 2.393039433535898 (2.34363e-09% change) linmin: converged after 10 iterations. iteration 562: trace = 2.393039433476222 (2.49374e-09% change) linmin: converged after 3 iterations. iteration 563: trace = 2.393039433456065 (8.42308e-10% change) linmin: converged after 4 iterations. iteration 564: trace = 2.393039433422571 (1.39967e-09% change) linmin: converged after 2 iterations. iteration 565: trace = 2.393039433403372 (8.02261e-10% change) linmin: converged after 20 iterations. iteration 566: trace = 2.393039433378293 (1.048e-09% change) linmin: converged after 4 iterations. iteration 567: trace = 2.393039433347348 (1.29313e-09% change) linmin: converged after 3 iterations. iteration 568: trace = 2.39303943333379 (5.66562e-10% change) large trace change predicted (1.65308e-09%) linmin: converged after 3 iterations. iteration 569: trace = 2.393039433294231 (1.65311e-09% change) linmin: converged after 2 iterations. iteration 570: trace = 2.393039433267218 (1.1288e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.393039433251191 (6.69723e-10% change) large trace change predicted (2.59613e-09%) linmin: converged after 6 iterations. iteration 572: trace = 2.393039433189065 (2.59613e-09% change) linmin: converged after 10 iterations. iteration 573: trace = 2.393039433169208 (8.29763e-10% change) large trace change predicted (3.32246e-09%) linmin: converged after 11 iterations. iteration 574: trace = 2.3930394330897 (3.32247e-09% change) linmin: converged after 11 iterations. iteration 575: trace = 2.393039433039307 (2.10582e-09% change) linmin: converged after 3 iterations. iteration 576: trace = 2.393039433008009 (1.30788e-09% change) linmin: converged after 3 iterations. iteration 577: trace = 2.393039432966736 (1.72474e-09% change) linmin: converged after 2 iterations. iteration 578: trace = 2.393039432937859 (1.2067e-09% change) large trace change predicted (2.95829e-09%) linmin: converged after 2 iterations. iteration 579: trace = 2.393039432867064 (2.95837e-09% change) linmin: converged after 3 iterations. iteration 580: trace = 2.393039432836827 (1.26355e-09% change) linmin: converged after 2 iterations. iteration 581: trace = 2.393039432817371 (8.13006e-10% change) linmin: converged after 6 iterations. iteration 582: trace = 2.393039432800204 (7.1736e-10% change) linmin: converged after 13 iterations. iteration 583: trace = 2.393039432793716 (2.71126e-10% change) large trace change predicted (5.44685e-10%) linmin: converged after 2 iterations. iteration 584: trace = 2.393039432780685 (5.44571e-10% change) linmin: converged after 9 iterations. iteration 585: trace = 2.393039432773195 (3.12973e-10% change) linmin: converged after 3 iterations. iteration 586: trace = 2.393039432762138 (4.62064e-10% change) linmin: converged after 2 iterations. iteration 587: trace = 2.393039432742628 (8.15251e-10% change) linmin: converged after 2 iterations. iteration 588: trace = 2.393039432734777 (3.28097e-10% change) large trace change predicted (1.41391e-09%) linmin: converged after 6 iterations. iteration 589: trace = 2.393039432700941 (1.41392e-09% change) linmin: converged after 4 iterations. iteration 590: trace = 2.393039432674914 (1.08764e-09% change) linmin: converged after 4 iterations. iteration 591: trace = 2.39303943265161 (9.73788e-10% change) linmin: converged after 4 iterations. iteration 592: trace = 2.393039432614045 (1.5698e-09% change) linmin: converged after 4 iterations. iteration 593: trace = 2.393039432599276 (6.17131e-10% change) large trace change predicted (1.75499e-09%) linmin: converged after 9 iterations. iteration 594: trace = 2.393039432557276 (1.75512e-09% change) linmin: converged after 6 iterations. iteration 595: trace = 2.393039432545948 (4.73366e-10% change) large trace change predicted (1.15899e-09%) linmin: converged after 5 iterations. iteration 596: trace = 2.39303943251821 (1.15912e-09% change) linmin: converged after 2 iterations. iteration 597: trace = 2.393039432491335 (1.12303e-09% change) linmin: converged after 4 iterations. iteration 598: trace = 2.393039432480397 (4.57091e-10% change) large trace change predicted (1.52391e-09%) linmin: converged after 3 iterations. iteration 599: trace = 2.393039432443929 (1.52389e-09% change) linmin: converged after 13 iterations. iteration 600: trace = 2.393039432430085 (5.7855e-10% change) linmin: converged after 4 iterations. iteration 601: trace = 2.393039432414344 (6.57753e-10% change) linmin: converged after 3 iterations. iteration 602: trace = 2.393039432405177 (3.83065e-10% change) linmin: converged after 7 iterations. iteration 603: trace = 2.393039432401144 (1.6854e-10% change) linmin: converged after 10 iterations. iteration 604: trace = 2.393039432394298 (2.86083e-10% change) linmin: converged after 11 iterations. iteration 605: trace = 2.393039432388366 (2.47892e-10% change) linmin: converged after 2 iterations. iteration 606: trace = 2.393039432383648 (1.97155e-10% change) large trace change predicted (4.78428e-10%) linmin: converged after 6 iterations. iteration 607: trace = 2.393039432372197 (4.78525e-10% change) linmin: converged after 3 iterations. iteration 608: trace = 2.39303943236669 (2.30095e-10% change) large trace change predicted (5.68749e-10%) linmin: converged after 9 iterations. iteration 609: trace = 2.393039432353077 (5.68881e-10% change) large trace change predicted (1.18412e-09%) linmin: converged after 3 iterations. iteration 610: trace = 2.393039432324741 (1.18408e-09% change) linmin: converged after 4 iterations. iteration 611: trace = 2.393039432312935 (4.93371e-10% change) large trace change predicted (1.76798e-09%) linmin: converged after 4 iterations. iteration 612: trace = 2.393039432270628 (1.76792e-09% change) linmin: converged after 5 iterations. iteration 613: trace = 2.393039432244956 (1.07276e-09% change) linmin: converged after 2 iterations. iteration 614: trace = 2.393039432203985 (1.7121e-09% change) linmin: converged after 3 iterations. iteration 615: trace = 2.39303943218117 (9.53375e-10% change) linmin: converged after 3 iterations. iteration 616: trace = 2.393039432169938 (4.69376e-10% change) linmin: converged after 3 iterations. iteration 617: trace = 2.393039432158995 (4.57276e-10% change) linmin: converged after 10 iterations. iteration 618: trace = 2.393039432154797 (1.75443e-10% change) linmin: converged after 5 iterations. iteration 619: trace = 2.393039432148036 (2.8252e-10% change) linmin: converged after 4 iterations. iteration 620: trace = 2.393039432136146 (4.96841e-10% change) linmin: converged after 4 iterations. iteration 621: trace = 2.39303943213301 (1.31053e-10% change) large trace change predicted (5.35513e-10%) linmin: converged after 3 iterations. iteration 622: trace = 2.393039432120193 (5.35589e-10% change) linmin: converged after 4 iterations. iteration 623: trace = 2.393039432113679 (2.72239e-10% change) linmin: converged after 8 iterations. iteration 624: trace = 2.393039432106066 (3.18095e-10% change) linmin: converged after 5 iterations. iteration 625: trace = 2.393039432098135 (3.31456e-10% change) linmin: converged after 11 iterations. iteration 626: trace = 2.393039432094206 (1.6416e-10% change) large trace change predicted (1.14851e-09%) linmin: converged after 2 iterations. iteration 627: trace = 2.393039432066721 (1.14856e-09% change) linmin: converged after 4 iterations. iteration 628: trace = 2.393039432054615 (5.0586e-10% change) large trace change predicted (1.49987e-09%) linmin: converged after 2 iterations. iteration 629: trace = 2.393039432018724 (1.49982e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.393039431999159 (8.17552e-10% change) linmin: converged after 4 iterations. iteration 631: trace = 2.393039431990648 (3.55692e-10% change) large trace change predicted (9.79319e-10%) linmin: converged after 4 iterations. iteration 632: trace = 2.393039431967213 (9.79281e-10% change) linmin: converged after 4 iterations. iteration 633: trace = 2.393039431960509 (2.80126e-10% change) linmin: converged after 3 iterations. iteration 634: trace = 2.393039431950895 (4.01752e-10% change) linmin: converged after 3 iterations. iteration 635: trace = 2.393039431943192 (3.21918e-10% change) linmin: converged after 3 iterations. iteration 636: trace = 2.393039431940059 (1.30923e-10% change) large trace change predicted (2.92515e-10%) linmin: converged after 3 iterations. iteration 637: trace = 2.39303943193306 (2.92448e-10% change) linmin: converged after 6 iterations. iteration 638: trace = 2.393039431927997 (2.11574e-10% change) linmin: converged after 6 iterations. iteration 639: trace = 2.39303943192271 (2.20927e-10% change) linmin: converged after 4 iterations. iteration 640: trace = 2.393039431914639 (3.37283e-10% change) linmin: converged after 4 iterations. iteration 641: trace = 2.393039431913088 (6.48029e-11% change) Finished solving for bands 2 to 10 after 641 iterations. tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 .elapsed time for k point: 4.619410514831543 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2156485263339956 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.2658849785678317 at Vector3<0.0, 0.0, 0.0> to 0.3546302405484167 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.35621423559129134 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517839886 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.36899013666801306 at Vector3<0.0, 0.0, 0.0> to 0.48074846784433395 at Vector3<0.5, 0.5, 0.0> Band 5 range: 0.4779014824358745 at Vector3<0.5, 0.0, 0.0> to 0.5073352894296067 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.5065518587497806 at Vector3<0.0, 0.0, 0.0> to 0.5125343692392687 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.5090758744004433 at Vector3<0.5, 0.0, 0.0> to 0.6079200818300042 at Vector3<0.5, 0.5, 0.0> Band 8 range: 0.6150518764785363 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.63568078470799 at Vector3<0.0, 0.0, 0.0> Band 9 range: 0.6397097609337264 at Vector3<0.5, 0.0, 0.0> to 0.6489078359746278 at Vector3<0.5, 0.5, 0.0> Band 10 range: 0.6468898907439936 at Vector3<0.5, 0.0, 0.0> to 0.6600163340857906 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2156485263339956) to band 2 (0.2658849785678317), 20.86519493345664% Gap from band 2 (0.3546302405484167) to band 3 (0.35621423559129134), 0.4456657105859925% Gap from band 3 (0.36527833517839886) to band 4 (0.36899013666801306), 1.0110202553789074% Gap from band 7 (0.6079200818300042) to band 8 (0.6150518764785363), 1.1663055068565722% Gap from band 8 (0.63568078470799) to band 9 (0.6397097609337264), 0.6318027430114279% total elapsed time for run: 84.8075647354126 done /tmp/meepREy4kN/test_hermitian_eps-0: 84.81s /tmp/meepREy4kN/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 64. Solving for 9 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 4) Cell volume = 3.4641 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 0.25) Geometric objects: block, center = (0,0,1) size (1e+20,1e+20,2) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,1e+20,0.5) axes (1,0,0), (0,1,0), (0,0,1) cylinder, center = (0,0,0) radius 0.3, height 4, axis (0, 0, 1) Geometric object tree has depth 3 and 41 object nodes (vs. 3 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> elapsed time for initialization: 0.10626411437988281 solve_kpoint (-0.333333,0.333333,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9 Solving for bands 1 to 9... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 20.14068801126488 (196.16% change) linmin: converged after 13 iterations. iteration 2: trace = 3.299137341812085 (143.7% change) linmin: converged after 5 iterations. iteration 3: trace = 2.669410204363155 (21.1015% change) linmin: converged after 6 iterations. iteration 4: trace = 2.40241249385957 (10.5287% change) linmin: converged after 5 iterations. iteration 5: trace = 2.282088343951399 (5.13712% change) linmin: converged after 5 iterations. iteration 6: trace = 2.228076475135598 (2.39512% change) linmin: converged after 7 iterations. iteration 7: trace = 2.207088432445513 (0.946438% change) linmin: converged after 4 iterations. iteration 8: trace = 2.197424295920371 (0.438829% change) linmin: converged after 4 iterations. iteration 9: trace = 2.193156579988943 (0.194403% change) linmin: converged after 5 iterations. iteration 10: trace = 2.19061263941641 (0.116062% change) linmin: converged after 5 iterations. iteration 11: trace = 2.189324950475648 (0.0587994% change) linmin: converged after 4 iterations. iteration 12: trace = 2.188582973206251 (0.0338964% change) linmin: converged after 4 iterations. iteration 13: trace = 2.188220751661914 (0.0165519% change) linmin: converged after 4 iterations. iteration 14: trace = 2.188067093603424 (0.0070223% change) linmin: converged after 4 iterations. iteration 15: trace = 2.188000083848798 (0.00306256% change) linmin: converged after 4 iterations. iteration 16: trace = 2.187974779563759 (0.00115651% change) linmin: converged after 4 iterations. iteration 17: trace = 2.187966030722257 (0.000399861% change) linmin: converged after 4 iterations. iteration 18: trace = 2.187961616111335 (0.000201768% change) linmin: converged after 5 iterations. iteration 19: trace = 2.187959777341824 (8.40403e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 2.187958886064244 (4.07356e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 2.187958549134365 (1.53993e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 2.187958302488668 (1.12729e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 2.187958133390967 (7.72856e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 2.187958074545629 (2.68951e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 2.187958069786985 (2.17492e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 2.187958069734506 (2.39855e-09% change) linmin: converged after 7 iterations. iteration 27: trace = 2.187958069720248 (6.51655e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 2.187958069713324 (3.1647e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 2.18795806970928 (1.84804e-10% change) linmin: converged after 14 iterations. iteration 30: trace = 2.187958069706368 (1.33087e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 2.187958069704355 (9.20265e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 elapsed time for k point: 16.462647914886475 total elapsed time for run: 16.569007396697998 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 FOutputting fields to /tmp/meepREy4kN/test_hole_slab-0-h.k01.b09.z.zeven.h5... eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0 mean flops per iteration = 232048195.5483871 mean time per iteration = 0.5344841095709032 s /tmp/meepREy4kN/test_hole_slab-0: 16.60s /tmp/meepREy4kN/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015687942504882812 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 14.08603322828974 (195.946% change) linmin: converged after 8 iterations. iteration 2: trace = 4.946841082550758 (96.0359% change) linmin: converged after 6 iterations. iteration 3: trace = 4.482417469982445 (9.85069% change) linmin: converged after 5 iterations. iteration 4: trace = 4.426179454909694 (1.26256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.404732774789124 (0.485718% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393592673653451 (0.253232% change) linmin: converged after 5 iterations. iteration 7: trace = 4.388048069558351 (0.126277% change) linmin: converged after 5 iterations. iteration 8: trace = 4.386014285277234 (0.046359% change) linmin: converged after 4 iterations. iteration 9: trace = 4.385327350069832 (0.0156632% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385030799696019 (0.00676256% change) linmin: converged after 9 iterations. iteration 11: trace = 4.384928986166413 (0.00232187% change) linmin: converged after 3 iterations. iteration 12: trace = 4.384903198779061 (0.000588093% change) linmin: converged after 5 iterations. iteration 13: trace = 4.384897579818996 (0.000128143% change) linmin: converged after 3 iterations. iteration 14: trace = 4.384896578810423 (2.28286e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.384896296355217 (6.44155e-06% change) linmin: converged after 17 iterations. iteration 16: trace = 4.384896163448913 (3.031e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.384896108996883 (1.24181e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.384896055181308 (1.22729e-06% change) linmin: converged after 9 iterations. iteration 19: trace = 4.384895970966356 (1.92057e-06% change) linmin: converged after 7 iterations. iteration 20: trace = 4.384895907261345 (1.45283e-06% change) large trace change predicted (4.57064e-06%) linmin: converged after 6 iterations. iteration 21: trace = 4.3848957068431 (4.57065e-06% change) large trace change predicted (5.41039e-05%) linmin: converged after 4 iterations. iteration 22: trace = 4.384893338182164 (5.40187e-05% change) large trace change predicted (0.000283054%) linmin: converged after 9 iterations. iteration 23: trace = 4.384881228353985 (0.000276172% change) linmin: converged after 9 iterations. iteration 24: trace = 4.384874398294823 (0.000155764% change) linmin: converged after 6 iterations. iteration 25: trace = 4.384872500513711 (4.32802e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.384871395471816 (2.52012e-05% change) linmin: converged after 9 iterations. iteration 27: trace = 4.384870693946444 (1.59988e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.384870461991072 (5.2899e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 4.384870388776773 (1.6697e-06% change) linmin: converged after 8 iterations. iteration 30: trace = 4.384870368925833 (4.52714e-07% change) linmin: converged after 10 iterations. iteration 31: trace = 4.384870362403318 (1.4875e-07% change) linmin: converged after 6 iterations. iteration 32: trace = 4.384870359727655 (6.10204e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 4.384870359219449 (1.159e-08% change) linmin: converged after 18 iterations. iteration 34: trace = 4.384870359145734 (1.68113e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 4.384870359129951 (3.59941e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 4.384870359120915 (2.0608e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 4.38487035911561 (1.20966e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 4.384870359114471 (2.59878e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.10254549980163574 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.398721940930018 (0.785796% change) linmin: converged after 4 iterations. iteration 2: trace = 4.393117316903974 (0.127496% change) linmin: converged after 5 iterations. iteration 3: trace = 4.389343308629444 (0.0859442% change) linmin: converged after 3 iterations. iteration 4: trace = 4.386788236161571 (0.0582278% change) linmin: converged after 5 iterations. iteration 5: trace = 4.383878568871475 (0.06635% change) large trace change predicted (0.244095%) linmin: converged after 5 iterations. iteration 6: trace = 4.374047466163459 (0.224508% change) linmin: converged after 8 iterations. iteration 7: trace = 4.368118485130831 (0.135641% change) linmin: converged after 7 iterations. iteration 8: trace = 4.366002618092194 (0.0484506% change) linmin: converged after 4 iterations. iteration 9: trace = 4.36474279607383 (0.0288594% change) linmin: converged after 4 iterations. iteration 10: trace = 4.364161250576655 (0.0133246% change) linmin: converged after 3 iterations. iteration 11: trace = 4.363987460053582 (0.0039823% change) linmin: converged after 4 iterations. iteration 12: trace = 4.363951770436642 (0.000817825% change) linmin: converged after 8 iterations. iteration 13: trace = 4.363938583509695 (0.000302179% change) linmin: converged after 8 iterations. iteration 14: trace = 4.363930081725975 (0.000194819% change) linmin: converged after 4 iterations. iteration 15: trace = 4.363920378371304 (0.000222354% change) linmin: converged after 5 iterations. iteration 16: trace = 4.363910621596412 (0.000223578% change) linmin: converged after 6 iterations. iteration 17: trace = 4.363903924428309 (0.000153467% change) linmin: converged after 5 iterations. iteration 18: trace = 4.363900915380417 (6.89531e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 4.363900331095293 (1.33891e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 4.363900186219114 (3.31988e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 4.363900088964026 (2.22863e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 4.363900060699542 (6.47689e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 4.36390005530451 (1.23629e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 4.363900051912937 (7.77188e-08% change) linmin: converged after 22 iterations. iteration 25: trace = 4.363900047515015 (1.0078e-07% change) linmin: converged after 10 iterations. iteration 26: trace = 4.363900042904682 (1.05647e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 4.36390004038918 (5.76434e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.36390003927038 (2.56376e-08% change) linmin: converged after 9 iterations. iteration 29: trace = 4.363900038955538 (7.21468e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.363900038873569 (1.87834e-09% change) linmin: converged after 26 iterations. iteration 31: trace = 4.363900038847108 (6.06373e-10% change) linmin: converged after 19 iterations. iteration 32: trace = 4.363900038835858 (2.57789e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.36390003883082 (1.15462e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.363900038828961 (4.25985e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 elapsed time for k point: 0.11079072952270508 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.337244337609678 (0.916306% change) linmin: converged after 5 iterations. iteration 2: trace = 4.328998104322993 (0.190307% change) linmin: converged after 5 iterations. iteration 3: trace = 4.32639370164097 (0.0601799% change) linmin: converged after 4 iterations. iteration 4: trace = 4.326044500292335 (0.00807174% change) linmin: converged after 4 iterations. iteration 5: trace = 4.326009019266948 (0.000820176% change) linmin: converged after 5 iterations. iteration 6: trace = 4.325999490809005 (0.00022026% change) linmin: converged after 6 iterations. iteration 7: trace = 4.325995296299609 (9.69605e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.325994594651871 (1.62193e-05% change) linmin: converged after 21 iterations. iteration 9: trace = 4.325994488077121 (2.46359e-06% change) linmin: converged after 15 iterations. iteration 10: trace = 4.325994468151046 (4.60613e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.325994462562192 (1.29192e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.325994459723793 (6.56126e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.32599445837473 (3.1185e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.325994457749017 (1.4464e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.325994457604776 (3.33429e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.325994457594259 (2.4311e-10% change) linmin: converged after 15 iterations. iteration 17: trace = 4.325994457593159 (2.54382e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 elapsed time for k point: 0.05652260780334473 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.306001070929652 (0.788082% change) linmin: converged after 5 iterations. iteration 2: trace = 4.300360847934489 (0.131071% change) linmin: converged after 5 iterations. iteration 3: trace = 4.298518538322207 (0.04285% change) linmin: converged after 4 iterations. iteration 4: trace = 4.298157359198859 (0.00840276% change) linmin: converged after 4 iterations. iteration 5: trace = 4.29810142377206 (0.00130139% change) linmin: converged after 5 iterations. iteration 6: trace = 4.298085059916545 (0.000380724% change) linmin: converged after 2 iterations. iteration 7: trace = 4.298081361323795 (8.60521e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.298081030130989 (7.7056e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.298080990199845 (9.29046e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.298080980492031 (2.25864e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.298080977563763 (6.81297e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.298080976767695 (1.85215e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.298080976493845 (6.37143e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.298080976439338 (1.26818e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.298080976434354 (1.15949e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.298080976434065 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 elapsed time for k point: 0.053093671798706055 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295193771997795 (0.757652% change) linmin: converged after 5 iterations. iteration 2: trace = 4.289005422997731 (0.14418% change) linmin: converged after 5 iterations. iteration 3: trace = 4.286655525617624 (0.0548039% change) linmin: converged after 4 iterations. iteration 4: trace = 4.286149536707246 (0.0118045% change) linmin: converged after 4 iterations. iteration 5: trace = 4.286096391657205 (0.00123993% change) linmin: converged after 6 iterations. iteration 6: trace = 4.286089079043695 (0.000170613% change) linmin: converged after 4 iterations. iteration 7: trace = 4.286087354619918 (4.0233e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.286087144657689 (4.89869e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.286087124718897 (4.65198e-07% change) linmin: converged after 13 iterations. iteration 10: trace = 4.286087122345822 (5.53669e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.286087121648089 (1.6279e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.286087121456529 (4.46936e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.286087121427353 (6.80709e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.286087121422131 (1.21827e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 4.286087121421341 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 elapsed time for k point: 0.050023555755615234 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295769793792948 (0.789547% change) linmin: converged after 5 iterations. iteration 2: trace = 4.28778519878741 (0.186044% change) linmin: converged after 5 iterations. iteration 3: trace = 4.284595510942272 (0.0744178% change) linmin: converged after 4 iterations. iteration 4: trace = 4.28394415962977 (0.0152033% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283890904445597 (0.00124314% change) linmin: converged after 3 iterations. iteration 6: trace = 4.283887176226487 (8.70288e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.283886858681741 (7.41254e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.283886826915921 (7.41519e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28388682147316 (1.27052e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283886820456615 (2.37295e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283886820322503 (3.1306e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283886820305652 (3.93367e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.283886820302828 (6.59102e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 elapsed time for k point: 0.0436711311340332 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.289328030396198 (0.255282% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28802476019065 (0.0303886% change) linmin: converged after 4 iterations. iteration 3: trace = 4.287906729392985 (0.00275261% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28789198256394 (0.000343917% change) linmin: converged after 5 iterations. iteration 5: trace = 4.287890045876974 (4.51664e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.287889552037952 (1.15171e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.287889502750222 (1.14946e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.28788950034711 (5.60442e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.287889500025852 (7.49223e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.287889499903877 (2.84463e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.287889499875894 (6.52604e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.287889499871681 (9.82656e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 elapsed time for k point: 0.04042696952819824 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.30135680349205 (0.254655% change) linmin: converged after 4 iterations. iteration 2: trace = 4.300043563537508 (0.0305355% change) linmin: converged after 14 iterations. iteration 3: trace = 4.299922855277374 (0.00280718% change) linmin: converged after 5 iterations. iteration 4: trace = 4.299907791777737 (0.000350321% change) linmin: converged after 5 iterations. iteration 5: trace = 4.299905439718406 (5.47002e-05% change) linmin: converged after 5 iterations. iteration 6: trace = 4.299904830345856 (1.41718e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.299904776860712 (1.24387e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.29990477259056 (9.93081e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.299904771447066 (2.65935e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.299904771054305 (9.13419e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.299904770962037 (2.1458e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.29990477094445 (4.09005e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.299904770939916 (1.05448e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.29990477093923 (1.59463e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 elapsed time for k point: 0.046959638595581055 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.321382841090537 (0.254327% change) linmin: converged after 4 iterations. iteration 2: trace = 4.320030166755696 (0.0313068% change) linmin: converged after 4 iterations. iteration 3: trace = 4.319900410607536 (0.00300364% change) linmin: converged after 5 iterations. iteration 4: trace = 4.319883445006697 (0.000392732% change) linmin: converged after 4 iterations. iteration 5: trace = 4.319880164551647 (7.59385e-05% change) linmin: converged after 7 iterations. iteration 6: trace = 4.319879323285329 (1.94743e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.319879250560541 (1.68349e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.319879235729276 (3.43326e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.319879227958102 (1.79893e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.319879225421853 (5.87111e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.319879224813201 (1.40896e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.319879224663673 (3.4614e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.31987922462695 (8.50085e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.319879224622897 (9.3837e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 elapsed time for k point: 0.046839237213134766 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.349129535370816 (0.255944% change) linmin: converged after 4 iterations. iteration 2: trace = 4.347666951089962 (0.033635% change) linmin: converged after 4 iterations. iteration 3: trace = 4.347512401085769 (0.00355484% change) linmin: converged after 4 iterations. iteration 4: trace = 4.347489679971983 (0.000522625% change) linmin: converged after 5 iterations. iteration 5: trace = 4.347484415105871 (0.000121101% change) linmin: converged after 4 iterations. iteration 6: trace = 4.347482964576337 (3.33648e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.347482711409491 (5.8233e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.347482493192526 (5.01939e-06% change) linmin: converged after 12 iterations. iteration 9: trace = 4.347482344420546 (3.42203e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.347482298963948 (1.04558e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.347482289718709 (2.12657e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.347482287039397 (6.1629e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.347482286360999 (1.56044e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.347482286300156 (1.3995e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.347482286295715 (1.02149e-10% change) linmin: converged after 5 iterations. iteration 16: trace = 4.3474822862955 (4.94399e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 elapsed time for k point: 0.05317497253417969 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.383709611536421 (0.261984% change) linmin: converged after 5 iterations. iteration 2: trace = 4.382001036495846 (0.0389831% change) linmin: converged after 5 iterations. iteration 3: trace = 4.381788780260462 (0.00484394% change) linmin: converged after 4 iterations. iteration 4: trace = 4.381750715857315 (0.000868699% change) linmin: converged after 5 iterations. iteration 5: trace = 4.381738092896315 (0.000288081% change) linmin: converged after 6 iterations. iteration 6: trace = 4.381730455726061 (0.000174296% change) linmin: converged after 3 iterations. iteration 7: trace = 4.381717816255641 (0.000288459% change) large trace change predicted (0.00139713%) linmin: converged after 4 iterations. iteration 8: trace = 4.381656919176987 (0.00138981% change) large trace change predicted (0.0051514%) linmin: converged after 5 iterations. iteration 9: trace = 4.381441330733306 (0.00492037% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381282131279325 (0.00363356% change) linmin: converged after 4 iterations. iteration 11: trace = 4.381241296825334 (0.000932025% change) linmin: converged after 4 iterations. iteration 12: trace = 4.381221871387272 (0.000443378% change) linmin: converged after 3 iterations. iteration 13: trace = 4.381216164335712 (0.000130262% change) linmin: converged after 2 iterations. iteration 14: trace = 4.381215701244823 (1.05699e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.381215670929221 (6.91945e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 4.381215668899547 (4.63267e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 4.38121566842275 (1.08827e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 4.38121566818573 (5.40992e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.381215667875738 (7.07548e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.381215667457712 (9.54132e-09% change) large trace change predicted (2.89871e-08%) linmin: converged after 4 iterations. iteration 21: trace = 4.381215666187726 (2.89871e-08% change) large trace change predicted (1.22559e-07%) linmin: converged after 2 iterations. iteration 22: trace = 4.38121566081816 (1.22559e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.381215657974622 (6.49029e-08% change) linmin: converged after 11 iterations. iteration 24: trace = 4.381215657571819 (9.19387e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 4.381215657498213 (1.68004e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.38121565748099 (3.93123e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.381215657476101 (1.11579e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.381215657475532 (1.29946e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 elapsed time for k point: 0.09117865562438965 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.331786090078049 (0.980962% change) linmin: converged after 5 iterations. iteration 2: trace = 4.325045837959946 (0.155721% change) linmin: converged after 4 iterations. iteration 3: trace = 4.323282384521733 (0.0407814% change) linmin: converged after 4 iterations. iteration 4: trace = 4.322801726673121 (0.0111185% change) linmin: converged after 5 iterations. iteration 5: trace = 4.322744261437419 (0.00132936% change) linmin: converged after 5 iterations. iteration 6: trace = 4.322738562405229 (0.000131838% change) linmin: converged after 5 iterations. iteration 7: trace = 4.322737639096739 (2.13593e-05% change) linmin: converged after 14 iterations. iteration 8: trace = 4.322737373315284 (6.14845e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.322737323966322 (1.14161e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.322737320305619 (8.46848e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.322737319841387 (1.07393e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.32273731950741 (7.72606e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.322737319388514 (2.75048e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.322737319377672 (2.50813e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 4.322737319376866 (1.86358e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 elapsed time for k point: 0.050011396408081055 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.30733259192351 (0.923129% change) linmin: converged after 4 iterations. iteration 2: trace = 4.302220684623329 (0.11875% change) linmin: converged after 4 iterations. iteration 3: trace = 4.301135561283071 (0.0252256% change) linmin: converged after 4 iterations. iteration 4: trace = 4.300888756572574 (0.00573829% change) linmin: converged after 4 iterations. iteration 5: trace = 4.3008568198607 (0.000742564% change) linmin: converged after 7 iterations. iteration 6: trace = 4.300852819316737 (9.30174e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.300851758232528 (2.46715e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.300851520938096 (5.51738e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.300851493117166 (6.4687e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.300851491505008 (3.74846e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.30085149141083 (2.18975e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.300851491406211 (1.07386e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.300851491405948 (6.13341e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 elapsed time for k point: 0.043636322021484375 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.324349374017137 (0.940312% change) linmin: converged after 4 iterations. iteration 2: trace = 4.31885438777056 (0.127152% change) linmin: converged after 4 iterations. iteration 3: trace = 4.317434132378246 (0.0328904% change) linmin: converged after 4 iterations. iteration 4: trace = 4.317148349406809 (0.0066195% change) linmin: converged after 4 iterations. iteration 5: trace = 4.317118057908731 (0.000701658% change) linmin: converged after 5 iterations. iteration 6: trace = 4.317114586099012 (8.04196e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.317113326114097 (2.91858e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.317112957372542 (8.54139e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.31711290354308 (1.24689e-06% change) linmin: converged after 14 iterations. iteration 10: trace = 4.317112897314944 (1.44266e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.317112896825685 (1.1333e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.31711289679096 (8.0436e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.317112896788793 (5.01786e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 elapsed time for k point: 0.043723344802856445 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.370612521887688 (1.0309% change) linmin: converged after 3 iterations. iteration 2: trace = 4.362179672344748 (0.193131% change) linmin: converged after 5 iterations. iteration 3: trace = 4.358935647496757 (0.0743947% change) linmin: converged after 4 iterations. iteration 4: trace = 4.358364216793742 (0.0131103% change) linmin: converged after 4 iterations. iteration 5: trace = 4.358306058549726 (0.00133441% change) linmin: converged after 4 iterations. iteration 6: trace = 4.358298660455427 (0.000169747% change) linmin: converged after 5 iterations. iteration 7: trace = 4.358297720839165 (2.15592e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.358297586070673 (3.09223e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.358297546325382 (9.11945e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.358297522360147 (5.49876e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.358297517194552 (1.18523e-07% change) linmin: converged after 15 iterations. iteration 12: trace = 4.358297516480512 (1.63835e-08% change) linmin: converged after 14 iterations. iteration 13: trace = 4.358297516296371 (4.22506e-09% change) linmin: converged after 8 iterations. iteration 14: trace = 4.358297516225988 (1.61492e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.35829751621598 (2.29651e-10% change) linmin: converged after 14 iterations. iteration 16: trace = 4.358297516212385 (8.24739e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 elapsed time for k point: 0.05331587791442871 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.411986819853022 (1.21496% change) linmin: converged after 5 iterations. iteration 2: trace = 4.395278738318527 (0.379416% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386670154538979 (0.196052% change) linmin: converged after 4 iterations. iteration 4: trace = 4.385375435085717 (0.0295192% change) linmin: converged after 4 iterations. iteration 5: trace = 4.385158037461173 (0.00495745% change) linmin: converged after 5 iterations. iteration 6: trace = 4.385115462211111 (0.000970899% change) linmin: converged after 5 iterations. iteration 7: trace = 4.385101645836655 (0.000315075% change) linmin: converged after 6 iterations. iteration 8: trace = 4.385091804775308 (0.000224421% change) linmin: converged after 6 iterations. iteration 9: trace = 4.385087112979726 (0.000106994% change) linmin: converged after 3 iterations. iteration 10: trace = 4.385086288853222 (1.87938e-05% change) linmin: converged after 18 iterations. iteration 11: trace = 4.385086150105526 (3.16408e-06% change) linmin: converged after 24 iterations. iteration 12: trace = 4.385086139697305 (2.37355e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.385086139058149 (1.45757e-08% change) linmin: converged after 18 iterations. iteration 14: trace = 4.385086138940978 (2.67204e-09% change) large trace change predicted (7.99145e-09%) linmin: converged after 19 iterations. iteration 15: trace = 4.385086138590539 (7.99161e-09% change) large trace change predicted (6.99046e-08%) linmin: converged after 4 iterations. iteration 16: trace = 4.385086135525146 (6.9905e-08% change) large trace change predicted (2.99638e-07%) linmin: converged after 15 iterations. iteration 17: trace = 4.38508612238568 (2.9964e-07% change) large trace change predicted (1.05365e-06%) linmin: converged after 4 iterations. iteration 18: trace = 4.385086076184955 (1.05359e-06% change) near maximum in trace linmin: converged after 11 iterations. iteration 19: trace = 4.385075354205838 (0.00024451% change) linmin: converged after 9 iterations. iteration 20: trace = 4.385074742555071 (1.39485e-05% change) linmin: converged after 7 iterations. iteration 21: trace = 4.385074123016911 (1.41283e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.385073489483645 (1.44475e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.385072830671909 (1.5024e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.385072133156352 (1.59066e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 4.385071381701924 (1.71367e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.38507055881408 (1.87657e-05% change) linmin: converged after 11 iterations. iteration 27: trace = 4.385069644258448 (2.08561e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.385068615201292 (2.34673e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.385067448165703 (2.66139e-05% change) linmin: converged after 12 iterations. iteration 30: trace = 4.385066125006874 (3.01742e-05% change) linmin: converged after 10 iterations. iteration 31: trace = 4.385064645392967 (3.37421e-05% change) linmin: converged after 10 iterations. iteration 32: trace = 4.385063043532337 (3.65299e-05% change) linmin: converged after 7 iterations. iteration 33: trace = 4.385061393686593 (3.76242e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 4.385059785765457 (3.66682e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 4.38505828571092 (3.42083e-05% change) linmin: converged after 10 iterations. iteration 36: trace = 4.385056918715764 (3.11739e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 4.38505568014297 (2.82453e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.385054552447188 (2.57168e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 4.385053515901609 (2.36381e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 4.385052553115354 (2.19561e-05% change) linmin: converged after 10 iterations. iteration 41: trace = 4.385051650230681 (2.05901e-05% change) linmin: converged after 8 iterations. iteration 42: trace = 4.385050796780807 (1.94627e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.385049985135449 (1.85094e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.385049209893258 (1.76792e-05% change) linmin: converged after 6 iterations. iteration 45: trace = 4.385048467337937 (1.69338e-05% change) linmin: converged after 8 iterations. iteration 46: trace = 4.385047754984416 (1.62451e-05% change) linmin: converged after 12 iterations. iteration 47: trace = 4.385047071278264 (1.55918e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 4.385046415093593 (1.49641e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.385045785697033 (1.43532e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 4.385045182665159 (1.3752e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 4.385044605515017 (1.31618e-05% change) linmin: converged after 7 iterations. iteration 52: trace = 4.385044053772608 (1.25824e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.385043526949073 (1.20141e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 4.38504302444603 (1.14595e-05% change) linmin: converged after 7 iterations. iteration 55: trace = 4.385042545584802 (1.09203e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 4.385042089573762 (1.03992e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.385041655577478 (9.8972e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 4.385041242694529 (9.41571e-06% change) linmin: converged after 7 iterations. iteration 59: trace = 4.385040849983951 (8.95569e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 4.385040476484113 (8.51759e-06% change) linmin: converged after 5 iterations. iteration 61: trace = 4.385040121217231 (8.10179e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 4.385039783217611 (7.70802e-06% change) linmin: converged after 5 iterations. iteration 63: trace = 4.385039461533078 (7.33595e-06% change) linmin: converged after 8 iterations. iteration 64: trace = 4.385039155231173 (6.98516e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 4.385038863412921 (6.65486e-06% change) linmin: converged after 5 iterations. iteration 66: trace = 4.385038585211775 (6.34433e-06% change) linmin: converged after 11 iterations. iteration 67: trace = 4.385038319799365 (6.05268e-06% change) linmin: converged after 5 iterations. iteration 68: trace = 4.385038066386834 (5.77903e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 4.385037824224584 (5.52247e-06% change) resetting CG direction... large trace change predicted (0.00313316%) linmin: converged after 4 iterations. iteration 70: trace = 4.384900323834382 (0.00313572% change) linmin: converged after 5 iterations. iteration 71: trace = 4.384884251653409 (0.000366535% change) linmin: converged after 15 iterations. iteration 72: trace = 4.384873438099873 (0.00024661% change) linmin: converged after 4 iterations. iteration 73: trace = 4.384870687921397 (6.27197e-05% change) linmin: converged after 8 iterations. iteration 74: trace = 4.384870449208404 (5.44401e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 4.384870415805898 (7.61767e-07% change) linmin: converged after 6 iterations. iteration 76: trace = 4.38487040111867 (3.34952e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 4.384870393492229 (1.73926e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 4.384870389505634 (9.09171e-08% change) linmin: converged after 17 iterations. iteration 79: trace = 4.384870388333979 (2.67204e-08% change) linmin: converged after 7 iterations. iteration 80: trace = 4.384870388228482 (2.40593e-09% change) linmin: converged after 5 iterations. iteration 81: trace = 4.384870388201534 (6.14553e-10% change) large trace change predicted (3.52788e-09%) linmin: converged after 3 iterations. iteration 82: trace = 4.384870388046835 (3.52803e-09% change) large trace change predicted (3.76309e-08%) linmin: converged after 11 iterations. iteration 83: trace = 4.384870386396763 (3.7631e-08% change) large trace change predicted (1.53218e-07%) linmin: converged after 4 iterations. iteration 84: trace = 4.384870379678431 (1.53216e-07% change) linmin: converged after 12 iterations. iteration 85: trace = 4.384870373496177 (1.40991e-07% change) linmin: converged after 5 iterations. iteration 86: trace = 4.384870369364628 (9.42228e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 4.384870363595912 (1.3156e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 4.384870360433216 (7.21275e-08% change) linmin: converged after 4 iterations. iteration 89: trace = 4.384870359582584 (1.93993e-08% change) linmin: converged after 19 iterations. iteration 90: trace = 4.384870359189021 (8.97547e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 4.384870359114158 (1.7073e-09% change) linmin: converged after 3 iterations. iteration 92: trace = 4.384870359106892 (1.6571e-10% change) linmin: converged after 6 iterations. iteration 93: trace = 4.384870359106214 (1.5455e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.24817705154418945 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354986 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431465 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261712 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6918627724774278 at Vector3<0.0, 0.5, 0.0> to 0.7476220778306566 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7443374497087797 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092521 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.78527869844185 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712554 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.7856577771856614 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014186 at Vector3<0.0, 0.5, 0.0> Band 8 range: 1.0540350508135126 at Vector3<0.0, 0.5, 0.0> to 1.149276938923452 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.3351167660354986) to band 2 (0.3351850759916969), 0.020381849464022318% Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431465), 28.919416524522983% Gap from band 5 (0.7793792212092521) to band 6 (0.78527869844185), 0.7540916335135398% Gap from band 7 (0.9122560439014186) to band 8 (1.0540350508135126), 14.420958045649781% total elapsed time for run: 1.1368253231048584 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015423297882080078 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 17.92607897538319 (194.877% change) linmin: converged after 7 iterations. iteration 2: trace = 7.881119914880881 (77.8462% change) linmin: converged after 5 iterations. iteration 3: trace = 6.848510109177969 (14.0209% change) linmin: converged after 7 iterations. iteration 4: trace = 6.588886523633432 (3.86419% change) linmin: converged after 4 iterations. iteration 5: trace = 6.523769424240228 (0.993195% change) linmin: converged after 4 iterations. iteration 6: trace = 6.496465469866148 (0.419408% change) linmin: converged after 5 iterations. iteration 7: trace = 6.483109823717936 (0.205795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.47489345606278 (0.126815% change) linmin: converged after 4 iterations. iteration 9: trace = 6.472166897132243 (0.0421186% change) linmin: converged after 4 iterations. iteration 10: trace = 6.470881088000219 (0.0198687% change) linmin: converged after 4 iterations. iteration 11: trace = 6.470157573753596 (0.0111817% change) linmin: converged after 4 iterations. iteration 12: trace = 6.469608843969674 (0.00848129% change) linmin: converged after 4 iterations. iteration 13: trace = 6.469122408660828 (0.00751906% change) linmin: converged after 5 iterations. iteration 14: trace = 6.468841027070809 (0.0043497% change) linmin: converged after 4 iterations. iteration 15: trace = 6.468666577909485 (0.0026968% change) linmin: converged after 4 iterations. iteration 16: trace = 6.468592519452094 (0.00114489% change) linmin: converged after 5 iterations. iteration 17: trace = 6.468566795431892 (0.000397676% change) linmin: converged after 4 iterations. iteration 18: trace = 6.468554711940077 (0.000186803% change) linmin: converged after 5 iterations. iteration 19: trace = 6.468546490013788 (0.000127106% change) linmin: converged after 5 iterations. iteration 20: trace = 6.468532135358178 (0.000221915% change) large trace change predicted (0.00051345%) linmin: converged after 5 iterations. iteration 21: trace = 6.468498926665532 (0.00051339% change) large trace change predicted (0.00142191%) linmin: converged after 5 iterations. iteration 22: trace = 6.468407161827736 (0.00141865% change) large trace change predicted (0.00515645%) linmin: converged after 4 iterations. iteration 23: trace = 6.468086335224053 (0.00496002% change) large trace change predicted (0.0109938%) linmin: converged after 11 iterations. iteration 24: trace = 6.467419876416453 (0.0103043% change) linmin: converged after 7 iterations. iteration 25: trace = 6.466887403808943 (0.00823349% change) linmin: converged after 5 iterations. iteration 26: trace = 6.46664078986795 (0.00381356% change) linmin: converged after 3 iterations. iteration 27: trace = 6.466547272917 (0.00144615% change) linmin: converged after 8 iterations. iteration 28: trace = 6.466507039001571 (0.000622187% change) linmin: converged after 3 iterations. iteration 29: trace = 6.466489937738228 (0.000264459% change) linmin: converged after 3 iterations. iteration 30: trace = 6.466483473165567 (9.99704e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466478920808034 (7.03993e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466475299913414 (5.59949e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.46647264014508 (4.11317e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.466470979754835 (2.56769e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.466469915055258 (1.64649e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.466469179614521 (1.13731e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.46646875172329 (6.61708e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466468412457695 (5.24654e-06% change) linmin: converged after 6 iterations. iteration 39: trace = 6.466467929858439 (7.4631e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 6.466467100420315 (1.28268e-05% change) large trace change predicted (2.85188e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.466465255870575 (2.85248e-05% change) large trace change predicted (6.2393e-05%) linmin: converged after 6 iterations. iteration 42: trace = 6.466461220016761 (6.24121e-05% change) large trace change predicted (0.000157529%) linmin: converged after 5 iterations. iteration 43: trace = 6.46645103001381 (0.000157582% change) linmin: converged after 8 iterations. iteration 44: trace = 6.466433013341643 (0.000278618% change) linmin: converged after 6 iterations. iteration 45: trace = 6.466416782672162 (0.000250999% change) linmin: converged after 5 iterations. iteration 46: trace = 6.4664094905272 (0.00011277% change) linmin: converged after 5 iterations. iteration 47: trace = 6.466406899774644 (4.00648e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.46640609447639 (1.24536e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 6.466405844610549 (3.86406e-06% change) linmin: converged after 2 iterations. iteration 50: trace = 6.466405769905435 (1.15528e-06% change) linmin: converged after 2 iterations. iteration 51: trace = 6.466405747179933 (3.51439e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 6.466405737995057 (1.4204e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 6.466405731537542 (9.98625e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.466405724918882 (1.02355e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 6.46640571804728 (1.06266e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 6.46640571327516 (7.37987e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.466405709707839 (5.5167e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 6.466405707036908 (4.13047e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.46640570413072 (4.49429e-08% change) linmin: converged after 2 iterations. iteration 60: trace = 6.466405699086192 (7.80113e-08% change) large trace change predicted (1.56029e-07%) linmin: converged after 4 iterations. iteration 61: trace = 6.466405688996683 (1.5603e-07% change) large trace change predicted (3.74427e-07%) linmin: converged after 10 iterations. iteration 62: trace = 6.466405664784492 (3.7443e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 6.466405627488661 (5.76763e-07% change) linmin: converged after 12 iterations. iteration 64: trace = 6.466405586875672 (6.28061e-07% change) linmin: converged after 23 iterations. iteration 65: trace = 6.466405565064147 (3.37305e-07% change) linmin: converged after 6 iterations. iteration 66: trace = 6.4664055559071 (1.4161e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 6.46640555260463 (5.10712e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.466405551334199 (1.96466e-08% change) linmin: converged after 2 iterations. iteration 69: trace = 6.466405550798717 (8.28098e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.466405550641908 (2.42498e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 6.466405550503332 (2.14302e-09% change) linmin: converged after 9 iterations. iteration 72: trace = 6.466405550444732 (9.06212e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 6.466405550414196 (4.72232e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 6.466405550383241 (4.78702e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.466405550351419 (4.92121e-10% change) large trace change predicted (1.03796e-09%) linmin: converged after 4 iterations. iteration 76: trace = 6.466405550284295 (1.03804e-09% change) large trace change predicted (2.15828e-09%) linmin: converged after 3 iterations. iteration 77: trace = 6.466405550144725 (2.15837e-09% change) large trace change predicted (4.86816e-09%) linmin: converged after 2 iterations. iteration 78: trace = 6.466405549829948 (4.86789e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.466405549268318 (8.68535e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.466405548565625 (1.08668e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.466405547892629 (1.04076e-08% change) linmin: converged after 3 iterations. iteration 82: trace = 6.466405547384065 (7.86471e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 6.466405546956302 (6.61517e-09% change) linmin: converged after 12 iterations. iteration 84: trace = 6.466405546505226 (6.97568e-09% change) linmin: converged after 5 iterations. iteration 85: trace = 6.466405546056942 (6.93251e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.466405545724251 (5.14492e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 6.466405545536705 (2.90031e-09% change) linmin: converged after 2 iterations. iteration 88: trace = 6.46640554546141 (1.16439e-09% change) linmin: converged after 3 iterations. iteration 89: trace = 6.466405545440695 (3.20348e-10% change) linmin: converged after 4 iterations. iteration 90: trace = 6.466405545433981 (1.03839e-10% change) linmin: converged after 3 iterations. iteration 91: trace = 6.466405545431611 (3.66457e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 elapsed time for k point: 0.2428891658782959 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.464067053669357 (0.950104% change) linmin: converged after 6 iterations. iteration 2: trace = 6.434765702784639 (0.454326% change) linmin: converged after 4 iterations. iteration 3: trace = 6.415644747700409 (0.297593% change) linmin: converged after 5 iterations. iteration 4: trace = 6.394653603632566 (0.327723% change) linmin: converged after 5 iterations. iteration 5: trace = 6.384220860662882 (0.163281% change) linmin: converged after 4 iterations. iteration 6: trace = 6.377901272319226 (0.0990366% change) linmin: converged after 4 iterations. iteration 7: trace = 6.375261062399932 (0.0414048% change) linmin: converged after 4 iterations. iteration 8: trace = 6.373625086028884 (0.0256646% change) linmin: converged after 4 iterations. iteration 9: trace = 6.372011047626751 (0.0253269% change) linmin: converged after 4 iterations. iteration 10: trace = 6.370462458419555 (0.0243059% change) linmin: converged after 5 iterations. iteration 11: trace = 6.369069011403234 (0.021876% change) linmin: converged after 4 iterations. iteration 12: trace = 6.368402519858785 (0.0104651% change) linmin: converged after 3 iterations. iteration 13: trace = 6.368153913662254 (0.00390382% change) linmin: converged after 3 iterations. iteration 14: trace = 6.368046529099064 (0.00168629% change) linmin: converged after 5 iterations. iteration 15: trace = 6.368001436765208 (0.000708106% change) linmin: converged after 5 iterations. iteration 16: trace = 6.367977391422778 (0.000377597% change) linmin: converged after 4 iterations. iteration 17: trace = 6.367957304381571 (0.000315439% change) linmin: converged after 4 iterations. iteration 18: trace = 6.367940626652769 (0.000261901% change) linmin: converged after 4 iterations. iteration 19: trace = 6.367929610028832 (0.000173002% change) linmin: converged after 5 iterations. iteration 20: trace = 6.367922428078566 (0.000112783% change) linmin: converged after 5 iterations. iteration 21: trace = 6.367918388195516 (6.34412e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 6.367915639597514 (4.31632e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 6.36791367406002 (3.08663e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 6.367912248326844 (2.23893e-05% change) linmin: converged after 16 iterations. iteration 25: trace = 6.367910983142096 (1.98681e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 6.367910002777575 (1.53954e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.36790948337494 (8.15656e-06% change) linmin: converged after 17 iterations. iteration 28: trace = 6.367909240413528 (3.8154e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 6.367909155901631 (1.32715e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.367909122690511 (5.21539e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 6.367909103766926 (2.97171e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 6.367909090577581 (2.07122e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 6.367909079277712 (1.7745e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 6.36790906864871 (1.66915e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 6.367909061036064 (1.19547e-07% change) linmin: converged after 4 iterations. iteration 36: trace = 6.367909056621686 (6.93223e-08% change) linmin: converged after 7 iterations. iteration 37: trace = 6.367909054296987 (3.65065e-08% change) linmin: converged after 25 iterations. iteration 38: trace = 6.367909052624112 (2.62704e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 6.367909051314635 (2.05637e-08% change) linmin: converged after 19 iterations. iteration 40: trace = 6.367909050370923 (1.48198e-08% change) linmin: converged after 12 iterations. iteration 41: trace = 6.367909049791789 (9.09459e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 6.367909049418208 (5.86661e-09% change) linmin: converged after 7 iterations. iteration 43: trace = 6.367909049257634 (2.52162e-09% change) linmin: converged after 15 iterations. iteration 44: trace = 6.367909049201551 (8.80701e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 6.36790904918262 (2.97296e-10% change) linmin: converged after 16 iterations. iteration 46: trace = 6.367909049171294 (1.77861e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 6.36790904915873 (1.97291e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 6.367909049144634 (2.21364e-10% change) linmin: converged after 3 iterations. iteration 49: trace = 6.367909049133674 (1.72115e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 6.367909049127841 (9.15947e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 elapsed time for k point: 0.1625533103942871 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 6.320003260588898 (0.45358% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311018991319353 (0.142257% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308745252010862 (0.0360346% change) linmin: converged after 3 iterations. iteration 4: trace = 6.30786887448632 (0.0138924% change) linmin: converged after 3 iterations. iteration 5: trace = 6.307557660640787 (0.00493386% change) linmin: converged after 3 iterations. iteration 6: trace = 6.307472354505054 (0.00135245% change) linmin: converged after 18 iterations. iteration 7: trace = 6.307433279783377 (0.000619501% change) linmin: converged after 3 iterations. iteration 8: trace = 6.307420189300787 (0.000207541% change) linmin: converged after 3 iterations. iteration 9: trace = 6.307414904205114 (8.37918e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.307412046921455 (4.53004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.307410415159065 (2.58706e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.307409446531607 (1.5357e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.307408968969276 (7.57145e-06% change) linmin: converged after 26 iterations. iteration 14: trace = 6.307408722233328 (3.91184e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.307408593328495 (2.04371e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 6.307408549531673 (6.94371e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.307408534807223 (2.33447e-07% change) linmin: converged after 8 iterations. iteration 18: trace = 6.307408529970343 (7.66857e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 6.307408528488401 (2.34953e-08% change) linmin: converged after 10 iterations. iteration 20: trace = 6.307408528005171 (7.66131e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 6.307408527853786 (2.40011e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 6.307408527794083 (9.46559e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.307408527756509 (5.95704e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 6.307408527736825 (3.12074e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 6.307408527727556 (1.46969e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 6.307408527722558 (7.92367e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 elapsed time for k point: 0.08521628379821777 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.297463613016943 (0.437255% change) linmin: converged after 4 iterations. iteration 2: trace = 6.286946394765085 (0.167147% change) linmin: converged after 3 iterations. iteration 3: trace = 6.284028604057987 (0.0464211% change) linmin: converged after 4 iterations. iteration 4: trace = 6.282826267186057 (0.019135% change) linmin: converged after 3 iterations. iteration 5: trace = 6.282353152588189 (0.00753057% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282211510432963 (0.00225463% change) linmin: converged after 4 iterations. iteration 7: trace = 6.28210807752835 (0.00164645% change) linmin: converged after 4 iterations. iteration 8: trace = 6.282049428305429 (0.000933596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282007604384527 (0.000665771% change) linmin: converged after 4 iterations. iteration 10: trace = 6.28198892944936 (0.000297277% change) linmin: converged after 4 iterations. iteration 11: trace = 6.281981237844897 (0.000122439% change) linmin: converged after 5 iterations. iteration 12: trace = 6.281976759972078 (7.12812e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.281973995724723 (4.40028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 6.2819724946079 (2.38956e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.281971806094752 (1.09601e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.281971630844388 (2.78974e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 6.281971579295186 (8.2059e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.281971566101337 (2.10027e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.281971562304189 (6.04452e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.281971560806635 (2.38389e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.281971560352624 (7.22721e-09% change) linmin: converged after 18 iterations. iteration 22: trace = 6.281971560186316 (2.64738e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 6.281971560120156 (1.05318e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 6.281971560091684 (4.53239e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 6.281971560080303 (1.81157e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 6.281971560075127 (8.23994e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 elapsed time for k point: 0.0849761962890625 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.300840158369326 (0.430756% change) linmin: converged after 4 iterations. iteration 2: trace = 6.289206684355614 (0.184804% change) linmin: converged after 3 iterations. iteration 3: trace = 6.286050269834831 (0.0502004% change) linmin: converged after 4 iterations. iteration 4: trace = 6.284751976800665 (0.0206557% change) linmin: converged after 4 iterations. iteration 5: trace = 6.28407227131049 (0.0108157% change) linmin: converged after 4 iterations. iteration 6: trace = 6.283704056617327 (0.00585966% change) linmin: converged after 7 iterations. iteration 7: trace = 6.2832585270345 (0.00709049% change) linmin: converged after 4 iterations. iteration 8: trace = 6.283014882136316 (0.00387776% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282869782341344 (0.00230942% change) linmin: converged after 4 iterations. iteration 10: trace = 6.282800167351094 (0.00110802% change) linmin: converged after 4 iterations. iteration 11: trace = 6.28274700499586 (0.000846161% change) linmin: converged after 9 iterations. iteration 12: trace = 6.282703557060905 (0.000691546% change) linmin: converged after 5 iterations. iteration 13: trace = 6.282682229334572 (0.000339468% change) linmin: converged after 4 iterations. iteration 14: trace = 6.282675130392991 (0.000112992% change) linmin: converged after 3 iterations. iteration 15: trace = 6.282672608965546 (4.0133e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.282672096548786 (8.15603e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 6.282671912329325 (2.93218e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 6.28267184119006 (1.13231e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 6.282671801233814 (6.35975e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.282671779010525 (3.53724e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.28267177078478 (1.30928e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.282671767753041 (4.82556e-08% change) linmin: converged after 16 iterations. iteration 23: trace = 6.282671766763957 (1.57431e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 6.282671766458821 (4.85679e-09% change) linmin: converged after 13 iterations. iteration 25: trace = 6.282671766336982 (1.93928e-09% change) linmin: converged after 8 iterations. iteration 26: trace = 6.282671766260689 (1.21434e-09% change) linmin: converged after 10 iterations. iteration 27: trace = 6.282671766201561 (9.41125e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 6.282671766155276 (7.36719e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.282671766133061 (3.53593e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 6.282671766123542 (1.51506e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 6.28267176611981 (5.94035e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 elapsed time for k point: 0.10099363327026367 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.32305852451857 (0.41541% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311730025503867 (0.179322% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308426930511856 (0.0523463% change) linmin: converged after 4 iterations. iteration 4: trace = 6.306501212724845 (0.0305308% change) linmin: converged after 4 iterations. iteration 5: trace = 6.304352136232588 (0.034083% change) linmin: converged after 4 iterations. iteration 6: trace = 6.302203468400638 (0.0340881% change) linmin: converged after 5 iterations. iteration 7: trace = 6.299495340678916 (0.0429804% change) linmin: converged after 4 iterations. iteration 8: trace = 6.298130082632392 (0.0216748% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296931272767017 (0.0190362% change) linmin: converged after 4 iterations. iteration 10: trace = 6.295807443255548 (0.0178488% change) linmin: converged after 4 iterations. iteration 11: trace = 6.294899315455991 (0.0144254% change) linmin: converged after 3 iterations. iteration 12: trace = 6.294524809215385 (0.00594954% change) linmin: converged after 3 iterations. iteration 13: trace = 6.294437485924472 (0.0013873% change) linmin: converged after 4 iterations. iteration 14: trace = 6.294418376016299 (0.0003036% change) linmin: converged after 5 iterations. iteration 15: trace = 6.29441118909261 (0.000114179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.294408935263553 (3.58068e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 6.294407437985897 (2.37874e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 6.294406459003853 (1.55532e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 6.294405986379172 (7.50865e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 6.294405825788342 (2.55133e-06% change) linmin: converged after 11 iterations. iteration 21: trace = 6.294405782629283 (6.85673e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 6.294405766447001 (2.5709e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 6.294405751369214 (2.39543e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 6.294405733484961 (2.84129e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 6.294405719045192 (2.29406e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 6.294405712361771 (1.0618e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.294405710179676 (3.46672e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 6.294405708996514 (1.8797e-08% change) linmin: converged after 17 iterations. iteration 29: trace = 6.294405707877621 (1.7776e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 6.294405706286289 (2.52817e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 6.294405704817201 (2.33396e-08% change) linmin: converged after 5 iterations. iteration 32: trace = 6.294405704102932 (1.13477e-08% change) linmin: converged after 17 iterations. iteration 33: trace = 6.29440570376873 (5.30951e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 6.294405703545728 (3.54286e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 6.29440570340198 (2.28373e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 6.294405703320329 (1.2972e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 6.294405703286797 (5.32732e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 6.294405703273481 (2.1156e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 6.294405703268606 (7.7439e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 elapsed time for k point: 0.1265108585357666 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.304124176924446 (0.136202% change) linmin: converged after 4 iterations. iteration 2: trace = 6.299143727762917 (0.0790343% change) linmin: converged after 4 iterations. iteration 3: trace = 6.297619114860192 (0.0242064% change) linmin: converged after 4 iterations. iteration 4: trace = 6.296869484147609 (0.0119041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.296579810595722 (0.00460038% change) linmin: converged after 5 iterations. iteration 6: trace = 6.296498469687463 (0.00129184% change) linmin: converged after 4 iterations. iteration 7: trace = 6.29647411415061 (0.000386812% change) linmin: converged after 3 iterations. iteration 8: trace = 6.296468894841439 (8.28926e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 6.296468163009845 (1.16229e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.296467941171192 (3.52322e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 6.29646786532974 (1.20451e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 6.296467833969841 (4.98055e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 6.296467809829995 (3.83387e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 6.296467783022479 (4.25755e-07% change) linmin: converged after 23 iterations. iteration 15: trace = 6.296467750315609 (5.19448e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.296467727879383 (3.5633e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.296467716753019 (1.76708e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.296467707688741 (1.43958e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 6.296467699980609 (1.2242e-07% change) linmin: converged after 27 iterations. iteration 20: trace = 6.296467694261516 (9.08302e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.296467691403795 (4.53861e-08% change) linmin: converged after 18 iterations. iteration 22: trace = 6.296467690402601 (1.59009e-08% change) linmin: converged after 12 iterations. iteration 23: trace = 6.296467690046346 (5.65801e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 6.296467689824289 (3.52669e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.296467689597056 (3.6089e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 6.296467689392047 (3.25593e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 6.296467689305398 (1.37615e-09% change) linmin: converged after 7 iterations. iteration 28: trace = 6.296467689279564 (4.10301e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.296467689270653 (1.41525e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 6.296467689265775 (7.747e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 elapsed time for k point: 0.09802985191345215 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.30975586923275 (0.140741% change) linmin: converged after 5 iterations. iteration 2: trace = 6.304446785318165 (0.0841763% change) linmin: converged after 4 iterations. iteration 3: trace = 6.302898425009155 (0.0245628% change) linmin: converged after 4 iterations. iteration 4: trace = 6.302200209028445 (0.0110783% change) linmin: converged after 4 iterations. iteration 5: trace = 6.301949962624072 (0.00397086% change) linmin: converged after 5 iterations. iteration 6: trace = 6.301878185411298 (0.00113897% change) linmin: converged after 5 iterations. iteration 7: trace = 6.301853710018614 (0.000388383% change) linmin: converged after 2 iterations. iteration 8: trace = 6.30184808726186 (8.92239e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 6.301846911960207 (1.86501e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 6.301846388216834 (8.31095e-06% change) linmin: converged after 16 iterations. iteration 11: trace = 6.301846085007986 (4.81143e-06% change) linmin: converged after 7 iterations. iteration 12: trace = 6.301845888867719 (3.11243e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.301845757622948 (2.08264e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 6.301845698619576 (9.36287e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 6.301845668235452 (4.82146e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 6.301845649790792 (2.92687e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.30184562932028 (3.24834e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.3018456018491 (4.35923e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 6.301845579579587 (3.53381e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.301845567110187 (1.97869e-07% change) linmin: converged after 21 iterations. iteration 21: trace = 6.301845561609795 (8.72822e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 6.301845559125029 (3.94292e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 6.301845557289972 (2.91194e-08% change) linmin: converged after 14 iterations. iteration 24: trace = 6.301845555247243 (3.24148e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.301845553038588 (3.50478e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 6.30184555168397 (2.14956e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 6.301845551182753 (7.95349e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 6.301845550984639 (3.14374e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 6.301845550903849 (1.28201e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 6.301845550857777 (7.31081e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.301845550833526 (3.84835e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 6.301845550825478 (1.27705e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.301845550822882 (4.11966e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 elapsed time for k point: 0.10762548446655273 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317078115565954 (0.146594% change) linmin: converged after 5 iterations. iteration 2: trace = 6.311483197730214 (0.0886074% change) linmin: converged after 4 iterations. iteration 3: trace = 6.310056572930605 (0.0226062% change) linmin: converged after 8 iterations. iteration 4: trace = 6.309473827662909 (0.00923561% change) linmin: converged after 4 iterations. iteration 5: trace = 6.309287208923827 (0.0029578% change) linmin: converged after 4 iterations. iteration 6: trace = 6.3092292265646 (0.000919004% change) linmin: converged after 3 iterations. iteration 7: trace = 6.309202973780172 (0.000416102% change) linmin: converged after 5 iterations. iteration 8: trace = 6.309194406599303 (0.000135789% change) linmin: converged after 3 iterations. iteration 9: trace = 6.309190349198362 (6.43094e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.30918737596305 (4.71255e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.30918556745539 (2.86647e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 6.309184755087376 (1.2876e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.309184446575687 (4.88988e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.3091843520256 (1.49861e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.309184300579695 (8.15413e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.30918425767296 (6.80068e-07% change) linmin: converged after 28 iterations. iteration 17: trace = 6.30918419871607 (9.34461e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 6.309184133927531 (1.02689e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 6.30918409968129 (5.428e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.309184084106096 (2.46865e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.309184076911389 (1.14035e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.309184072438057 (7.09019e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 6.309184068130108 (6.82806e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 6.30918406321269 (7.79406e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.309184056450055 (1.07187e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.309184051362617 (8.06354e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 6.309184048652941 (4.29481e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 6.309184047348843 (2.06698e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 6.309184046823375 (8.32863e-09% change) linmin: converged after 5 iterations. iteration 30: trace = 6.309184046545847 (4.39878e-09% change) linmin: converged after 5 iterations. iteration 31: trace = 6.309184046419697 (1.99948e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 6.309184046373008 (7.40014e-10% change) linmin: converged after 11 iterations. iteration 33: trace = 6.309184046358341 (2.32463e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.309184046353368 (7.88202e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 elapsed time for k point: 0.11069822311401367 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.32572780193767 (0.146427% change) linmin: converged after 5 iterations. iteration 2: trace = 6.320285470991051 (0.0860719% change) linmin: converged after 4 iterations. iteration 3: trace = 6.319074550849309 (0.0191611% change) linmin: converged after 4 iterations. iteration 4: trace = 6.318622553858084 (0.00715315% change) linmin: converged after 4 iterations. iteration 5: trace = 6.318479349131765 (0.00226642% change) linmin: converged after 4 iterations. iteration 6: trace = 6.31842028843446 (0.000934734% change) linmin: converged after 3 iterations. iteration 7: trace = 6.318374042077405 (0.000731932% change) linmin: converged after 7 iterations. iteration 8: trace = 6.318349508622388 (0.000388288% change) linmin: converged after 5 iterations. iteration 9: trace = 6.318335411525507 (0.000223114% change) linmin: converged after 5 iterations. iteration 10: trace = 6.318328246609449 (0.000113399% change) linmin: converged after 5 iterations. iteration 11: trace = 6.31832558476924 (4.21289e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.318324523262488 (1.68004e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.318324118772354 (6.40186e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.318323928381334 (3.01332e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.318323717793441 (3.33297e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 6.318323450132179 (4.23627e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 6.318323137017827 (4.95566e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.318322959162462 (2.81491e-06% change) linmin: converged after 22 iterations. iteration 19: trace = 6.318322903495078 (8.81047e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 6.318322888313309 (2.40282e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 6.318322883797162 (7.1477e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.318322882181396 (2.55727e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.31832288139463 (1.24521e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.318322880964165 (6.81297e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.318322880605027 (5.68407e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 6.3183228802096 (6.25843e-09% change) linmin: converged after 30 iterations. iteration 27: trace = 6.318322879598529 (9.6714e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 6.318322878497079 (1.74326e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 6.318322877602431 (1.41596e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 6.318322877083818 (8.20808e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.318322876807065 (4.38018e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 6.318322876668269 (2.19672e-09% change) linmin: converged after 10 iterations. iteration 33: trace = 6.318322876613934 (8.59962e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.318322876598199 (2.49037e-10% change) linmin: converged after 6 iterations. iteration 35: trace = 6.318322876593966 (6.69966e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 elapsed time for k point: 0.11357593536376953 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.337373568352012 (0.139364% change) linmin: converged after 4 iterations. iteration 2: trace = 6.332424094185279 (0.0781303% change) linmin: converged after 4 iterations. iteration 3: trace = 6.331354309828022 (0.0168952% change) linmin: converged after 4 iterations. iteration 4: trace = 6.330940591280346 (0.00653465% change) linmin: converged after 4 iterations. iteration 5: trace = 6.330763210202731 (0.00280185% change) linmin: converged after 5 iterations. iteration 6: trace = 6.330643969808116 (0.00188353% change) linmin: converged after 16 iterations. iteration 7: trace = 6.330526348142682 (0.00185799% change) linmin: converged after 17 iterations. iteration 8: trace = 6.330475545201162 (0.000802511% change) linmin: converged after 5 iterations. iteration 9: trace = 6.330456130107853 (0.000306693% change) linmin: converged after 4 iterations. iteration 10: trace = 6.330448155868348 (0.000125966% change) linmin: converged after 3 iterations. iteration 11: trace = 6.330444917505769 (5.11554e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 6.330441968361909 (4.65867e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.330438826387945 (4.96328e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 6.330433859958823 (7.84532e-05% change) large trace change predicted (0.000173114%) linmin: converged after 4 iterations. iteration 15: trace = 6.330422902016024 (0.0001731% change) linmin: converged after 4 iterations. iteration 16: trace = 6.330408494653135 (0.00022759% change) linmin: converged after 5 iterations. iteration 17: trace = 6.330393091584735 (0.000243319% change) linmin: converged after 5 iterations. iteration 18: trace = 6.330384367767492 (0.000137809% change) linmin: converged after 7 iterations. iteration 19: trace = 6.330379302030503 (8.00226e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 6.330373672659224 (8.89263e-05% change) large trace change predicted (0.000227718%) linmin: converged after 5 iterations. iteration 21: trace = 6.33035925724891 (0.000227718% change) large trace change predicted (0.000970824%) linmin: converged after 4 iterations. iteration 22: trace = 6.330298260639156 (0.000963561% change) large trace change predicted (0.00347969%) linmin: converged after 6 iterations. iteration 23: trace = 6.330100731410994 (0.00312043% change) linmin: converged after 4 iterations. iteration 24: trace = 6.329824561188028 (0.0043629% change) linmin: converged after 5 iterations. iteration 25: trace = 6.329581572606542 (0.00383886% change) linmin: converged after 5 iterations. iteration 26: trace = 6.329442198108147 (0.00220198% change) linmin: converged after 4 iterations. iteration 27: trace = 6.329368644701107 (0.00116209% change) linmin: converged after 4 iterations. iteration 28: trace = 6.329332395258531 (0.00057272% change) linmin: converged after 3 iterations. iteration 29: trace = 6.32932199067881 (0.000164387% change) linmin: converged after 3 iterations. iteration 30: trace = 6.329319097534167 (4.57102e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.329318299781549 (1.26041e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.329317993705504 (4.83585e-06% change) linmin: converged after 22 iterations. iteration 33: trace = 6.329317822762581 (2.70081e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 6.329317711511705 (1.75771e-06% change) linmin: converged after 2 iterations. iteration 35: trace = 6.329317634102344 (1.22303e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 6.329317560447074 (1.16372e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 6.329317473969666 (1.3663e-06% change) linmin: converged after 17 iterations. iteration 38: trace = 6.329317376070318 (1.54676e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.329317304082064 (1.13738e-06% change) linmin: converged after 2 iterations. iteration 40: trace = 6.329317262529589 (6.56508e-07% change) linmin: converged after 21 iterations. iteration 41: trace = 6.329317230455207 (5.06759e-07% change) linmin: converged after 8 iterations. iteration 42: trace = 6.329317195172118 (5.57455e-07% change) linmin: converged after 7 iterations. iteration 43: trace = 6.329317162831521 (5.10965e-07% change) linmin: converged after 9 iterations. iteration 44: trace = 6.329317144688077 (2.86657e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 6.329317134236727 (1.65126e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.32931712562798 (1.36014e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 6.329317115427865 (1.61157e-07% change) linmin: converged after 6 iterations. iteration 48: trace = 6.329317101087421 (2.26572e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 6.329317075124321 (4.10204e-07% change) large trace change predicted (8.61034e-07%) linmin: converged after 8 iterations. iteration 50: trace = 6.329317020625254 (8.61058e-07% change) large trace change predicted (2.13468e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.329316885504944 (2.13483e-06% change) large trace change predicted (4.29494e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.329316613618884 (4.29566e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 6.329316332917143 (4.43495e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.329316191094067 (2.24073e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.329316143739841 (7.48173e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 6.329316126937146 (2.65474e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 6.329316120029702 (1.09134e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.329316116866351 (4.99794e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.32931611541861 (2.28736e-08% change) linmin: converged after 4 iterations. iteration 60: trace = 6.3293161147542 (1.04973e-08% change) linmin: converged after 2 iterations. iteration 61: trace = 6.329316114257213 (7.85215e-09% change) linmin: converged after 12 iterations. iteration 62: trace = 6.329316113577727 (1.07355e-08% change) linmin: converged after 3 iterations. iteration 63: trace = 6.329316112502813 (1.69831e-08% change) linmin: converged after 6 iterations. iteration 64: trace = 6.329316111378638 (1.77614e-08% change) linmin: converged after 21 iterations. iteration 65: trace = 6.329316110808146 (9.01349e-09% change) linmin: converged after 9 iterations. iteration 66: trace = 6.32931611061163 (3.10486e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.329316110525236 (1.36498e-09% change) linmin: converged after 4 iterations. iteration 68: trace = 6.329316110484315 (6.46532e-10% change) linmin: converged after 4 iterations. iteration 69: trace = 6.329316110466078 (2.88135e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.32931611045862 (1.17819e-10% change) linmin: converged after 11 iterations. iteration 71: trace = 6.329316110451563 (1.11504e-10% change) linmin: converged after 6 iterations. iteration 72: trace = 6.329316110445914 (8.92484e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 elapsed time for k point: 0.23167753219604492 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.392697535565415 (0.520011% change) linmin: converged after 5 iterations. iteration 2: trace = 6.375242987596106 (0.273412% change) linmin: converged after 4 iterations. iteration 3: trace = 6.370715448082573 (0.0710427% change) linmin: converged after 4 iterations. iteration 4: trace = 6.368209752404007 (0.0393392% change) linmin: converged after 4 iterations. iteration 5: trace = 6.366423965129089 (0.0280462% change) linmin: converged after 4 iterations. iteration 6: trace = 6.365418549486456 (0.0157937% change) linmin: converged after 4 iterations. iteration 7: trace = 6.364762760708476 (0.0103029% change) linmin: converged after 6 iterations. iteration 8: trace = 6.364505250070454 (0.00404596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.36431449875261 (0.00299716% change) linmin: converged after 4 iterations. iteration 10: trace = 6.36418777225265 (0.00199122% change) linmin: converged after 5 iterations. iteration 11: trace = 6.364105952509211 (0.00128564% change) large trace change predicted (0.00305009%) linmin: converged after 10 iterations. iteration 12: trace = 6.363911985081294 (0.00304788% change) near maximum in trace linmin: converged after 8 iterations. iteration 13: trace = 6.361499503685843 (0.037916% change) linmin: converged after 7 iterations. iteration 14: trace = 6.36027135349748 (0.0193078% change) linmin: converged after 6 iterations. iteration 15: trace = 6.359373322047383 (0.0141204% change) linmin: converged after 4 iterations. iteration 16: trace = 6.35855732958079 (0.0128322% change) linmin: converged after 5 iterations. iteration 17: trace = 6.357758965533478 (0.0125565% change) linmin: converged after 4 iterations. iteration 18: trace = 6.356950351663157 (0.0127193% change) linmin: converged after 4 iterations. iteration 19: trace = 6.356112163121015 (0.0131863% change) linmin: converged after 4 iterations. iteration 20: trace = 6.355221027897733 (0.0140211% change) linmin: converged after 5 iterations. iteration 21: trace = 6.354246279692957 (0.0153389% change) linmin: converged after 7 iterations. iteration 22: trace = 6.353159856642265 (0.0170991% change) linmin: converged after 5 iterations. iteration 23: trace = 6.351960899259382 (0.0188736% change) linmin: converged after 6 iterations. iteration 24: trace = 6.350699438134904 (0.0198614% change) linmin: converged after 7 iterations. iteration 25: trace = 6.349458077477557 (0.0195487% change) linmin: converged after 5 iterations. iteration 26: trace = 6.348291605894328 (0.0183729% change) linmin: converged after 4 iterations. iteration 27: trace = 6.34719789341557 (0.0172299% change) linmin: converged after 4 iterations. iteration 28: trace = 6.346140664692705 (0.016658% change) linmin: converged after 4 iterations. iteration 29: trace = 6.345081444270764 (0.0166922% change) linmin: converged after 6 iterations. iteration 30: trace = 6.343999288666795 (0.0170565% change) linmin: converged after 8 iterations. iteration 31: trace = 6.342898002201816 (0.017361% change) linmin: converged after 5 iterations. iteration 32: trace = 6.341800697171118 (0.0173012% change) linmin: converged after 7 iterations. iteration 33: trace = 6.340734205414506 (0.0168183% change) linmin: converged after 5 iterations. iteration 34: trace = 6.33971368572808 (0.016096% change) linmin: converged after 5 iterations. iteration 35: trace = 6.338736988232581 (0.0154072% change) linmin: converged after 6 iterations. iteration 36: trace = 6.337788381038601 (0.0149664% change) linmin: converged after 6 iterations. iteration 37: trace = 6.336845738992868 (0.0148745% change) linmin: converged after 6 iterations. iteration 38: trace = 6.335887564106003 (0.0151218% change) linmin: converged after 5 iterations. iteration 39: trace = 6.334899803119841 (0.0155912% change) linmin: converged after 5 iterations. iteration 40: trace = 6.333883398871754 (0.0160458% change) linmin: converged after 7 iterations. iteration 41: trace = 6.332860786517116 (0.0161464% change) linmin: converged after 5 iterations. iteration 42: trace = 6.331873878864389 (0.0155851% change) linmin: converged after 5 iterations. iteration 43: trace = 6.330966881367777 (0.0143253% change) linmin: converged after 5 iterations. iteration 44: trace = 6.330164357925478 (0.012677% change) linmin: converged after 4 iterations. iteration 45: trace = 6.329464426416618 (0.0110577% change) linmin: converged after 4 iterations. iteration 46: trace = 6.328847888420542 (0.00974124% change) linmin: converged after 5 iterations. iteration 47: trace = 6.32828988372113 (0.00881723% change) linmin: converged after 4 iterations. iteration 48: trace = 6.327766921089158 (0.00826423% change) linmin: converged after 5 iterations. iteration 49: trace = 6.327259864958589 (0.00801351% change) linmin: converged after 4 iterations. iteration 50: trace = 6.326755103975183 (0.00797788% change) linmin: converged after 4 iterations. iteration 51: trace = 6.326245117196401 (0.00806112% change) linmin: converged after 6 iterations. iteration 52: trace = 6.325728461773253 (0.00816719% change) linmin: converged after 4 iterations. iteration 53: trace = 6.325208588756622 (0.00821873% change) linmin: converged after 4 iterations. iteration 54: trace = 6.324691250215436 (0.00817933% change) linmin: converged after 4 iterations. iteration 55: trace = 6.324181374306374 (0.008062% change) linmin: converged after 6 iterations. iteration 56: trace = 6.323680907360477 (0.00791386% change) linmin: converged after 4 iterations. iteration 57: trace = 6.323188395290025 (0.00778868% change) linmin: converged after 5 iterations. iteration 58: trace = 6.322699858896263 (0.00772641% change) linmin: converged after 4 iterations. iteration 59: trace = 6.322210009625386 (0.00774777% change) linmin: converged after 4 iterations. iteration 60: trace = 6.321713097538986 (0.00786009% change) linmin: converged after 4 iterations. iteration 61: trace = 6.321203130511794 (0.00806724% change) linmin: converged after 4 iterations. iteration 62: trace = 6.320673555720772 (0.0083781% change) linmin: converged after 5 iterations. iteration 63: trace = 6.320116720804852 (0.00881013% change) linmin: converged after 6 iterations. iteration 64: trace = 6.319523559448256 (0.00938573% change) linmin: converged after 5 iterations. iteration 65: trace = 6.318884020578164 (0.0101206% change) linmin: converged after 6 iterations. iteration 66: trace = 6.318188804775419 (0.0110028% change) linmin: converged after 7 iterations. iteration 67: trace = 6.317432799520505 (0.0119663% change) linmin: converged after 7 iterations. iteration 68: trace = 6.316619714792608 (0.0128713% change) linmin: converged after 5 iterations. iteration 69: trace = 6.315765584707393 (0.0135229% change) resetting CG direction... large trace change predicted (0.188897%) linmin: converged after 4 iterations. iteration 70: trace = 6.303775215283887 (0.190029% change) linmin: converged after 4 iterations. iteration 71: trace = 6.30036008266891 (0.0541907% change) linmin: converged after 4 iterations. iteration 72: trace = 6.299320271825109 (0.0165054% change) linmin: converged after 4 iterations. iteration 73: trace = 6.299061190191026 (0.00411294% change) linmin: converged after 5 iterations. iteration 74: trace = 6.298946775233155 (0.0018164% change) linmin: converged after 7 iterations. iteration 75: trace = 6.298877894192596 (0.00109354% change) linmin: converged after 6 iterations. iteration 76: trace = 6.298793454107139 (0.00134057% change) linmin: converged after 3 iterations. iteration 77: trace = 6.298725861962364 (0.0010731% change) linmin: converged after 5 iterations. iteration 78: trace = 6.29868294733083 (0.000681325% change) linmin: converged after 4 iterations. iteration 79: trace = 6.298642217591597 (0.000646641% change) linmin: converged after 13 iterations. iteration 80: trace = 6.298616556646929 (0.000407405% change) linmin: converged after 4 iterations. iteration 81: trace = 6.298604027893521 (0.000198913% change) linmin: converged after 3 iterations. iteration 82: trace = 6.298598787140605 (8.3205e-05% change) linmin: converged after 10 iterations. iteration 83: trace = 6.298597356051435 (2.27208e-05% change) linmin: converged after 2 iterations. iteration 84: trace = 6.298596365659966 (1.5724e-05% change) linmin: converged after 5 iterations. iteration 85: trace = 6.298595760213274 (9.61241e-06% change) linmin: converged after 7 iterations. iteration 86: trace = 6.298595315608592 (7.05879e-06% change) linmin: converged after 12 iterations. iteration 87: trace = 6.298595099404392 (3.43258e-06% change) linmin: converged after 13 iterations. iteration 88: trace = 6.298595020053137 (1.25982e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.298594974722617 (7.19693e-07% change) linmin: converged after 6 iterations. iteration 90: trace = 6.298594929358501 (7.20226e-07% change) linmin: converged after 13 iterations. iteration 91: trace = 6.298594895494825 (5.37639e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 6.298594877349233 (2.8809e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 6.298594868821886 (1.35385e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 6.298594864524706 (6.82244e-08% change) linmin: converged after 4 iterations. iteration 95: trace = 6.298594862453187 (3.28886e-08% change) linmin: converged after 4 iterations. iteration 96: trace = 6.298594861905778 (8.69096e-09% change) linmin: converged after 5 iterations. iteration 97: trace = 6.298594861732249 (2.75505e-09% change) linmin: converged after 3 iterations. iteration 98: trace = 6.298594861685728 (7.38593e-10% change) linmin: converged after 3 iterations. iteration 99: trace = 6.298594861667213 (2.93954e-10% change) linmin: converged after 4 iterations. iteration 100: trace = 6.298594861658028 (1.45821e-10% change) linmin: converged after 4 iterations. iteration 101: trace = 6.298594861654125 (6.19607e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 elapsed time for k point: 0.3243224620819092 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.3065639871607 (0.575322% change) linmin: converged after 5 iterations. iteration 2: trace = 6.289554233350304 (0.270079% change) linmin: converged after 3 iterations. iteration 3: trace = 6.285540394320863 (0.0638379% change) linmin: converged after 4 iterations. iteration 4: trace = 6.283792833049898 (0.0278067% change) linmin: converged after 4 iterations. iteration 5: trace = 6.282960247915502 (0.0132506% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282722744170227 (0.0037802% change) linmin: converged after 4 iterations. iteration 7: trace = 6.282637992351809 (0.00134898% change) linmin: converged after 3 iterations. iteration 8: trace = 6.282617671090315 (0.000323452% change) linmin: converged after 3 iterations. iteration 9: trace = 6.282612484408521 (8.25561e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 6.282610016564448 (3.92805e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.282609109449679 (1.44385e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.282608783832864 (5.18283e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.282608658505957 (1.99482e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 6.282608607802806 (8.0704e-07% change) linmin: converged after 10 iterations. iteration 15: trace = 6.282608579576478 (4.49277e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 6.282608566246182 (2.12178e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.282608558481405 (1.23592e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.282608555131906 (5.33138e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 6.282608553958246 (1.86811e-08% change) linmin: converged after 9 iterations. iteration 20: trace = 6.282608553518157 (7.00487e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 6.282608553300057 (3.47149e-09% change) linmin: converged after 10 iterations. iteration 22: trace = 6.282608553188997 (1.76774e-09% change) linmin: converged after 10 iterations. iteration 23: trace = 6.282608553137478 (8.20022e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 6.282608553118513 (3.01869e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 6.282608553113039 (8.71269e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 elapsed time for k point: 0.08209943771362305 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.31797506784811 (0.565733% change) linmin: converged after 4 iterations. iteration 2: trace = 6.302973191720346 (0.23773% change) linmin: converged after 4 iterations. iteration 3: trace = 6.299244438394495 (0.0591761% change) linmin: converged after 3 iterations. iteration 4: trace = 6.297766221419135 (0.0234693% change) linmin: converged after 4 iterations. iteration 5: trace = 6.297098741183586 (0.0105992% change) linmin: converged after 3 iterations. iteration 6: trace = 6.296927857601 (0.00271372% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296859980232965 (0.00107795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.296840480940125 (0.000309667% change) linmin: converged after 3 iterations. iteration 9: trace = 6.296835118565341 (8.51598e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.296832556246112 (4.06922e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 6.296831447029666 (1.76155e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.296831011555438 (6.91577e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 6.296830859588107 (2.41339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.296830816318607 (6.87163e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 6.296830799715155 (2.63679e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 6.296830794163726 (8.81623e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 6.296830791811519 (3.73554e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 6.296830790795286 (1.61388e-08% change) linmin: converged after 23 iterations. iteration 19: trace = 6.296830790487538 (4.88734e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 6.296830790381245 (1.68805e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 6.296830790332558 (7.73189e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 6.29683079030516 (4.35116e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 6.296830790293803 (1.80363e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 6.296830790289759 (6.42208e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 elapsed time for k point: 0.0786890983581543 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.373209112052805 (0.562684% change) linmin: converged after 10 iterations. iteration 2: trace = 6.36031616157883 (0.202504% change) linmin: converged after 4 iterations. iteration 3: trace = 6.357504912907773 (0.0442096% change) linmin: converged after 3 iterations. iteration 4: trace = 6.356585097729216 (0.0144692% change) linmin: converged after 3 iterations. iteration 5: trace = 6.35623283030905 (0.00554193% change) linmin: converged after 15 iterations. iteration 6: trace = 6.356142086163289 (0.00142765% change) linmin: converged after 3 iterations. iteration 7: trace = 6.356092254702443 (0.000783992% change) linmin: converged after 3 iterations. iteration 8: trace = 6.356067894803361 (0.000383253% change) linmin: converged after 3 iterations. iteration 9: trace = 6.356057959423483 (0.000156313% change) linmin: converged after 3 iterations. iteration 10: trace = 6.356053442445841 (7.10657e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.356051425803924 (3.17279e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.35605045638662 (1.52519e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 6.356050073440102 (6.02491e-06% change) linmin: converged after 21 iterations. iteration 14: trace = 6.356049967376739 (1.6687e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.356049919529158 (7.52788e-07% change) linmin: converged after 13 iterations. iteration 16: trace = 6.35604990138872 (2.85404e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 6.35604989273501 (1.36149e-07% change) linmin: converged after 6 iterations. iteration 18: trace = 6.356049887839807 (7.70164e-08% change) linmin: converged after 16 iterations. iteration 19: trace = 6.356049885346999 (3.92194e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.356049883857857 (2.34287e-08% change) linmin: converged after 5 iterations. iteration 21: trace = 6.356049883361589 (7.8078e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 6.356049883209118 (2.39883e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 6.356049883160938 (7.5802e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 6.356049883141617 (3.03971e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 6.356049883134011 (1.19671e-10% change) linmin: converged after 20 iterations. iteration 26: trace = 6.356049883130346 (5.76557e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 elapsed time for k point: 0.08529901504516602 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.484406768763917 (0.576704% change) linmin: converged after 5 iterations. iteration 2: trace = 6.471730173735265 (0.195685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.469268167064959 (0.0380497% change) linmin: converged after 4 iterations. iteration 4: trace = 6.468362479663552 (0.0140008% change) linmin: converged after 4 iterations. iteration 5: trace = 6.468081016952982 (0.00435147% change) linmin: converged after 4 iterations. iteration 6: trace = 6.468019507054105 (0.000950981% change) linmin: converged after 4 iterations. iteration 7: trace = 6.467983140882891 (0.000562247% change) linmin: converged after 6 iterations. iteration 8: trace = 6.467960050007157 (0.000357003% change) linmin: converged after 4 iterations. iteration 9: trace = 6.467927172636435 (0.000508313% change) linmin: converged after 13 iterations. iteration 10: trace = 6.467898270580527 (0.000446853% change) linmin: converged after 6 iterations. iteration 11: trace = 6.467871940836138 (0.000407084% change) linmin: converged after 5 iterations. iteration 12: trace = 6.467850751198391 (0.000327614% change) linmin: converged after 6 iterations. iteration 13: trace = 6.46783573451671 (0.000232174% change) linmin: converged after 5 iterations. iteration 14: trace = 6.467812737194985 (0.000355565% change) large trace change predicted (0.000926251%) linmin: converged after 3 iterations. iteration 15: trace = 6.467752878038727 (0.000925497% change) large trace change predicted (0.00336724%) linmin: converged after 6 iterations. iteration 16: trace = 6.46753799228928 (0.00332247% change) large trace change predicted (0.0076428%) linmin: converged after 6 iterations. iteration 17: trace = 6.467054240854877 (0.00747996% change) linmin: converged after 6 iterations. iteration 18: trace = 6.466680782267455 (0.00577495% change) linmin: converged after 4 iterations. iteration 19: trace = 6.466506550440609 (0.00269434% change) linmin: converged after 3 iterations. iteration 20: trace = 6.466437876282423 (0.001062% change) linmin: converged after 3 iterations. iteration 21: trace = 6.466417072559437 (0.000321719% change) linmin: converged after 3 iterations. iteration 22: trace = 6.466410918626344 (9.51676e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 6.466409279496674 (2.53484e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 6.466408508486158 (1.19233e-05% change) linmin: converged after 6 iterations. iteration 25: trace = 6.466407804621172 (1.08849e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 6.466407055854146 (1.15793e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466406660048698 (6.12095e-06% change) linmin: converged after 22 iterations. iteration 28: trace = 6.466406474881694 (2.86352e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 6.466406394954898 (1.23603e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.46640636439996 (4.72518e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 6.466406353483286 (1.68821e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466406348127093 (8.28311e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 6.466406341479104 (1.02808e-07% change) large trace change predicted (2.07292e-07%) linmin: converged after 2 iterations. iteration 34: trace = 6.466406328074751 (2.07292e-07% change) large trace change predicted (4.92859e-07%) linmin: converged after 3 iterations. iteration 35: trace = 6.466406296204647 (4.92857e-07% change) large trace change predicted (1.36404e-06%) linmin: converged after 5 iterations. iteration 36: trace = 6.466406207999212 (1.36406e-06% change) large trace change predicted (3.01548e-06%) linmin: converged after 5 iterations. iteration 37: trace = 6.46640601299846 (3.0156e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466405814967287 (3.06246e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.466405733805704 (1.25513e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 6.466405707718298 (4.0343e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 6.466405697281509 (1.614e-07% change) linmin: converged after 13 iterations. iteration 42: trace = 6.466405689115234 (1.26288e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 6.466405679855011 (1.43205e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.46640567344509 (9.91265e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 6.46640566942723 (6.21344e-08% change) linmin: converged after 2 iterations. iteration 46: trace = 6.466405667382235 (3.16249e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 6.466405666183872 (1.85321e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 6.466405665511933 (1.03912e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 6.466405664657936 (1.32067e-08% change) large trace change predicted (3.62453e-08%) linmin: converged after 19 iterations. iteration 50: trace = 6.46640566231416 (3.62454e-08% change) large trace change predicted (1.23507e-07%) linmin: converged after 2 iterations. iteration 51: trace = 6.466405654327716 (1.23507e-07% change) large trace change predicted (2.49094e-07%) linmin: converged after 2 iterations. iteration 52: trace = 6.466405638220102 (2.49097e-07% change) linmin: converged after 15 iterations. iteration 53: trace = 6.46640561690482 (3.29631e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 6.466405589348653 (4.26143e-07% change) linmin: converged after 17 iterations. iteration 55: trace = 6.466405565244271 (3.72763e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 6.466405553442849 (1.82504e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.466405548893452 (7.03543e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 6.466405546942659 (3.01681e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.466405546067048 (1.35409e-08% change) linmin: converged after 8 iterations. iteration 60: trace = 6.466405545765806 (4.65856e-09% change) linmin: converged after 5 iterations. iteration 61: trace = 6.466405545618406 (2.27948e-09% change) linmin: converged after 2 iterations. iteration 62: trace = 6.466405545535219 (1.28645e-09% change) linmin: converged after 6 iterations. iteration 63: trace = 6.466405545465581 (1.07691e-09% change) linmin: converged after 3 iterations. iteration 64: trace = 6.466405545408771 (8.78549e-10% change) linmin: converged after 6 iterations. iteration 65: trace = 6.466405545374389 (5.31692e-10% change) linmin: converged after 3 iterations. iteration 66: trace = 6.46640554535702 (2.68607e-10% change) linmin: converged after 3 iterations. iteration 67: trace = 6.466405545351025 (9.27131e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 .elapsed time for k point: 0.1795516014099121 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840947 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454924 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513126 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618369 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.8161730293674935 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140956 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.8385562359606974 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.922084942589803 at Vector3<0.0, 0.0, 0.0> Band 6 range: 1.0168656683915518 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418322 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 1.0184507253059405 at Vector3<0.0, 0.0, 0.0> to 1.159370227370717 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 1.1636719050364357 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.2433411839871045 at Vector3<0.0, 0.0, 0.0> Gap from band 3 (0.7880878930618369) to band 4 (0.8161730293674935), 3.501317761094284% Gap from band 5 (0.922084942589803) to band 6 (1.0168656683915518), 9.776497169649693% Gap from band 7 (1.159370227370717) to band 8 (1.1636719050364357), 0.37034865667815786% total elapsed time for run: 2.217390298843384 done /tmp/meepREy4kN/test_honey_rods-0: 3.36s /tmp/meepREy4kN/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 224 x 1. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (6.06218, -3.5, 0) (0, 0, 1) Cell volume = 6.06218 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.0824786, -0.142857, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 9 object nodes (vs. 8 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 6 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.10000000000000005, 0.3500000000000001, 0.0> Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Vector3<0.5000000000000002, 1.7500000000000004, 0.0> elapsed time for initialization: 0.012367010116577148 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12 Solving for bands 2 to 7... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 1.196766755531371 (199.611% change) linmin: converged after 9 iterations. iteration 2: trace = 0.3074317174581362 (118.247% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2844524853025028 (7.76477% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2812371807197147 (1.13677% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2805321379624338 (0.251008% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2804620372438204 (0.0249916% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2804497808436873 (0.00437017% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2804487080528694 (0.000382526% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2804485287729162 (6.39261e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2804485117540451 (6.06845e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2804485091314656 (9.35138e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.2804485089210546 (7.50266e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 0.2804485089016316 (6.92566e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 0.2804485088974183 (1.50234e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.280448508897056 (1.29213e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2804485088969927 (2.25648e-11% change) Finished solving for bands 2 to 7 after 16 iterations. Solving for bands 8 to 12... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.347589494002308 (197.909% change) linmin: converged after 8 iterations. iteration 2: trace = 1.508143754927554 (112.007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308852038496591 (14.1492% change) linmin: converged after 6 iterations. iteration 4: trace = 1.247987481329314 (4.76092% change) linmin: converged after 6 iterations. iteration 5: trace = 1.226166609693982 (1.76391% change) linmin: converged after 4 iterations. iteration 6: trace = 1.220205207652076 (0.487367% change) linmin: converged after 5 iterations. iteration 7: trace = 1.218622738880585 (0.129773% change) linmin: converged after 5 iterations. iteration 8: trace = 1.217964901842141 (0.0539966% change) linmin: converged after 4 iterations. iteration 9: trace = 1.217640474833321 (0.0266404% change) linmin: converged after 5 iterations. iteration 10: trace = 1.217144671073517 (0.0407267% change) large trace change predicted (0.10801%) linmin: converged after 6 iterations. iteration 11: trace = 1.215926777209398 (0.100112% change) linmin: converged after 5 iterations. iteration 12: trace = 1.21494306055586 (0.0809354% change) linmin: converged after 4 iterations. iteration 13: trace = 1.214347551188201 (0.0490274% change) linmin: converged after 4 iterations. iteration 14: trace = 1.213914363082433 (0.0356789% change) linmin: converged after 4 iterations. iteration 15: trace = 1.213500547607448 (0.0340952% change) linmin: converged after 4 iterations. iteration 16: trace = 1.212959722484555 (0.0445773% change) linmin: converged after 4 iterations. iteration 17: trace = 1.212519538880448 (0.0362966% change) linmin: converged after 4 iterations. iteration 18: trace = 1.212248726511907 (0.0223372% change) linmin: converged after 3 iterations. iteration 19: trace = 1.212140684769636 (0.0089129% change) linmin: converged after 3 iterations. iteration 20: trace = 1.21209965011612 (0.00338536% change) linmin: converged after 3 iterations. iteration 21: trace = 1.212045003915321 (0.00450849% change) linmin: converged after 4 iterations. iteration 22: trace = 1.211966020314501 (0.00651677% change) linmin: converged after 3 iterations. iteration 23: trace = 1.211907378935235 (0.00483865% change) linmin: converged after 3 iterations. iteration 24: trace = 1.211861221840146 (0.0038087% change) linmin: converged after 3 iterations. iteration 25: trace = 1.211829202049092 (0.00264223% change) linmin: converged after 3 iterations. iteration 26: trace = 1.21180954111795 (0.00162243% change) linmin: converged after 3 iterations. iteration 27: trace = 1.211778805378119 (0.00253638% change) linmin: converged after 3 iterations. iteration 28: trace = 1.211738643161125 (0.00331437% change) linmin: converged after 3 iterations. iteration 29: trace = 1.211698946648681 (0.00327605% change) linmin: converged after 3 iterations. iteration 30: trace = 1.211675291898183 (0.00195222% change) linmin: converged after 3 iterations. iteration 31: trace = 1.211662280999265 (0.0010738% change) linmin: converged after 3 iterations. iteration 32: trace = 1.211643382935975 (0.00155969% change) linmin: converged after 4 iterations. iteration 33: trace = 1.21162659993771 (0.00138515% change) linmin: converged after 6 iterations. iteration 34: trace = 1.21161407808561 (0.00103348% change) linmin: converged after 9 iterations. iteration 35: trace = 1.211602453572232 (0.000959428% change) linmin: converged after 3 iterations. iteration 36: trace = 1.211598303616196 (0.000342519% change) linmin: converged after 3 iterations. iteration 37: trace = 1.211596448980703 (0.000153074% change) linmin: converged after 4 iterations. iteration 38: trace = 1.211594613228861 (0.000151515% change) linmin: converged after 3 iterations. iteration 39: trace = 1.211592534410096 (0.000171577% change) linmin: converged after 4 iterations. iteration 40: trace = 1.211590947234652 (0.000130999% change) linmin: converged after 3 iterations. iteration 41: trace = 1.211590215638785 (6.03831e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 1.211589891729974 (2.67342e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 1.211589741312141 (1.24149e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 1.211589683153448 (4.8002e-06% change) linmin: converged after 2 iterations. iteration 45: trace = 1.211589639031559 (3.64165e-06% change) linmin: converged after 4 iterations. iteration 46: trace = 1.211589594611466 (3.66627e-06% change) linmin: converged after 2 iterations. iteration 47: trace = 1.211589568398538 (2.16352e-06% change) linmin: converged after 2 iterations. iteration 48: trace = 1.211589556366786 (9.93055e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 1.211589549124783 (5.97727e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.211589544167536 (4.09152e-07% change) linmin: converged after 2 iterations. iteration 51: trace = 1.211589539501808 (3.85091e-07% change) linmin: converged after 2 iterations. iteration 52: trace = 1.211589533344353 (5.08213e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 1.2115895245724 (7.24004e-07% change) linmin: converged after 2 iterations. iteration 54: trace = 1.211589518683372 (4.86058e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 1.211589515923037 (2.27828e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 1.211589512935396 (2.46589e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 1.211589509905531 (2.50074e-07% change) linmin: converged after 4 iterations. iteration 58: trace = 1.211589507242201 (2.19821e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 1.211589504813927 (2.00421e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 1.211589503458421 (1.11878e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 1.211589502828578 (5.19848e-08% change) linmin: converged after 24 iterations. iteration 62: trace = 1.211589502438186 (3.22214e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 1.211589502003778 (3.58544e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 1.211589501370286 (5.2286e-08% change) linmin: converged after 3 iterations. iteration 65: trace = 1.211589501031969 (2.79234e-08% change) linmin: converged after 2 iterations. iteration 66: trace = 1.211589500878294 (1.26838e-08% change) linmin: converged after 18 iterations. iteration 67: trace = 1.211589500792745 (7.06086e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.211589500767784 (2.06018e-09% change) linmin: converged after 3 iterations. iteration 69: trace = 1.211589500755964 (9.75586e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 1.211589500751477 (3.7031e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 1.211589500746379 (4.20745e-10% change) linmin: converged after 3 iterations. iteration 72: trace = 1.21158950073995 (5.3065e-10% change) linmin: converged after 4 iterations. iteration 73: trace = 1.211589500735595 (3.59424e-10% change) linmin: converged after 15 iterations. iteration 74: trace = 1.211589500732076 (2.90515e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 1.211589500730084 (1.64409e-10% change) linmin: converged after 11 iterations. iteration 76: trace = 1.211589500729295 (6.50599e-11% change) Finished solving for bands 8 to 12 after 76 iterations. Finished k-point with 39.6667 mean iterations/band. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123 elapsed time for k point: 2.037008047103882 Fixing e-field (band 1) phase by 1 + -0i; max ampl. = 0 Fixing e-field (band 2) phase by 0.934778 + -0.355231i; max ampl. = 0.36443 Fixing e-field (band 3) phase by 0.41377 + -0.910381i; max ampl. = 0.363694 Fixing e-field (band 4) phase by -0.042412 + 0.9991i; max ampl. = 0.40619 Fixing e-field (band 5) phase by -0.829535 + -0.558455i; max ampl. = 0.458526 Fixing e-field (band 6) phase by -0.636619 + -0.771179i; max ampl. = 0.461015 Fixing e-field (band 7) phase by -0.696974 + 0.717096i; max ampl. = 0.87849 Fixing e-field (band 8) phase by -0.801423 + 0.598098i; max ampl. = 0.582082 Fixing e-field (band 9) phase by 0.502154 + -0.864778i; max ampl. = 0.503748 Fixing e-field (band 10) phase by 0.833535 + -0.552467i; max ampl. = 0.514872 Fixing e-field (band 11) phase by 0.701379 + -0.712788i; max ampl. = 0.525048 Fixing e-field (band 12) phase by -0.711256 + 0.702933i; max ampl. = 0.596428 Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b01.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b02.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b03.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b04.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b05.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b06.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b07.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b08.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b09.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b10.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b11.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b12.z.tm.h5... solve_kpoint (0.1,0.35,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.1859754481091571 (4.37841% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1858559071650498 (0.0642985% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1858523719592242 (0.00190214% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1858522794619532 (4.97692e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1858522774470825 (1.08412e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1858522773945271 (2.8278e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1858522773930405 (7.99891e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1858522773929406 (5.37482e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.339583206387591 (1.2622% change) linmin: converged after 5 iterations. iteration 2: trace = 1.33063762646289 (0.670025% change) linmin: converged after 5 iterations. iteration 3: trace = 1.326359143522661 (0.322054% change) linmin: converged after 5 iterations. iteration 4: trace = 1.324059417054412 (0.173537% change) linmin: converged after 5 iterations. iteration 5: trace = 1.322335659994526 (0.130272% change) linmin: converged after 4 iterations. iteration 6: trace = 1.321900842351137 (0.032888% change) linmin: converged after 4 iterations. iteration 7: trace = 1.321789582191756 (0.00841703% change) linmin: converged after 4 iterations. iteration 8: trace = 1.321750554891683 (0.00295265% change) linmin: converged after 4 iterations. iteration 9: trace = 1.321739521847602 (0.000834733% change) linmin: converged after 7 iterations. iteration 10: trace = 1.321725729409737 (0.00104351% change) linmin: converged after 5 iterations. iteration 11: trace = 1.321717827626583 (0.00059784% change) linmin: converged after 5 iterations. iteration 12: trace = 1.32171560796717 (0.000167938% change) linmin: converged after 5 iterations. iteration 13: trace = 1.321714313062121 (9.79716e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.321713670509397 (4.86151e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.32171316783871 (3.80317e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.321712690347692 (3.61267e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.321712534925773 (1.17591e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.32171245068789 (6.37339e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 1.321712392022149 (4.43862e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 1.321712300288242 (6.94053e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.321712123338643 (1.33879e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.321712019292177 (7.8721e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 1.321711840507829 (1.35267e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.321711646564235 (1.46737e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.321711536307098 (8.342e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 1.32171148827869 (3.6338e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.321711471300697 (1.28455e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.321711467138154 (3.14936e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.321711466116505 (7.72975e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.321711465723412 (2.97412e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.321711465580959 (1.07779e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 1.321711465510915 (5.29947e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.321711465480889 (2.27175e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.321711465470897 (7.55973e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 1.321711465466495 (3.33089e-10% change) linmin: converged after 8 iterations. iteration 36: trace = 1.32171146546497 (1.15398e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.321711465463821 (8.68885e-11% change) Finished solving for bands 7 to 12 after 37 iterations. Finished k-point with 22.5 mean iterations/band. tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413 elapsed time for k point: 1.3620507717132568 Fixing e-field (band 1) phase by -1 + 2.71695e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.066234 + 0.997804i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08291e-07i; max ampl. = 0.357513 Fixing e-field (band 4) phase by -0.00791593 + -0.999969i; max ampl. = 0.410959 Fixing e-field (band 5) phase by -1 + 1.15887e-06i; max ampl. = 0.464942 Fixing e-field (band 6) phase by 0.000719579 + 1i; max ampl. = 0.463983 Fixing e-field (band 7) phase by 1 + 1.05398e-08i; max ampl. = 0.893105 Fixing e-field (band 8) phase by -1 + 4.80899e-06i; max ampl. = 0.585113 Fixing e-field (band 9) phase by 2.4463e-05 + -1i; max ampl. = 0.51118 Fixing e-field (band 10) phase by 1 + 8.06478e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03316e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314817 + -1i; max ampl. = 0.377816 Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b01.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b02.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b03.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b04.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b05.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b06.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b07.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b08.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b09.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b10.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b11.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.2388580307782937 (6.66113% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2385221713841857 (0.140709% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2385114100977178 (0.00451175% change) linmin: converged after 2 iterations. iteration 4: trace = 0.2385111473622856 (0.000110156% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2385111400807255 (3.05292e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2385111399219119 (6.65854e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2385111399179209 (1.6733e-09% change) linmin: converged after 16 iterations. iteration 8: trace = 0.2385111399178055 (4.83867e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.328636670014931 (1.75254% change) linmin: converged after 5 iterations. iteration 2: trace = 1.320923404607837 (0.58223% change) linmin: converged after 5 iterations. iteration 3: trace = 1.318308076151315 (0.198189% change) linmin: converged after 4 iterations. iteration 4: trace = 1.317956425802998 (0.0266779% change) linmin: converged after 4 iterations. iteration 5: trace = 1.317882727769513 (0.005592% change) linmin: converged after 5 iterations. iteration 6: trace = 1.317830321381881 (0.00397664% change) linmin: converged after 21 iterations. iteration 7: trace = 1.317816402663161 (0.00105619% change) linmin: converged after 6 iterations. iteration 8: trace = 1.317806033886662 (0.000786818% change) linmin: converged after 4 iterations. iteration 9: trace = 1.317799113944952 (0.000525112% change) linmin: converged after 5 iterations. iteration 10: trace = 1.317797254181904 (0.000141127% change) linmin: converged after 5 iterations. iteration 11: trace = 1.317796412532883 (6.38679e-05% change) linmin: converged after 11 iterations. iteration 12: trace = 1.317796108435783 (2.30762e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.317796055321211 (4.03056e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.317796024477034 (2.34059e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.317796013257453 (8.5139e-07% change) linmin: converged after 23 iterations. iteration 16: trace = 1.317796004201295 (6.8722e-07% change) large trace change predicted (1.71406e-06%) linmin: converged after 3 iterations. iteration 17: trace = 1.317795981613608 (1.71405e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.317795944624388 (2.8069e-06% change) large trace change predicted (6.37234e-06%) linmin: converged after 8 iterations. iteration 19: trace = 1.317795860651614 (6.37221e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.317795777380738 (6.31895e-06% change) linmin: converged after 32 iterations. iteration 21: trace = 1.317795748000609 (2.22949e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 1.317795733123444 (1.12894e-06% change) linmin: converged after 6 iterations. iteration 23: trace = 1.317795727441454 (4.31174e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.317795724798878 (2.0053e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.317795723846541 (7.22674e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.317795723608524 (1.80617e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.317795723503125 (7.99815e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.31779572343886 (4.87671e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.317795723419225 (1.48995e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 1.317795723411641 (5.75501e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.317795723409147 (1.89273e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.317795723408442 (5.35315e-11% change) Finished solving for bands 7 to 12 after 32 iterations. Finished k-point with 20 mean iterations/band. tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423 elapsed time for k point: 1.273317813873291 Fixing e-field (band 1) phase by 1 + -6.69684e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 1.41132e-11 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.03294e-14i; max ampl. = 0.3761 Fixing e-field (band 4) phase by -8.77229e-10 + -1i; max ampl. = 0.424925 Fixing e-field (band 5) phase by 1 + 1.3145e-13i; max ampl. = 0.480327 Fixing e-field (band 6) phase by 4.91261e-10 + -1i; max ampl. = 0.472091 Fixing e-field (band 7) phase by 1 + -1.06369e-12i; max ampl. = 0.919529 Fixing e-field (band 8) phase by -1 + -1.64856e-11i; max ampl. = 0.593898 Fixing e-field (band 9) phase by 1.07569e-07 + 1i; max ampl. = 0.521242 Fixing e-field (band 10) phase by -1 + 3.83354e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.75025e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.939e-06 + -1i; max ampl. = 0.473136 Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b01.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b02.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b03.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b04.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b05.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b06.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b07.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b08.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b09.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b10.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b11.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b12.z.tm.h5... solve_kpoint (0.3,1.05,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3105199359398265 (8.73919% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3098465068863809 (0.217107% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3098220243218767 (0.00790183% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3098213546274155 (0.000216155% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3098213374848054 (5.53306e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3098213371379585 (1.11951e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3098213371286766 (2.99587e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3098213371284358 (7.77246e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.321059189060651 (2.52198% change) linmin: converged after 5 iterations. iteration 2: trace = 1.312228993706477 (0.670659% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308669436105089 (0.271629% change) linmin: converged after 5 iterations. iteration 4: trace = 1.307528168194402 (0.0872463% change) linmin: converged after 4 iterations. iteration 5: trace = 1.307108376361817 (0.0321109% change) linmin: converged after 4 iterations. iteration 6: trace = 1.306967612816993 (0.0107697% change) linmin: converged after 4 iterations. iteration 7: trace = 1.30692104687625 (0.00356296% change) linmin: converged after 8 iterations. iteration 8: trace = 1.306903167954464 (0.00136803% change) linmin: converged after 4 iterations. iteration 9: trace = 1.306896582410012 (0.000503906% change) linmin: converged after 5 iterations. iteration 10: trace = 1.306894468922138 (0.000161718% change) linmin: converged after 5 iterations. iteration 11: trace = 1.306893729338946 (5.65909e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.306893106680217 (4.76442e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.306892656103195 (3.4477e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.306892370720252 (2.18368e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.306892063537916 (2.35048e-05% change) linmin: converged after 9 iterations. iteration 16: trace = 1.306891774918915 (2.20844e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.306891306571564 (3.58367e-05% change) large trace change predicted (0.0001439%) linmin: converged after 4 iterations. iteration 18: trace = 1.306889428974656 (0.000143669% change) large trace change predicted (0.000647089%) linmin: converged after 6 iterations. iteration 19: trace = 1.306881342171474 (0.000618784% change) near maximum in trace linmin: converged after 11 iterations. iteration 20: trace = 1.306841864904205 (0.00302077% change) linmin: converged after 6 iterations. iteration 21: trace = 1.306814317233515 (0.00210798% change) linmin: converged after 6 iterations. iteration 22: trace = 1.306780215571889 (0.00260956% change) linmin: converged after 9 iterations. iteration 23: trace = 1.306736702748669 (0.00332983% change) linmin: converged after 7 iterations. iteration 24: trace = 1.306707761476099 (0.0022148% change) linmin: converged after 6 iterations. iteration 25: trace = 1.306694949828091 (0.000980457% change) linmin: converged after 4 iterations. iteration 26: trace = 1.30668757171687 (0.000564641% change) linmin: converged after 5 iterations. iteration 27: trace = 1.306683169654682 (0.000336888% change) linmin: converged after 4 iterations. iteration 28: trace = 1.306680460975612 (0.000207294% change) linmin: converged after 4 iterations. iteration 29: trace = 1.306678613935068 (0.000141354% change) linmin: converged after 3 iterations. iteration 30: trace = 1.306677292065234 (0.000101163% change) linmin: converged after 6 iterations. iteration 31: trace = 1.306676263755384 (7.86966e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.306675403278145 (6.58524e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 1.306674672970374 (5.58905e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 1.306674108884319 (4.31696e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 1.306673737709854 (2.84061e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 1.306673513940721 (1.71251e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.306673362527367 (1.15877e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 1.306673228425955 (1.02628e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 1.306673109717042 (9.08482e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 1.306673026782846 (6.34697e-06% change) linmin: converged after 4 iterations. iteration 41: trace = 1.306672971288233 (4.24702e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.306672931203616 (3.06769e-06% change) linmin: converged after 9 iterations. iteration 43: trace = 1.306672900421495 (2.35576e-06% change) linmin: converged after 3 iterations. iteration 44: trace = 1.306672873955922 (2.02542e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 1.306672849955027 (1.83679e-06% change) linmin: converged after 2 iterations. iteration 46: trace = 1.306672828035896 (1.67748e-06% change) linmin: converged after 21 iterations. iteration 47: trace = 1.306672808497717 (1.49526e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 1.306672792920187 (1.19215e-06% change) linmin: converged after 2 iterations. iteration 49: trace = 1.30667278073184 (9.32777e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.306672769623505 (8.50124e-07% change) linmin: converged after 5 iterations. iteration 51: trace = 1.30667275827252 (8.68694e-07% change) linmin: converged after 8 iterations. iteration 52: trace = 1.306672746664947 (8.88331e-07% change) linmin: converged after 7 iterations. iteration 53: trace = 1.306672734231314 (9.51549e-07% change) linmin: converged after 6 iterations. iteration 54: trace = 1.306672719747275 (1.10847e-06% change) linmin: converged after 8 iterations. iteration 55: trace = 1.306672703451232 (1.24714e-06% change) linmin: converged after 2 iterations. iteration 56: trace = 1.306672685743829 (1.35515e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 1.306672664172661 (1.65085e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 1.306672633622723 (2.33799e-06% change) linmin: converged after 13 iterations. iteration 59: trace = 1.306672591449286 (3.22754e-06% change) linmin: converged after 15 iterations. iteration 60: trace = 1.306672545946202 (3.48236e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 1.306672503494355 (3.24885e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 1.306672460331878 (3.30324e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 1.306672416045949 (3.38921e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 1.306672371448651 (3.41304e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 1.306672322019688 (3.78281e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 1.306672266767598 (4.22846e-06% change) linmin: converged after 3 iterations. iteration 67: trace = 1.306672213731368 (4.05888e-06% change) linmin: converged after 9 iterations. iteration 68: trace = 1.306672169731838 (3.3673e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.306672130569276 (2.99712e-06% change) resetting CG direction... large trace change predicted (6.25477e-06%) linmin: converged after 5 iterations. iteration 70: trace = 1.306672048840626 (6.25472e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.306672012693929 (2.76632e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 1.306672000098197 (9.63955e-07% change) linmin: converged after 2 iterations. iteration 73: trace = 1.306671995811054 (3.28096e-07% change) linmin: converged after 2 iterations. iteration 74: trace = 1.306671993004206 (2.14809e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 1.306671990402459 (1.99112e-07% change) linmin: converged after 2 iterations. iteration 76: trace = 1.306671989145292 (9.62114e-08% change) linmin: converged after 3 iterations. iteration 77: trace = 1.306671988469853 (5.16916e-08% change) linmin: converged after 2 iterations. iteration 78: trace = 1.306671987976323 (3.777e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 1.306671987242599 (5.61521e-08% change) large trace change predicted (1.12943e-07%) linmin: converged after 3 iterations. iteration 80: trace = 1.306671985766801 (1.12943e-07% change) large trace change predicted (2.49995e-07%) linmin: converged after 3 iterations. iteration 81: trace = 1.306671982500196 (2.49994e-07% change) large trace change predicted (5.4192e-07%) linmin: converged after 13 iterations. iteration 82: trace = 1.306671975419139 (5.41915e-07% change) linmin: converged after 3 iterations. iteration 83: trace = 1.306671966776745 (6.61405e-07% change) linmin: converged after 24 iterations. iteration 84: trace = 1.306671961713351 (3.87503e-07% change) linmin: converged after 8 iterations. iteration 85: trace = 1.306671959299024 (1.84769e-07% change) linmin: converged after 3 iterations. iteration 86: trace = 1.306671956817022 (1.89948e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 1.30667195512776 (1.2928e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 1.306671954377645 (5.74065e-08% change) linmin: converged after 11 iterations. iteration 89: trace = 1.306671954035937 (2.6151e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 1.306671953899616 (1.04327e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.306671953836784 (4.80857e-09% change) linmin: converged after 2 iterations. iteration 92: trace = 1.306671953798474 (2.93184e-09% change) linmin: converged after 2 iterations. iteration 93: trace = 1.306671953790935 (5.76951e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 1.306671953788971 (1.50355e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 1.306671953788115 (6.55086e-11% change) Finished solving for bands 7 to 12 after 95 iterations. Finished k-point with 51.5 mean iterations/band. tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567 elapsed time for k point: 3.179008722305298 Fixing e-field (band 1) phase by 1 + -8.43945e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -7.36728e-12 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -1.0166e-15i; max ampl. = 0.420136 Fixing e-field (band 4) phase by 7.50961e-12 + 1i; max ampl. = 0.446788 Fixing e-field (band 5) phase by 1 + 2.94128e-15i; max ampl. = 0.496332 Fixing e-field (band 6) phase by -9.24666e-12 + 1i; max ampl. = 0.481878 Fixing e-field (band 7) phase by 1 + 2.60727e-13i; max ampl. = 0.896831 Fixing e-field (band 8) phase by 1.09737e-10 + -1i; max ampl. = 0.458802 Fixing e-field (band 9) phase by -1 + -1.96696e-11i; max ampl. = 0.495105 Fixing e-field (band 10) phase by 1 + -2.47558e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -9.51712e-12 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -7.63476e-11i; max ampl. = 0.423458 Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b01.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b02.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b03.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b04.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b05.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b06.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b07.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b08.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b09.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b10.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b11.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.3762985016867429 (10.9545% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3750342117371676 (0.336546% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3749816076769493 (0.0140275% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3749802749522109 (0.000355411% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3749802409984997 (9.0548e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3749802404009222 (1.59362e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.374980240382886 (4.8099e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3749802403822894 (1.59096e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3749802403822776 (3.1532e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.298011037461321 (3.05087% change) linmin: converged after 5 iterations. iteration 2: trace = 1.290256309342349 (0.599222% change) linmin: converged after 5 iterations. iteration 3: trace = 1.288297984129212 (0.151893% change) linmin: converged after 4 iterations. iteration 4: trace = 1.2878772301764 (0.032665% change) linmin: converged after 4 iterations. iteration 5: trace = 1.287688339079885 (0.0146679% change) linmin: converged after 4 iterations. iteration 6: trace = 1.287483849723766 (0.0158816% change) large trace change predicted (0.0565887%) linmin: converged after 7 iterations. iteration 7: trace = 1.28685287243285 (0.0490206% change) large trace change predicted (1.10957%) linmin: converged after 8 iterations. iteration 8: trace = 1.285207985881854 (0.127904% change) linmin: converged after 5 iterations. iteration 9: trace = 1.283531768705405 (0.130509% change) linmin: converged after 9 iterations. iteration 10: trace = 1.280537500864398 (0.233556% change) linmin: converged after 8 iterations. iteration 11: trace = 1.277572726481115 (0.231794% change) linmin: converged after 7 iterations. iteration 12: trace = 1.27563734746484 (0.151604% change) linmin: converged after 7 iterations. iteration 13: trace = 1.274202245367086 (0.112564% change) linmin: converged after 7 iterations. iteration 14: trace = 1.273022593346836 (0.0926225% change) linmin: converged after 8 iterations. iteration 15: trace = 1.272080215540049 (0.0740542% change) linmin: converged after 5 iterations. iteration 16: trace = 1.271347536034896 (0.0576135% change) linmin: converged after 7 iterations. iteration 17: trace = 1.270883530901358 (0.0365038% change) linmin: converged after 4 iterations. iteration 18: trace = 1.270618409224059 (0.0208634% change) linmin: converged after 4 iterations. iteration 19: trace = 1.270378371119911 (0.0188932% change) linmin: converged after 6 iterations. iteration 20: trace = 1.270104933606682 (0.0215264% change) linmin: converged after 6 iterations. iteration 21: trace = 1.269895617099838 (0.0164816% change) linmin: converged after 5 iterations. iteration 22: trace = 1.269782882629827 (0.00887785% change) linmin: converged after 3 iterations. iteration 23: trace = 1.269719750601914 (0.004972% change) linmin: converged after 6 iterations. iteration 24: trace = 1.269676766106199 (0.00338541% change) linmin: converged after 7 iterations. iteration 25: trace = 1.269642283512467 (0.00271589% change) linmin: converged after 5 iterations. iteration 26: trace = 1.269619087274533 (0.00182701% change) linmin: converged after 4 iterations. iteration 27: trace = 1.269607472587991 (0.000914821% change) linmin: converged after 8 iterations. iteration 28: trace = 1.269600759456913 (0.000528758% change) linmin: converged after 5 iterations. iteration 29: trace = 1.269595125006646 (0.000443798% change) linmin: converged after 9 iterations. iteration 30: trace = 1.269590376565027 (0.000374013% change) linmin: converged after 5 iterations. iteration 31: trace = 1.269587297957729 (0.000242489% change) linmin: converged after 6 iterations. iteration 32: trace = 1.269585545816303 (0.000138009% change) linmin: converged after 5 iterations. iteration 33: trace = 1.269584427090121 (8.81175e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.269583608532466 (6.44745e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 1.269583043842748 (4.44784e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 1.269582710117841 (2.62862e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.269582517553401 (1.51675e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.269582385116398 (1.04315e-05% change) linmin: converged after 11 iterations. iteration 39: trace = 1.269582283098437 (8.03555e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 1.269582214888568 (5.37262e-06% change) linmin: converged after 3 iterations. iteration 41: trace = 1.269582174660363 (3.16862e-06% change) linmin: converged after 12 iterations. iteration 42: trace = 1.269582148208323 (2.08352e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 1.269582127622132 (1.62149e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 1.269582111947448 (1.23463e-06% change) linmin: converged after 2 iterations. iteration 45: trace = 1.269582102245771 (7.64163e-07% change) linmin: converged after 4 iterations. iteration 46: trace = 1.26958209678698 (4.29968e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 1.269582093349534 (2.70754e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 1.269582091147356 (1.73457e-07% change) linmin: converged after 20 iterations. iteration 49: trace = 1.269582089806961 (1.05578e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.269582088919776 (6.98801e-08% change) linmin: converged after 6 iterations. iteration 51: trace = 1.269582088275121 (5.07769e-08% change) linmin: converged after 3 iterations. iteration 52: trace = 1.269582087760951 (4.04992e-08% change) linmin: converged after 12 iterations. iteration 53: trace = 1.269582087362723 (3.13669e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 1.269582087136648 (1.78071e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 1.269582087016091 (9.49576e-09% change) linmin: converged after 9 iterations. iteration 56: trace = 1.269582086921614 (7.44162e-09% change) linmin: converged after 9 iterations. iteration 57: trace = 1.269582086848892 (5.72801e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 1.269582086810662 (3.01122e-09% change) linmin: converged after 6 iterations. iteration 59: trace = 1.269582086792638 (1.4197e-09% change) linmin: converged after 3 iterations. iteration 60: trace = 1.269582086781325 (8.91094e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 1.269582086771858 (7.45616e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 1.269582086763084 (6.91153e-10% change) linmin: converged after 4 iterations. iteration 63: trace = 1.269582086756867 (4.89638e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 1.269582086753405 (2.72733e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 1.269582086751192 (1.74266e-10% change) linmin: converged after 9 iterations. iteration 66: trace = 1.269582086749747 (1.13857e-10% change) linmin: converged after 4 iterations. iteration 67: trace = 1.269582086748959 (6.2053e-11% change) Finished solving for bands 7 to 12 after 67 iterations. Finished k-point with 38 mean iterations/band. tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447 elapsed time for k point: 2.30314564704895 Fixing e-field (band 1) phase by 1 + -1.73164e-16i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -3.3667e-12 + -1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by 1 + 2.01153e-15i; max ampl. = 0.464954 Fixing e-field (band 4) phase by 4.86528e-12 + 1i; max ampl. = 0.46974 Fixing e-field (band 5) phase by 1 + 6.49208e-15i; max ampl. = 0.505749 Fixing e-field (band 6) phase by -1.59948e-11 + 1i; max ampl. = 0.483913 Fixing e-field (band 7) phase by 1 + 3.73227e-14i; max ampl. = 0.643734 Fixing e-field (band 8) phase by 4.02684e-12 + 1i; max ampl. = 0.465166 Fixing e-field (band 9) phase by -1 + 6.87358e-14i; max ampl. = 0.43823 Fixing e-field (band 10) phase by 1.98569e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + -3.00146e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by 1.05977e-13 + -1i; max ampl. = 0.443866 Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b01.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b02.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b03.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b04.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b05.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b06.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b07.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b08.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b09.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b10.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b11.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b12.z.tm.h5... solve_kpoint (0.5,1.75,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.4044979732169223 (13.7656% change) linmin: converged after 4 iterations. iteration 2: trace = 0.4025034611955529 (0.494302% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4024212890120757 (0.0204174% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4024194033576305 (0.000468578% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4024193544035438 (1.21649e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4024193537759778 (1.55948e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4024193537536845 (5.5398e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4024193537529454 (1.83672e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4024193537529305 (3.71068e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.246579896079849 (3.2355% change) linmin: converged after 5 iterations. iteration 2: trace = 1.241420423793717 (0.414749% change) linmin: converged after 5 iterations. iteration 3: trace = 1.240323895101215 (0.0883676% change) linmin: converged after 4 iterations. iteration 4: trace = 1.240074667273184 (0.0200958% change) linmin: converged after 4 iterations. iteration 5: trace = 1.24004995523007 (0.00199281% change) linmin: converged after 4 iterations. iteration 6: trace = 1.240046276550807 (0.000296656% change) linmin: converged after 13 iterations. iteration 7: trace = 1.240045445498693 (6.70179e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 1.240045287286182 (1.27586e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.240045263300231 (1.93428e-06% change) linmin: converged after 29 iterations. iteration 10: trace = 1.240045258080157 (4.20958e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 1.240045257186147 (7.2095e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 1.240045257084782 (8.17431e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 1.2400452570647 (1.61945e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 1.240045257061235 (2.7939e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 1.24004525706096 (2.21857e-11% change) Finished solving for bands 7 to 12 after 15 iterations. Finished k-point with 12 mean iterations/band. tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569 elapsed time for k point: 0.712446928024292 Fixing e-field (band 1) phase by 1 + -2.00047e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.32784e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by 1 + -1.40064e-17i; max ampl. = 0.462198 Fixing e-field (band 4) phase by -2.01924e-11 + -1i; max ampl. = 0.471227 Fixing e-field (band 5) phase by 1 + -5.35018e-15i; max ampl. = 0.472309 Fixing e-field (band 6) phase by 2.80754e-11 + 1i; max ampl. = 0.476607 Fixing e-field (band 7) phase by 1 + 9.0298e-16i; max ampl. = 0.600013 Fixing e-field (band 8) phase by 1.76087e-12 + -1i; max ampl. = 0.468917 Fixing e-field (band 9) phase by 1 + 1.7165e-16i; max ampl. = 0.508553 Fixing e-field (band 10) phase by -5.29416e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + -1.64417e-14i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 3.04706e-13 + 1i; max ampl. = 0.465525 ..Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b01.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b02.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b03.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b04.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b05.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b06.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b07.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b08.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b09.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b10.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b11.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2563501053544447 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542215 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278226 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616924004 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 4 range: 0.19143758098896266 at Vector3<0.0, 0.0, 0.0> to 0.25957071278987937 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 5 range: 0.20907741437429694 at Vector3<0.0, 0.0, 0.0> to 0.26470695742810507 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 6 range: 0.25276899480758896 at Vector3<0.0, 0.0, 0.0> to 0.27082126366760045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 7 range: 0.33733710311255866 at Vector3<0.0, 0.0, 0.0> to 0.442497664916943 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 8 range: 0.4482627765538221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4683903271760484 at Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Band 9 range: 0.4514954029529221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.47131948362277304 at Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Band 10 range: 0.45640253677801607 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49648508869253005 at Vector3<0.0, 0.0, 0.0> Band 11 range: 0.46290665804314135 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49948776938324185 at Vector3<0.0, 0.0, 0.0> Band 12 range: 0.4656904639721246 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661458 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.33733710311255866), 21.8745126527225% Gap from band 7 (0.442497664916943) to band 8 (0.4482627765538221), 1.2944247113983016% total elapsed time for run: 11.106508731842041 done /tmp/meepREy4kN/test_line_defect-0: 11.11s /tmp/meepREy4kN/test_list_split-0 ======================== /tmp/meepREy4kN/test_list_split-0: 0.00s /tmp/meepREy4kN/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001378774642944336 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13854646682739258 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.38701510429382324 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08516550064086914 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07859563827514648 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09092950820922852 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1416785717010498 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10733532905578613 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09091782569885254 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0784916877746582 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07512259483337402 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07520580291748047 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05935335159301758 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06915068626403809 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09500670433044434 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11126303672790527 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24773001670837402 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9340400695800781 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014221668243408203 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1398935317993164 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3904457092285156 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08611154556274414 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07909512519836426 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.0919487476348877 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14281010627746582 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10796666145324707 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09171557426452637 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07906675338745117 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0758206844329834 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07544684410095215 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.0599365234375 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06948089599609375 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09500765800476074 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11142826080322266 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.2468400001525879 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9455921649932861 done /tmp/meepREy4kN/test_load_and_save_eigenvectors-0: 3.88s /tmp/meepREy4kN/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.252786, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009672641754150391 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4898474331528383 (198.799% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2634327276606197 (60.1143% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2256354401058421 (15.4569% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2118795772470987 (6.28818% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2093240519911654 (1.21344% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2091127254372625 (0.101008% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2090852588528238 (0.0131357% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2090837640052219 (0.000714949% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2090835745606499 (9.06071e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.209083529405388 (2.15968e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2090835264202496 (1.42773e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2090835262060447 (1.02449e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2090835261751921 (1.47561e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2090835261708315 (2.08559e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2090835261706046 (1.08522e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2090835261705098 (4.53204e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.004388093948364258 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2098651202886062 (4.6103% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2077435553715469 (1.01605% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2065876445984869 (0.557965% change) large trace change predicted (1.26308%) linmin: converged after 5 iterations. iteration 4: trace = 0.2036945327837802 (1.4103% change) linmin: converged after 7 iterations. iteration 5: trace = 0.2020820274046518 (0.794775% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2017151357863381 (0.181721% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2016398542630094 (0.0373277% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2015598361330475 (0.0396916% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2014449638068836 (0.0570079% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2014122707810966 (0.0162306% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2014087537596145 (0.0017462% change) linmin: converged after 15 iterations. iteration 12: trace = 0.2014078549180843 (0.000446278% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2014061973776658 (0.00082298% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2014048838687256 (0.000652171% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2014047218138699 (8.04623e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2014047010268015 (1.0321e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 0.2014046853812204 (7.76823e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 0.201404660765346 (1.22221e-05% change) linmin: converged after 11 iterations. iteration 19: trace = 0.2014046519845329 (4.35979e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2014046509574838 (5.09943e-07% change) linmin: converged after 7 iterations. iteration 21: trace = 0.2014046507829159 (8.66752e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.2014046504702771 (1.55229e-07% change) linmin: converged after 21 iterations. iteration 23: trace = 0.201404650217115 (1.25698e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 0.2014046501748755 (2.09725e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 0.2014046501695867 (2.62594e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.2014046501671034 (1.23299e-09% change) large trace change predicted (2.54495e-09%) linmin: converged after 11 iterations. iteration 27: trace = 0.2014046501619765 (2.54556e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 0.201404650160167 (8.98439e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2014046501599492 (1.08167e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 0.201404650159914 (1.74605e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 elapsed time for k point: 0.01603984832763672 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1886993853589348 (5.81613% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1879329654030555 (0.406986% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1879019987162396 (0.0164789% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1879007700599346 (0.000653884% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1879007324411779 (2.00205e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.187900730110987 (1.24012e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1879007300208395 (4.79761e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1879007300173998 (1.83059e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1879007300173185 (4.32802e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 elapsed time for k point: 0.005142688751220703 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.177090620447409 (5.09773% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1768676334153295 (0.125996% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1768576072264843 (0.00566891% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1768571937062109 (0.000233816% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1768571846110659 (5.14265e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.17685718426356 (1.9649e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1768571842571168 (3.64315e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.176857184256887 (1.29897e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1768571842568802 (3.84498e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 elapsed time for k point: 0.005079746246337891 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1703028333697424 (5.07332% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1701701834280546 (0.077921% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1701632888796343 (0.00405164% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1701630475985811 (0.000141794% change) linmin: converged after 2 iterations. iteration 5: trace = 0.170163043820658 (2.22018e-06% change) linmin: converged after 26 iterations. iteration 6: trace = 0.1701630436796942 (8.28404e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1701630436771921 (1.47042e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.1701630436771221 (4.11041e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 elapsed time for k point: 0.0045928955078125 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1680722256068113 (5.13139% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1679599575333087 (0.0668198% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1679544178043843 (0.0032983% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1679542046758051 (0.000126897% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1679542018800741 (1.66458e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1679542017770075 (6.13659e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1679542017749324 (1.23554e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.167954201774869 (3.77281e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 elapsed time for k point: 0.004571437835693359 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. iteration 1: trace = 0.1727907851940615 (0.90973% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1727441194082773 (0.0270108% change) linmin: converged after 5 iterations. iteration 3: trace = 0.172742290671633 (0.00105864% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1727422490693743 (2.40834e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1727422479861119 (6.27098e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1727422479682355 (1.03486e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1727422479677768 (2.65501e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1727422479677606 (9.39956e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 elapsed time for k point: 0.00466465950012207 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1860989381524436 (1.56232% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1859976762889476 (0.0544277% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1859938669738662 (0.00204807% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1859937714047326 (5.1383e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1859937688937456 (1.35004e-06% change) linmin: converged after 20 iterations. iteration 6: trace = 0.1859937688390201 (2.94233e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1859937688378915 (6.06808e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1859937688378515 (2.15337e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 elapsed time for k point: 0.004602670669555664 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.204398857278778 (2.75517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2041523986067431 (0.12065% change) linmin: converged after 2 iterations. iteration 3: trace = 0.2041422878985797 (0.00495265% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2041420493962594 (0.000116831% change) linmin: converged after 2 iterations. iteration 5: trace = 0.204142041499828 (3.86811e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2041420413330259 (8.17088e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.204142041329127 (1.90987e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2041420413289723 (7.57989e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 elapsed time for k point: 0.004552125930786133 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2213300955570094 (4.3094% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2207839638738396 (0.247055% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2207589339831465 (0.0113375% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2207583808306992 (0.000250569% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2207583584069987 (1.01576e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.220758357912076 (2.24192e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2207583578975028 (6.60144e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2207583578967375 (3.46633e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2207583578967242 (6.03496e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 elapsed time for k point: 0.005081892013549805 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2286358930851747 (5.87517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2277546866636135 (0.386163% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2277132378226158 (0.0182006% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2277123246168996 (0.000401034% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2277122854063269 (1.72193e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2277122844171639 (4.34392e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2277122843860133 (1.36798e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2277122843842668 (7.66961e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2277122843842428 (1.05556e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 elapsed time for k point: 0.005123138427734375 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2240217978987306 (8.03377% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2227325966086012 (0.577141% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2221794028707296 (0.248676% change) large trace change predicted (1.12179%) linmin: converged after 6 iterations. iteration 4: trace = 0.2201021533223285 (0.939334% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2194887472932667 (0.27908% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2194646258573113 (0.0109904% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2194635570027366 (0.000487029% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2194633146452799 (0.000110432% change) large trace change predicted (0.00027517%) linmin: converged after 6 iterations. iteration 9: trace = 0.2194627106479067 (0.000275216% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2194625034252833 (9.44227e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2194624959688223 (3.3976e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2194624957143563 (1.1595e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2194624956685689 (2.08635e-08% change) large trace change predicted (5.35737e-08%) linmin: converged after 2 iterations. iteration 14: trace = 0.2194624955509947 (5.35737e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.2194624955026465 (2.20302e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 0.2194624955005199 (9.69019e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 0.2194624955004418 (3.56141e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 elapsed time for k point: 0.009250164031982422 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2048270491097952 (7.89384% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2042255888086185 (0.294075% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2042030572713608 (0.0110333% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2042021613101474 (0.000438761% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2042021401646438 (1.03552e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2042021396348914 (2.59426e-07% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2042021396248773 (4.90403e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2042021396245604 (1.55196e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2042021396245495 (5.31455e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 elapsed time for k point: 0.005097150802612305 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1961694955193463 (6.14128% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1959410036458176 (0.116545% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1959317156392236 (0.00474032% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1959313940592608 (0.000164129% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1959313856969012 (4.268e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1959313854375356 (1.32376e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.195931385431126 (3.27138e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1959313854307266 (2.03834e-10% change) linmin: converged after 7 iterations. iteration 9: trace = 0.1959313854307188 (4.00897e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 elapsed time for k point: 0.0050983428955078125 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2014853855724111 (5.75945% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2008264904582411 (0.327554% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2007788953842623 (0.0237024% change) linmin: converged after 4 iterations. iteration 4: trace = 0.200774994456563 (0.00194292% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2007748543968735 (6.97596e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2007748486133257 (2.88061e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2007748484344859 (8.90748e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2007748484304172 (2.02647e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2007748484302034 (1.06516e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2007748484301817 (1.08105e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 elapsed time for k point: 0.005632877349853516 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2122718724222841 (4.82659% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2094216112500319 (1.35182% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2091030511365138 (0.15223% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2090846371542949 (0.00880656% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2090836304333473 (0.000481491% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2090835247433784 (5.05491e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2090835130860209 (5.57545e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.20908351233741 (3.58044e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2090835122673797 (3.34939e-08% change) linmin: converged after 12 iterations. iteration 10: trace = 0.2090835122583799 (4.3044e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 0.209083512257221 (5.54292e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2090835122571488 (3.45147e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.003274679183959961 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992222 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.35120083530511803 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897039 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992222) to band 2 (0.35120083530511803), 34.044042557162825% total elapsed time for run: 0.09386730194091797 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.347214, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0012097358703613281 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4343181010737095 (198.885% change) linmin: converged after 12 iterations. iteration 2: trace = 0.1466798479702049 (99.0152% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1367387884266781 (7.01511% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1336076174223981 (2.31641% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1327039030623742 (0.67869% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326703124348133 (0.0253157% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1326539772352652 (0.0123134% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1326531685227361 (0.000609642% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1326529640371999 (0.000154151% change) linmin: converged after 3 iterations. iteration 10: trace = 0.1326529337762072 (2.28122e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.1326529311517259 (1.97846e-06% change) linmin: converged after 18 iterations. iteration 12: trace = 0.1326529297895758 (1.02685e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.1326529296923191 (7.33166e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.1326529296662335 (1.96646e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1326529296624067 (2.8848e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1326529296621591 (1.86637e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1326529296620271 (9.95329e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 elapsed time for k point: 0.004603385925292969 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.1330276952346082 (5.99259% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1318813366874199 (0.865473% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1308680471843932 (0.771297% change) large trace change predicted (1.92882%) linmin: converged after 5 iterations. iteration 4: trace = 0.128304306929748 (1.97841% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1276263878962662 (0.529768% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1275322440298945 (0.0737924% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1275021778548772 (0.0235781% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1274414865517367 (0.0476115% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1274120300325395 (0.0231164% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1274093849400094 (0.00207604% change) linmin: converged after 5 iterations. iteration 11: trace = 0.1274090082736754 (0.000295635% change) linmin: converged after 13 iterations. iteration 12: trace = 0.1274085198427984 (0.000383357% change) linmin: converged after 4 iterations. iteration 13: trace = 0.1274080628429791 (0.000358689% change) linmin: converged after 5 iterations. iteration 14: trace = 0.1274079792683117 (6.55961e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 0.1274079726496398 (5.19486e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 0.1274079698067216 (2.23135e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 0.1274079642222976 (4.3831e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 0.1274079624506347 (1.39054e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.1274079623179862 (1.04113e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 0.1274079622924786 (2.00204e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 0.1274079622440727 (3.79928e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.1274079622155672 (2.23734e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 0.1274079622132353 (1.83032e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 0.1274079622129696 (2.08546e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 0.1274079622125829 (3.03528e-10% change) linmin: converged after 20 iterations. iteration 26: trace = 0.1274079622122151 (2.8867e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 0.1274079622121569 (4.56827e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 elapsed time for k point: 0.014455795288085938 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1175895698985854 (8.46358% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1169854373382419 (0.515087% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1169634629343659 (0.0187856% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1169624287919833 (0.000884162% change) linmin: converged after 15 iterations. iteration 5: trace = 0.1169623892439103 (3.38126e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1169623870108744 (1.90919e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1169623869324882 (6.70183e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1169623869302093 (1.94843e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1169623869301465 (5.37255e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 elapsed time for k point: 0.005099058151245117 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1076617181330985 (7.39497% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1074867217773472 (0.162675% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1074797532363015 (0.00648337% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1074794560989978 (0.000276459% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1074794492025648 (6.41651e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1074794489996317 (1.88811e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1074794489927401 (6.41204e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1074794489925578 (1.69638e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1074794489925547 (2.87938e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 elapsed time for k point: 0.005133867263793945 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1014137083501608 (7.0899% change) linmin: converged after 3 iterations. iteration 2: trace = 0.1013434149944228 (0.0693375% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1013402349806177 (0.00313791% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1013401302210901 (0.000103374% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1013401281880725 (2.00613e-06% change) linmin: converged after 21 iterations. iteration 6: trace = 0.1013401281491232 (3.84342e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1013401281478892 (1.21771e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1013401281478577 (3.10586e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 elapsed time for k point: 0.00458526611328125 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.09929517146312491 (6.9708% change) linmin: converged after 3 iterations. iteration 2: trace = 0.09924752556066022 (0.0479956% change) linmin: converged after 3 iterations. iteration 3: trace = 0.09924547743477752 (0.00206368% change) linmin: converged after 2 iterations. iteration 4: trace = 0.09924540340840851 (7.45892e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.09924540237232149 (1.04396e-06% change) linmin: converged after 27 iterations. iteration 6: trace = 0.09924540235031715 (2.21716e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.0992454023496615 (6.60627e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.09924540234965068 (1.0907e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 elapsed time for k point: 0.004602193832397461 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1023748756355368 (0.938618% change) linmin: converged after 4 iterations. iteration 2: trace = 0.10234483009841 (0.0293529% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1023441319883404 (0.000682118% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1023441118540878 (1.96731e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1023441112170787 (6.22419e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1023441112108164 (6.11888e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1023441112106436 (1.68821e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1023441112106414 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 elapsed time for k point: 0.004568576812744141 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1111648725369592 (1.70677% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1111022041294547 (0.0563902% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1111005428817409 (0.00149525% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1111004887965007 (4.86814e-05% change) linmin: converged after 11 iterations. iteration 5: trace = 0.1111004875283868 (1.14141e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1111004875048891 (2.115e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1111004875044872 (3.61795e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1111004875044771 (9.06861e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 elapsed time for k point: 0.004571676254272461 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1238434803057007 (3.06251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1236602488077916 (0.148064% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1236554311291923 (0.00389598% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1236552618867514 (0.000136866% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1236552585512283 (2.69744e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1236552584722953 (6.38331e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1236552584710226 (1.02924e-09% change) linmin: converged after 9 iterations. iteration 8: trace = 0.1236552584709829 (3.20752e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 elapsed time for k point: 0.004536628723144531 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.1365861283694175 (4.90629% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1360353991956018 (0.404025% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1360216616314292 (0.010099% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1360211293759799 (0.000391303% change) linmin: converged after 6 iterations. iteration 5: trace = 0.136021117748354 (8.5484e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1360211172989073 (3.30424e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.136021117275474 (1.72277e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1360211172747932 (5.00461e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1360211172747791 (1.03659e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 elapsed time for k point: 0.0050678253173828125 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1427907515851958 (7.20068% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1416129588617777 (0.828254% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1415842924679495 (0.0202448% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1415827791943139 (0.00106882% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1415827277312479 (3.63484e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1415827249602425 (1.95716e-06% change) linmin: converged after 7 iterations. iteration 7: trace = 0.1415827248205369 (9.86742e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1415827248187983 (1.22794e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1415827248187514 (3.31108e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 elapsed time for k point: 0.005124807357788086 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.139128512598051 (10.1029% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1378170044816252 (0.947124% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1377216292272727 (0.0692282% change) large trace change predicted (0.351976%) linmin: converged after 6 iterations. iteration 4: trace = 0.1372856158281962 (0.317092% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1366576168038859 (0.458488% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1366119030153259 (0.0334569% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1366103217876671 (0.00115747% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1366097453256683 (0.000421976% change) large trace change predicted (0.0013334%) linmin: converged after 5 iterations. iteration 9: trace = 0.1366079217893784 (0.00133486% change) linmin: converged after 6 iterations. iteration 10: trace = 0.1366070298222958 (0.000652942% change) linmin: converged after 4 iterations. iteration 11: trace = 0.1366069869567786 (3.13787e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1366069853873101 (1.14889e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.136606984352414 (7.57572e-07% change) large trace change predicted (2.51117e-06%) linmin: converged after 7 iterations. iteration 14: trace = 0.1366069809219635 (2.51118e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1366069801728979 (5.48336e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1366069801486565 (1.77453e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1366069801469442 (1.25345e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 0.1366069801444114 (1.85406e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 0.1366069801394009 (3.6678e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 0.1366069801387251 (4.94739e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 0.1366069801387 (1.8347e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 elapsed time for k point: 0.011221885681152344 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1288477330212029 (10.0415% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1283196778719535 (0.41067% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1283049547472065 (0.0114744% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1283044898205979 (0.000362361% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1283044779202521 (9.27508e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1283044775632081 (2.78279e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1283044775566784 (5.08924e-09% change) linmin: converged after 12 iterations. iteration 8: trace = 0.1283044775564042 (2.13687e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1283044775563505 (4.18591e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 elapsed time for k point: 0.0051271915435791016 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1253721759990562 (8.44741% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1250731667431224 (0.238782% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1250655728028864 (0.00607178% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1250652918569694 (0.000224639% change) linmin: converged after 24 iterations. iteration 5: trace = 0.1250652868137379 (4.03248e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1250652866511762 (1.29981e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1250652866473551 (3.05531e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1250652866471705 (1.47605e-10% change) linmin: converged after 7 iterations. iteration 9: trace = 0.125065286647159 (9.16566e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 elapsed time for k point: 0.0050809383392333984 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1294353344754178 (8.78986% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1287958675499608 (0.495267% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1287444978499471 (0.0398925% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1287432352198245 (0.00098073% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1287431529997959 (6.38636e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1287431505713914 (1.88624e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1287431504657529 (8.20537e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1287431504623983 (2.60558e-09% change) linmin: converged after 6 iterations. iteration 9: trace = 0.1287431504622696 (9.99901e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 elapsed time for k point: 0.005068540573120117 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1366524581132343 (4.3465% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1330957028213662 (2.63709% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1326683867029226 (0.321576% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1326585108523264 (0.00744429% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1326532168393765 (0.00399079% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326529644658705 (0.000190251% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1326529514655156 (9.80028e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1326529455152222 (4.48561e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1326529452762264 (1.80166e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 0.1326529452646071 (8.75921e-09% change) linmin: converged after 7 iterations. iteration 11: trace = 0.1326529452610045 (2.71582e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1326529452608697 (1.01562e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1326529452608119 (4.36045e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 elapsed time for k point: 0.003546476364135742 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2186225691051753 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474916 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458684 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2186225691051753) to band 2 (0.25999614437474916), 17.288741164655384% total elapsed time for run: 0.09433579444885254 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.194427, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009036064147949219 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 0.6549253906200143 (198.431% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3091275545744975 (71.7383% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3021663145641905 (2.27754% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3010091523576726 (0.38369% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2989636350397318 (0.68187% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2983048314779293 (0.220606% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2982588060176778 (0.0154302% change) linmin: converged after 3 iterations. iteration 8: trace = 0.298256042683861 (0.000926493% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2982542423263998 (0.00060363% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2982522951543164 (0.000652859% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2982519775108616 (0.000106502% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2982519598579505 (5.91879e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2982519583456514 (5.07054e-07% change) linmin: converged after 15 iterations. iteration 14: trace = 0.2982519560571799 (7.67295e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2982519551981037 (2.88037e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 0.2982519551550086 (1.44492e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 0.2982519551524458 (8.59287e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 0.2982519551507772 (5.59445e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 0.2982519551491578 (5.42991e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2982519551490034 (5.17418e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.005392789840698242 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2966250315366553 (4.81134% change) linmin: converged after 6 iterations. iteration 2: trace = 0.2810412199538802 (5.39544% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2797075559501458 (0.475673% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2796368858730388 (0.0252689% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2796049788771749 (0.0114108% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2795924192270245 (0.00449203% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2795912768509242 (0.000408587% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2795911968916416 (2.85986e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2795911512747801 (1.63156e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2795911392192883 (4.31183e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.279591138056747 (4.158e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2795911379221785 (4.81304e-08% change) linmin: converged after 27 iterations. iteration 13: trace = 0.2795911378697254 (1.87606e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 0.2795911378501708 (6.99401e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2795911378480385 (7.62667e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2795911378478668 (6.13898e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 elapsed time for k point: 0.00876164436340332 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.262285041991294 (3.26212% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2613364588441809 (0.362316% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2611888623243493 (0.0564935% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2611845433419114 (0.0016536% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2611842511623715 (0.000111867% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2611842413682735 (3.74988e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 0.261184240987902 (1.45633e-07% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2611842409520096 (1.37422e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2611842409471598 (1.85689e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2611842409470008 (6.08704e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 elapsed time for k point: 0.005620241165161133 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2495890152828732 (3.71776% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2491349626349514 (0.182086% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2491001185963264 (0.013987% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2490994092373555 (0.000284769% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2490993783901632 (1.23835e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.2490993774714976 (3.68795e-07% change) linmin: converged after 17 iterations. iteration 7: trace = 0.2490993774413398 (1.21067e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2490993774400472 (5.18911e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2490993774400128 (1.37943e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 elapsed time for k point: 0.005136013031005859 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2427649179615225 (4.12003% change) linmin: converged after 4 iterations. iteration 2: trace = 0.242459580028427 (0.125854% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2424461076700271 (0.00555669% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2424457235513505 (0.000158435% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2424457147102562 (3.64663e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2424457144963569 (8.82257e-08% change) linmin: converged after 8 iterations. iteration 7: trace = 0.2424457144901444 (2.56241e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.242445714489984 (6.61589e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 elapsed time for k point: 0.004572868347167969 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2406037838644215 (4.34726% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2403528913598912 (0.104331% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2403446058300958 (0.00344729% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2403442785818099 (0.000136158% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2403442726085168 (2.48531e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2403442724382664 (7.08361e-08% change) linmin: converged after 7 iterations. iteration 7: trace = 0.2403442724330158 (2.1846e-09% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2403442724329466 (2.88129e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 elapsed time for k point: 0.004561662673950195 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2478650541659824 (0.665976% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2478153067195069 (0.0200724% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2478136011813217 (0.000688232% change) linmin: converged after 9 iterations. iteration 4: trace = 0.2478135705407395 (1.23644e-05% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2478135698495617 (2.7891e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.247813569828165 (8.63421e-09% change) linmin: converged after 14 iterations. iteration 7: trace = 0.2478135698278286 (1.35724e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2478135698278218 (2.76645e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 elapsed time for k point: 0.004579067230224609 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2689523558126344 (1.15158% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2687965094237142 (0.0579625% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2687923010456907 (0.00156565% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2687921865479118 (4.25971e-05% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2687921840676181 (9.22755e-07% change) linmin: converged after 16 iterations. iteration 6: trace = 0.2687921840087602 (2.18972e-08% change) linmin: converged after 10 iterations. iteration 7: trace = 0.2687921840070877 (6.22226e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2687921840070467 (1.52412e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 elapsed time for k point: 0.004629373550415039 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2988641621313887 (2.11503% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2984227993488109 (0.147789% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2984110530872358 (0.00393619% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2984106728909142 (0.000127407% change) linmin: converged after 8 iterations. iteration 5: trace = 0.2984106621553148 (3.59759e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.298410661911048 (8.18559e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2984106619038381 (2.4161e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2984106619036122 (7.56926e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 elapsed time for k point: 0.00455927848815918 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3278879623914513 (3.57107% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3268031317976849 (0.331402% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3267703883056816 (0.0100198% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3267691490121234 (0.000379256% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3267691042855297 (1.36875e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.3267691033363587 (2.90471e-07% change) linmin: converged after 20 iterations. iteration 7: trace = 0.3267691033112133 (7.69517e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3267691033102657 (2.89983e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3267691033102509 (4.51878e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 elapsed time for k point: 0.0051043033599853516 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3410949974631013 (5.35228% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3391984614179793 (0.557564% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3391366043905772 (0.0182379% change) linmin: converged after 4 iterations. iteration 4: trace = 0.339134207757369 (0.000706689% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3391341108700711 (2.8569e-05% change) linmin: converged after 13 iterations. iteration 6: trace = 0.3391341089176967 (5.75694e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3391341088659968 (1.52447e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3391341088634661 (7.46223e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3391341088633691 (2.85958e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 elapsed time for k point: 0.005089759826660156 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3320175035443904 (7.19666% change) linmin: converged after 5 iterations. iteration 2: trace = 0.32885221764261 (0.957915% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3263796244791458 (0.754723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.3219901164799807 (1.35401% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3215485300393172 (0.137237% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3215259880095883 (0.00701071% change) linmin: converged after 4 iterations. iteration 7: trace = 0.321524056913301 (0.000600605% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3215211961989128 (0.00088974% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3215198890578126 (0.00040655% change) linmin: converged after 5 iterations. iteration 10: trace = 0.3215197879153993 (3.14576e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.3215197847617491 (9.80857e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 0.3215197841679537 (1.84684e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.321519783062564 (3.43801e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 0.321519782785553 (8.61567e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 0.3215197827696911 (4.93344e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 0.3215197827690932 (1.85947e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.3215197827688706 (6.92336e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 elapsed time for k point: 0.009225606918334961 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2914724979423134 (6.31106% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2901669297397642 (0.448927% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2901228936895049 (0.0151773% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2901214428380559 (0.000500083% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2901214024217765 (1.39308e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2901214014190728 (3.45615e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2901214013741388 (1.5488e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2901214013724249 (5.90755e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2901214013723648 (2.07219e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 elapsed time for k point: 0.005106687545776367 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2714938962778228 (4.17227% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2709002793369421 (0.218888% change) linmin: converged after 4 iterations. iteration 3: trace = 0.270862840327649 (0.0138212% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2708607902378602 (0.000756877% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2708607279884342 (2.29821e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2708607259652259 (7.46955e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2708607258906749 (2.75237e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2708607258855507 (1.89183e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2708607258851874 (1.34136e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 0.2708607258851711 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 elapsed time for k point: 0.005654335021972656 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.275727883707746 (3.37811% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2752294374122133 (0.180938% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2751077523722808 (0.044222% change) linmin: converged after 4 iterations. iteration 4: trace = 0.275094762042982 (0.00472202% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2750943791629711 (0.000139181% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2750943682465168 (3.96826e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.275094367781892 (1.68897e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 0.275094367703044 (2.86622e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2750943676888276 (5.16783e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 0.2750943676881246 (2.55546e-10% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2750943676881146 (3.63221e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 elapsed time for k point: 0.006120920181274414 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3063507184996812 (2.00508% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031319400186664 (1.05623% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2988994850147804 (1.40606% change) linmin: converged after 8 iterations. iteration 4: trace = 0.2982983429994932 (0.201321% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2982585418778202 (0.0133436% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2982566127600081 (0.000646796% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982536607041398 (0.000989775% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2982520309344616 (0.000546439% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2982519600533238 (2.37655e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2982519569354715 (1.04538e-06% change) linmin: converged after 7 iterations. iteration 11: trace = 0.2982519563685401 (1.90085e-07% change) linmin: converged after 16 iterations. iteration 12: trace = 0.2982519553645638 (3.3662e-07% change) linmin: converged after 10 iterations. iteration 13: trace = 0.2982519551600099 (6.85843e-08% change) linmin: converged after 22 iterations. iteration 14: trace = 0.2982519551499672 (3.36716e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2982519551494953 (1.58241e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2982519551492224 (9.14974e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.004311084747314453 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856945 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943924 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610293 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856945) to band 2 (0.42411505161943924), 39.1000855456212% total elapsed time for run: 0.0900275707244873 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.161094, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009088516235351562 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 0.8865138653874612 (197.906% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3200046970003622 (93.9081% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3068086580978387 (4.21052% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3030326413122449 (1.23836% change) linmin: converged after 3 iterations. iteration 5: trace = 0.3026141893486451 (0.138183% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3025973435560046 (0.00556691% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3025960087856283 (0.000441105% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025957149074368 (9.7119e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3025956971360175 (5.87299e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 0.3025956960690346 (3.5261e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 0.3025956959599987 (3.60335e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959421134 (5.91063e-09% change) linmin: converged after 7 iterations. iteration 13: trace = 0.3025956959407101 (4.63743e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 0.3025956959406486 (2.03262e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 elapsed time for k point: 0.0038537979125976562 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.304694850544768 (3.77829% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3012169493975252 (1.14799% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3009374600602785 (0.0928298% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3009299252030405 (0.00250383% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3009297396741477 (6.16519e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.30092972116028 (6.15222e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3009297179658467 (1.06152e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3009297177077819 (8.57558e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3009297177020471 (1.90569e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3009297177018309 (7.18493e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 elapsed time for k point: 0.005670070648193359 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2993772621931762 (4.06065% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2971754981861197 (0.738162% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2969647758505132 (0.0709335% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2969599541881608 (0.00162366% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2969598407822387 (3.8189e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2969598364647942 (1.45388e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2969598362066004 (8.69457e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.296959836184407 (7.47356e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2969598361819389 (8.31116e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2969598361818409 (3.30121e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 elapsed time for k point: 0.00560450553894043 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2938435215784341 (4.30612% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2927441839095635 (0.374825% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2926467105733512 (0.033302% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2926449733559747 (0.000593624% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2926449193562999 (1.84523e-05% change) linmin: converged after 13 iterations. iteration 6: trace = 0.292644917689337 (5.6962e-07% change) linmin: converged after 35 iterations. iteration 7: trace = 0.2926449175856842 (3.54193e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2926449175810242 (1.59239e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2926449175807107 (1.07136e-10% change) linmin: converged after 17 iterations. iteration 10: trace = 0.2926449175807007 (3.41438e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 elapsed time for k point: 0.005624532699584961 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2901150873109321 (4.44251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2895449449297268 (0.196716% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2895150953299019 (0.0103097% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2895144114344814 (0.000236221% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2895143963165008 (5.22184e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2895143959258291 (1.3494e-07% change) linmin: converged after 19 iterations. iteration 7: trace = 0.2895143959126527 (4.55123e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2895143959121476 (1.74463e-10% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2895143959121311 (5.67547e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 elapsed time for k point: 0.0051116943359375 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.288803400262168 (4.49556% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2883971863650514 (0.140753% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2883890967942879 (0.00280505% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2883886834700361 (0.000143322% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2883886769569957 (2.25842e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2883886767783875 (6.19331e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2883886767738498 (1.57349e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2883886767737718 (2.70252e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 elapsed time for k point: 0.004580020904541016 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2982501673194342 (0.506108% change) linmin: converged after 3 iterations. iteration 2: trace = 0.2982104738003746 (0.0133097% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2982086460163033 (0.000612919% change) linmin: converged after 23 iterations. iteration 4: trace = 0.2982086207857152 (8.46072e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2982086197260261 (3.55352e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.298208619695097 (1.03716e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2982086196943675 (2.44637e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982086196943483 (6.44075e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 elapsed time for k point: 0.004553794860839844 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3266367774016526 (0.830279% change) linmin: converged after 3 iterations. iteration 2: trace = 0.3265044430836116 (0.0405224% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3264980604168627 (0.00195487% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3264979266586152 (4.09676e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3264979229973254 (1.12138e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3264979228246051 (5.29009e-08% change) linmin: converged after 15 iterations. iteration 7: trace = 0.3264979228224313 (6.65798e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3264979228223415 (2.75092e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 elapsed time for k point: 0.004549264907836914 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.3695365223764 (1.48558% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3690894962296903 (0.121043% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3690670482003574 (0.00608219% change) linmin: converged after 9 iterations. iteration 4: trace = 0.369066437746191 (0.000165405% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3690664179900577 (5.353e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3690664173327335 (1.78105e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3690664173183388 (3.9003e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3690664173180317 (8.32066e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 elapsed time for k point: 0.004576206207275391 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.4173499292601254 (2.62841% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4156434788169446 (0.409715% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4155485977073974 (0.0228301% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4155449430743093 (0.000879476% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4155448032643572 (3.3645e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4155448000759097 (7.67293e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4155447999425277 (3.20981e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4155447999216207 (5.03121e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4155447999210303 (1.42083e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.4155447999210046 (6.19841e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 elapsed time for k point: 0.00558924674987793 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.4460423269353659 (5.07015% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4401376357000977 (1.33262% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4398345567490911 (0.0688838% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4398187039759408 (0.00360432% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4398182310628918 (0.000107525% change) linmin: converged after 3 iterations. iteration 6: trace = 0.4398182203781182 (2.42936e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4398182200041564 (8.50264e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.4398182199097659 (2.14613e-08% change) linmin: converged after 6 iterations. iteration 9: trace = 0.4398182199058903 (8.81187e-10% change) linmin: converged after 5 iterations. iteration 10: trace = 0.4398182199057518 (3.14904e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 elapsed time for k point: 0.0056018829345703125 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4254304940104555 (7.90763% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4154061158898801 (2.38438% change) linmin: converged after 5 iterations. iteration 3: trace = 0.4086474339536491 (1.64035% change) linmin: converged after 5 iterations. iteration 4: trace = 0.4030720876492543 (1.37371% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4025050595480553 (0.140776% change) linmin: converged after 4 iterations. iteration 6: trace = 0.4024773504470213 (0.0068844% change) linmin: converged after 3 iterations. iteration 7: trace = 0.4024758244070205 (0.000379162% change) linmin: converged after 4 iterations. iteration 8: trace = 0.4024756354882399 (4.69392e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 0.40247550442241 (3.25649e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 0.4024754425634778 (1.53696e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.4024754386798522 (9.64935e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 0.4024754384625262 (5.39973e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 0.4024754384481776 (3.56508e-09% change) linmin: converged after 7 iterations. iteration 14: trace = 0.4024754384464003 (4.41592e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 0.4024754384452956 (2.74483e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.4024754384447274 (1.41166e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.4024754384446911 (9.03404e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 elapsed time for k point: 0.009183883666992188 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3494947013271267 (5.04145% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3477682141916972 (0.495218% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3476951474265371 (0.0210124% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3476919810771725 (0.000910672% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3476919224042099 (1.6875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3476919188690358 (1.01675e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3476919187143103 (4.45008e-08% change) linmin: converged after 18 iterations. iteration 8: trace = 0.3476919187046027 (2.792e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3476919187043958 (5.95198e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 elapsed time for k point: 0.005106687545776367 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.313674462678804 (3.55049% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3125395680681952 (0.362462% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3124731771050028 (0.0212447% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3124702465943586 (0.000937848% change) linmin: converged after 11 iterations. iteration 5: trace = 0.3124701893749383 (1.8312e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3124701860944269 (1.04986e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3124701859365773 (5.05167e-08% change) linmin: converged after 18 iterations. iteration 8: trace = 0.3124701859237748 (4.09718e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3124701859233402 (1.39084e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.312470185923318 (7.10611e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 elapsed time for k point: 0.005610942840576172 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3038101253174502 (3.91494% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3016593346553426 (0.710454% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3014471622741597 (0.0703598% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3014388140917271 (0.00276941% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3014386435309352 (5.65822e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3014386380615977 (1.81441e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3014386378123752 (8.26777e-08% change) linmin: converged after 8 iterations. iteration 8: trace = 0.3014386377980788 (4.74274e-09% change) linmin: converged after 10 iterations. iteration 9: trace = 0.3014386377957531 (7.71532e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3014386377955977 (5.15631e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 elapsed time for k point: 0.005621194839477539 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3082775823540669 (5.57215% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031076120438354 (1.69123% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3026170118071226 (0.161988% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3025983731804747 (0.00615934% change) linmin: converged after 4 iterations. iteration 5: trace = 0.302596172251638 (0.000727346% change) linmin: converged after 5 iterations. iteration 6: trace = 0.302595719263861 (0.000149701% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3025956975678885 (7.16995e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025956961202268 (4.78414e-07% change) linmin: converged after 29 iterations. iteration 9: trace = 0.3025956959692822 (4.98833e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 0.30259569594187 (9.05901e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 0.3025956959407161 (3.81337e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 0.3025956959406537 (2.06198e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 .elapsed time for k point: 0.003311634063720703 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232155 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4615121898996919 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819286 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232155) to band 2 (0.4615121898996919), 36.990024869608185% total elapsed time for run: 0.08574295043945312 done /tmp/meepREy4kN/test_maximize_first_tm_gap-0: 0.37s /tmp/meepREy4kN/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013778209686279297 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1393742561340332 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3896167278289795 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08591747283935547 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07929396629333496 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09178447723388672 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14262056350708008 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1080925464630127 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09473538398742676 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07926440238952637 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07576584815979004 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.0754857063293457 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.059627532958984375 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06944680213928223 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09492015838623047 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11174464225769043 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24740886688232422 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9476585388183594 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014636516571044922 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13923239707946777 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3908255100250244 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08597230911254883 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07890152931213379 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09154534339904785 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1425032615661621 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10783839225769043 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09169459342956543 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07919168472290039 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07575821876525879 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07545185089111328 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.059725046157836914 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06934523582458496 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09473252296447754 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11092567443847656 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.247023344039917 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.943263053894043 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 ./tmp/meepREy4kN/test_multiply_bloch_in_mpb_data-0: 3.94s /tmp/meepREy4kN/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013744831085205078 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13878440856933594 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3882482051849365 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08576178550720215 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07879185676574707 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09139347076416016 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14198803901672363 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10717082023620605 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09085631370544434 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07846999168395996 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07490992546081543 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07484006881713867 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05922222137451172 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06887102127075195 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09435367584228516 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11023569107055664 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24509119987487793 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9314851760864258 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 ./tmp/meepREy4kN/test_multiply_bloch_phase-0: 1.93s /tmp/meepREy4kN/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013506412506103516 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1383194923400879 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3858802318572998 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08539462089538574 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07834172248840332 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09104180335998535 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14194560050964355 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10699176788330078 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09107112884521484 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07854866981506348 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07511258125305176 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07503151893615723 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.059313058853149414 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06890726089477539 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09396243095397949 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11045074462890625 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2451798915863037 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.928027868270874 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 .Outputting complex scalar field to /tmp/meepREy4kN/test_output_charge_density-0-C.k16.b08.te.h5... /tmp/meepREy4kN/test_output_charge_density-0: 1.93s /tmp/meepREy4kN/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013875961303710938 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13723134994506836 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102546, 0.8567435000049364 Outputting fields to /tmp/meepREy4kN/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069426, 0.5288260557983413 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480439, 0.5288079654922656 D-energy-components:, 1, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195854466, 0.08910010798064814 D-energy-components:, 1, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.000171117688413, 0.4012464930179531 D-energy-components:, 1, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032258794, 0.40125199105710213 D-energy-components:, 1, 8, 0.499992, 0.500008, 0 dpwr:, 8, 1.092820931747629, 0.28720566826326627 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.388446569442749 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272505, 0.04603176933548133 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 dpwr:, 2, 0.551137686974427, 0.8445541870140358 D-energy-components:, 2, 3, 0.219526, 0.780474, 0 dpwr:, 3, 0.7615997355586388, 0.4427396122607623 D-energy-components:, 2, 4, 0.779994, 0.220006, 0 dpwr:, 4, 0.7746821846144919, 0.5367491123449687 D-energy-components:, 2, 5, 0.333449, 0.666551, 0 dpwr:, 5, 0.9071987086409541, 0.3120181983347261 D-energy-components:, 2, 6, 0.881419, 0.118581, 0 dpwr:, 6, 1.001877952940223, 0.389133392897093 D-energy-components:, 2, 7, 0.392233, 0.607767, 0 dpwr:, 7, 1.0035701586968402, 0.27762088392887485 D-energy-components:, 2, 8, 0.507954, 0.492046, 0 dpwr:, 8, 1.1020906511633553, 0.6676492387496954 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08559608459472656 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.17869200446402672, 0.05442207264059689 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 dpwr:, 2, 0.5448958802776009, 0.7942737936904464 D-energy-components:, 3, 3, 0.23103, 0.76897, 0 dpwr:, 3, 0.7285335884676534, 0.3007717411390054 D-energy-components:, 3, 4, 0.758854, 0.241146, 0 dpwr:, 4, 0.7785279987553604, 0.5586605740266591 D-energy-components:, 3, 5, 0.240477, 0.759523, 0 dpwr:, 5, 0.8802435456076878, 0.5941655354344233 D-energy-components:, 3, 6, 0.863785, 0.136215, 0 dpwr:, 6, 1.0069870419364997, 0.3547233907515459 D-energy-components:, 3, 7, 0.585239, 0.414761, 0 dpwr:, 7, 1.0169614533587052, 0.21322445865289832 D-energy-components:, 3, 8, 0.535346, 0.464654, 0 dpwr:, 8, 1.1002742200343298, 0.623265498628933 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07864093780517578 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.26579760671574704, 0.07189021129298956 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 dpwr:, 2, 0.528175580889728, 0.6596795148910986 D-energy-components:, 4, 3, 0.27068, 0.72932, 0 dpwr:, 3, 0.6854491685263079, 0.3005421253041571 D-energy-components:, 4, 4, 0.732284, 0.267716, 0 dpwr:, 4, 0.783377431811592, 0.5880663066200458 D-energy-components:, 4, 5, 0.261431, 0.738569, 0 dpwr:, 5, 0.8607144514828621, 0.7295588531345849 D-energy-components:, 4, 6, 0.829353, 0.170647, 0 dpwr:, 6, 1.015152030425295, 0.30554099772434606 D-energy-components:, 4, 7, 0.603026, 0.396974, 0 dpwr:, 7, 1.0384314734879103, 0.24673894341648736 D-energy-components:, 4, 8, 0.592482, 0.407518, 0 dpwr:, 8, 1.0966392149656101, 0.5396650770126294 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.0912008285522461 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452583, 0.10384524472299073 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 dpwr:, 2, 0.490738447617832, 0.4356739544080347 D-energy-components:, 5, 3, 0.351613, 0.648387, 0 dpwr:, 3, 0.6527974478809139, 0.4481425123507 D-energy-components:, 5, 4, 0.710454, 0.289546, 0 dpwr:, 4, 0.7873816318426072, 0.6139011766780409 D-energy-components:, 5, 5, 0.295332, 0.704668, 0 dpwr:, 5, 0.8499993146942633, 0.7699338908264387 D-energy-components:, 5, 6, 0.77736, 0.22264, 0 dpwr:, 6, 1.024429460878491, 0.2578911955076916 D-energy-components:, 5, 7, 0.546257, 0.453743, 0 dpwr:, 7, 1.0644076666285343, 0.3322131408251663 D-energy-components:, 5, 8, 0.681176, 0.318824, 0 dpwr:, 8, 1.0912080621155025, 0.432931740401934 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14177250862121582 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654536, 0.08603996686495279 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 dpwr:, 2, 0.4415884497225444, 0.3584484766510359 D-energy-components:, 6, 3, 0.391615, 0.608385, 0 dpwr:, 3, 0.6419977365450051, 0.5328472337342331 D-energy-components:, 6, 4, 0.702039, 0.297961, 0 dpwr:, 4, 0.7889329895481019, 0.6242704622253022 D-energy-components:, 6, 5, 0.308697, 0.691303, 0 dpwr:, 5, 0.8465878695825275, 0.7771267587548936 D-energy-components:, 6, 6, 0.742736, 0.257264, 0 dpwr:, 6, 1.0291597050650207, 0.2368121142822689 D-energy-components:, 6, 7, 0.350801, 0.649199, 0 dpwr:, 7, 1.086072932359417, 0.5782428834882117 D-energy-components:, 6, 8, 0.737396, 0.262604, 0 dpwr:, 8, 1.0878689635052696, 0.3795081622229656 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10741281509399414 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.4237414613237853, 0.08405292712306052 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 dpwr:, 2, 0.44578070370980216, 0.37490215610134964 D-energy-components:, 7, 3, 0.394034, 0.605966, 0 dpwr:, 3, 0.6382302673378553, 0.508227094763859 D-energy-components:, 7, 4, 0.691881, 0.308119, 0 dpwr:, 4, 0.7931468861820258, 0.6251503072194667 D-energy-components:, 7, 5, 0.335703, 0.664297, 0 dpwr:, 5, 0.8429434922386815, 0.7355775624966431 D-energy-components:, 7, 6, 0.716117, 0.283883, 0 dpwr:, 6, 0.9865231609182584, 0.18697860289998966 D-energy-components:, 7, 7, 0.592896, 0.407104, 0 dpwr:, 7, 1.0501755817174658, 0.4077764093960339 D-energy-components:, 7, 8, 0.507261, 0.492739, 0 dpwr:, 8, 1.1038343097294325, 0.6404816835444186 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09128355979919434 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.4547812725154716, 0.08020083733746218 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 dpwr:, 2, 0.4574339768574993, 0.42543224668170315 D-energy-components:, 8, 3, 0.39346, 0.60654, 0 dpwr:, 3, 0.6278984163475767, 0.43806479968572104 D-energy-components:, 8, 4, 0.668133, 0.331867, 0 dpwr:, 4, 0.8052541518094462, 0.6230094255563579 D-energy-components:, 8, 5, 0.454908, 0.545092, 0 dpwr:, 5, 0.8261006682422064, 0.5373015422282856 D-energy-components:, 8, 6, 0.562281, 0.437719, 0 dpwr:, 6, 0.927944859792419, 0.35266364984631754 D-energy-components:, 8, 7, 0.614808, 0.385192, 0 dpwr:, 7, 1.0045628522255505, 0.42073899377174034 D-energy-components:, 8, 8, 0.497393, 0.502607, 0 dpwr:, 8, 1.108792554315, 0.7279717672398118 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07882261276245117 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.47376659593612236, 0.5125827722134951 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 dpwr:, 2, 0.5012788429465528, 0.07946478028058172 D-energy-components:, 9, 3, 0.37582, 0.62418, 0 dpwr:, 3, 0.6135801757468698, 0.3288116237040682 D-energy-components:, 9, 4, 0.604014, 0.395986, 0 dpwr:, 4, 0.7814668693238181, 0.22327322644032324 D-energy-components:, 9, 5, 0.642263, 0.357737, 0 dpwr:, 5, 0.8241814443502156, 0.6095695047986233 D-energy-components:, 9, 6, 0.357719, 0.642281, 0 dpwr:, 6, 0.8949492139663714, 0.6540286383381512 D-energy-components:, 9, 7, 0.617321, 0.382679, 0 dpwr:, 7, 0.9590511572130652, 0.46189058607300787 D-energy-components:, 9, 8, 0.497742, 0.502258, 0 dpwr:, 8, 1.1106978152214078, 0.7615498171458284 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07515931129455566 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371615308 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 dpwr:, 2, 0.5560451343598191, 0.0903499596303509 D-energy-components:, 10, 3, 0.336621, 0.663379, 0 dpwr:, 3, 0.5995699405207225, 0.19597806182919142 D-energy-components:, 10, 4, 0.593365, 0.406635, 0 dpwr:, 4, 0.7196106755137285, 0.08289042691568235 D-energy-components:, 10, 5, 0.620299, 0.379701, 0 dpwr:, 5, 0.8492467967258347, 0.5777971969564293 D-energy-components:, 10, 6, 0.283543, 0.716457, 0 dpwr:, 6, 0.8843373771777039, 0.7772986149184443 D-energy-components:, 10, 7, 0.618314, 0.381686, 0 dpwr:, 7, 0.9171675057709648, 0.5159863025112328 D-energy-components:, 10, 8, 0.499316, 0.500684, 0 dpwr:, 8, 1.1116210575363994, 0.7756611032715236 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.0750892162322998 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.4968358647448986, 0.6986360262353926 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 dpwr:, 2, 0.5931405141160886, 0.11965861786804133 D-energy-components:, 11, 3, 0.509591, 0.490409, 0 dpwr:, 3, 0.5931535863117833, 0.11954218308176906 D-energy-components:, 11, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.6791690130757021, 0.026633379719866956 D-energy-components:, 11, 5, 0.5, 0.5, 0 dpwr:, 5, 0.8786838141604552, 0.2997497622839382 D-energy-components:, 11, 6, 0.362, 0.638, 0 dpwr:, 6, 0.881977091666069, 0.8023568424744697 D-energy-components:, 11, 7, 0.638005, 0.361995, 0 dpwr:, 7, 0.8819818134421863, 0.8023816357258053 D-energy-components:, 11, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1119173707556913, 0.7797381408707402 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05944967269897461 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434172, 0.41845731017621085 D-energy-components:, 12, 2, 0.5, 0.5, 0 dpwr:, 2, 0.5460026488335807, 0.3658958857129391 D-energy-components:, 12, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6067323336356549, 0.12560615204419626 D-energy-components:, 12, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.7436021910476279, 0.11295231544330911 D-energy-components:, 12, 5, 0.499995, 0.500005, 0 dpwr:, 5, 0.8392225951317908, 0.573850559806543 D-energy-components:, 12, 6, 0.500004, 0.499996, 0 dpwr:, 6, 0.8822539391893133, 0.7904020720470326 D-energy-components:, 12, 7, 0.500006, 0.499994, 0 dpwr:, 7, 0.9369700961990083, 0.4818498954987373 D-energy-components:, 12, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1112079237958836, 0.77061008284024 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06907773017883301 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290166, 0.1223740833813474 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 dpwr:, 2, 0.5361862884392886, 0.6769327340989899 D-energy-components:, 13, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6445723178214436, 0.15055644500912893 D-energy-components:, 13, 4, 0.499998, 0.500002, 0 dpwr:, 4, 0.8096891551677099, 0.5562411649880867 D-energy-components:, 13, 5, 0.499996, 0.500004, 0 dpwr:, 5, 0.825804393421293, 0.2464350024546788 D-energy-components:, 13, 6, 0.500008, 0.499992, 0 dpwr:, 6, 0.8836423042160464, 0.7471141728536403 D-energy-components:, 13, 7, 0.5, 0.5, 0 dpwr:, 7, 1.010203217330907, 0.38074698867754087 D-energy-components:, 13, 8, 0.5, 0.5, 0 dpwr:, 8, 1.107251471986555, 0.7236183032339155 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09426546096801758 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988460781 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5428871357208418, 0.776089779273674 D-energy-components:, 14, 3, 0.500001, 0.499999, 0 dpwr:, 3, 0.6980810670314974, 0.22096216698502874 D-energy-components:, 14, 4, 0.5, 0.5, 0 dpwr:, 4, 0.7893713580516234, 0.5549181091414706 D-energy-components:, 14, 5, 0.499969, 0.500031, 0 dpwr:, 5, 0.8884826102636717, 0.6405660798559313 D-energy-components:, 14, 6, 0.500033, 0.499967, 0 dpwr:, 6, 0.8978578700405546, 0.3162262953638465 D-energy-components:, 14, 7, 0.499994, 0.500006, 0 dpwr:, 7, 1.078841340829401, 0.46522856191784423 D-energy-components:, 14, 8, 0.500005, 0.499995, 0 dpwr:, 8, 1.0903856458796717, 0.5462861490109712 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11058282852172852 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469342, 0.047952797703298834 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5499075072904045, 0.8350614780733144 D-energy-components:, 15, 3, 0.499999, 0.500001, 0 dpwr:, 3, 0.7503777100615932, 0.3870295603731526 D-energy-components:, 15, 4, 0.500004, 0.499996, 0 dpwr:, 4, 0.7772608508874288, 0.5369475337156477 D-energy-components:, 15, 5, 0.499997, 0.500003, 0 dpwr:, 5, 0.9030590134928069, 0.3906213130756244 D-energy-components:, 15, 6, 0.500003, 0.499997, 0 dpwr:, 6, 0.9619844143351223, 0.3640423032025699 D-energy-components:, 15, 7, 0.500001, 0.499999, 0 dpwr:, 7, 1.041906497274037, 0.3229108453858703 D-energy-components:, 15, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.100036744786668, 0.648922709694379 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24359416961669922 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101995, 0.8567434642230597 Outputting fields to /tmp/meepREy4kN/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069766, 0.528826082855366 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480536, 0.5288079685695205 D-energy-components:, 16, 5, 0.5, 0.5, 0 dpwr:, 5, 0.922996519585588, 0.08910054416430166 D-energy-components:, 16, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.0001711176882835, 0.40124662932601907 D-energy-components:, 16, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.000172003225706, 0.4012520176859986 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 .dpwr:, 8, 1.0928209317478468, 0.2872053790863704 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9793200492858887 done /tmp/meepREy4kN/test_output_dpwr_in_objects-0: 1.98s /tmp/meepREy4kN/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013885498046875 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 16 iterations. iteration 1: trace = 13.34219610907316 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574134645 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532084566 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674664691 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153594937 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956211726 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820096039 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110536306 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920479 (0.0351352% change) linmin: converged after 6 iterations. iteration 10: trace = 4.381187024151515 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064872483 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652773514 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327479996 (0.0364202% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477119388 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613479035 (0.000911427% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192660378 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731090828 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431190648 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977266439 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547638314 (9.82294e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986616824 (1.28271e-05% change) linmin: converged after 8 iterations. iteration 22: trace = 4.373721450686105 (1.22534e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.373721224632515 (5.16845e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 4.373721180253412 (1.01468e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520035 (1.76815e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.373721170365219 (4.92674e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530104 (1.90939e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 4.373721169259862 (6.17878e-09% change) linmin: converged after 28 iterations. iteration 29: trace = 4.373721169186911 (1.66793e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721169145532 (9.4609e-10% change) linmin: converged after 11 iterations. iteration 31: trace = 4.373721169066987 (1.79584e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966431 (2.2991e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 4.373721168940524 (5.92319e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.373721168933659 (1.56974e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.37372116892797 (1.30067e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 4.373721168920043 (1.81241e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 4.373721168904344 (3.58949e-10% change) large trace change predicted (9.95405e-10%) linmin: converged after 5 iterations. iteration 38: trace = 4.373721168860811 (9.95315e-10% change) large trace change predicted (4.53523e-09%) linmin: converged after 6 iterations. iteration 39: trace = 4.373721168662423 (4.53591e-09% change) large trace change predicted (2.07011e-08%) linmin: converged after 3 iterations. iteration 40: trace = 4.373721167757034 (2.07007e-08% change) large trace change predicted (8.12557e-08%) linmin: converged after 4 iterations. iteration 41: trace = 4.373721164203222 (8.12537e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.37372115830691 (1.34812e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721154436483 (8.84928e-08% change) linmin: converged after 11 iterations. iteration 44: trace = 4.373721151274946 (7.22848e-08% change) large trace change predicted (2.03287e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383832 (2.03285e-07% change) large trace change predicted (4.92802e-07%) linmin: converged after 6 iterations. iteration 46: trace = 4.373721120833393 (4.92725e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 4.37372107793805 (9.80752e-07% change) large trace change predicted (2.055e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988609533 (2.04239e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903699593 (1.94137e-06% change) linmin: converged after 9 iterations. iteration 50: trace = 4.373720867145784 (8.3576e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.37372085603617 (2.54008e-07% change) linmin: converged after 9 iterations. iteration 52: trace = 4.373720853582015 (5.61114e-08% change) linmin: converged after 5 iterations. iteration 53: trace = 4.373720853002698 (1.32454e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 4.373720852585022 (9.54968e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851986538 (1.36836e-08% change) linmin: converged after 8 iterations. iteration 56: trace = 4.373720851520712 (1.06506e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 4.373720851245481 (6.29284e-09% change) linmin: converged after 7 iterations. iteration 58: trace = 4.373720851095249 (3.43487e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044093 (1.16963e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.373720851034473 (2.19947e-10% change) linmin: converged after 5 iterations. iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.16170811653137207 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909575996686 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128641663713 (0.94019% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320136589965 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732191285522 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652316352 (0.028693% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414673696 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.290902808716371 (0.00325348% change) linmin: converged after 6 iterations. iteration 8: trace = 4.2908721193893 (0.000715221% change) linmin: converged after 5 iterations. iteration 9: trace = 4.29086322736101 (0.000207231% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496337257 (8.69528e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035134088 (3.40539e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.290857390244804 (1.50294e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285462815 (2.44198e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271945756 (3.1502e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.290857267538623 (1.0271e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 4.290857264553208 (6.95762e-08% change) linmin: converged after 11 iterations. iteration 17: trace = 4.290857263488306 (2.48179e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.290857263235813 (5.88445e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156709 (1.84354e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.290857263115525 (9.59807e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096176 (4.50935e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085615 (2.46136e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.07569432258605957 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007783039 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336657865 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740783887 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881259739 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170494 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621548 (0.000236877% change) linmin: converged after 20 iterations. iteration 7: trace = 4.208308119593188 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493156 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.2083079596792 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47789e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.208307958537226 (2.35728e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.208307958520758 (3.91314e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.043633222579956055 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019179923 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.15091918802987 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.15050869675084 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631781 (0.00137421% change) linmin: converged after 6 iterations. iteration 5: trace = 4.150445322388979 (0.000152712% change) linmin: converged after 4 iterations. iteration 6: trace = 4.150444374952527 (2.28273e-05% change) linmin: converged after 38 iterations. iteration 7: trace = 4.150444119567911 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145889 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167716 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934402 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836717 (2.35361e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.150444015829235 (1.8027e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.043720245361328125 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812539464 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810314 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.11975343523068 (0.0146599% change) linmin: converged after 12 iterations. iteration 4: trace = 4.119635726773534 (0.00285721% change) linmin: converged after 5 iterations. iteration 5: trace = 4.119609536145701 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815895 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308932 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539519 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763422 (4.31134e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629699 (3.24603e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622139 (1.83496e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.04367947578430176 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244646566 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107313 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166868 (0.0241823% change) linmin: converged after 4 iterations. iteration 4: trace = 4.110889360751742 (0.00728306% change) linmin: converged after 6 iterations. iteration 5: trace = 4.11080703996452 (0.00200253% change) linmin: converged after 7 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801953 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787365 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125225 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910481 (5.38765e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738061 (4.19433e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.110777242727878 (2.47714e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.04366803169250488 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254176 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388635 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449423 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.09948996603966 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533704 (3.67352e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.099489964290493 (5.93271e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.099489964275826 (3.57785e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.04051089286804199 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.08011930367582 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385525 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 4 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245483 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.07945290434498 (1.02711e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.079452897007465 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879314 (2.76545e-08% change) linmin: converged after 5 iterations. iteration 10: trace = 4.079452895806834 (1.7767e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.03722977638244629 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550774 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231338 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 5 iterations. iteration 4: trace = 4.068777004347965 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591241 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.068759282973239 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.068759276139259 (3.34843e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.068759276129624 (2.36803e-10% change) linmin: converged after 17 iterations. iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.04039168357849121 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.08041013089164 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235417 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324658 (0.00232088% change) linmin: converged after 5 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.075526949476022 (7.83823e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.075526949369352 (2.61734e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.075526949350733 (4.56846e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.04667854309082031 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043243 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815202 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549152 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589705 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664407 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982815 (0.00206873% change) linmin: converged after 5 iterations. iteration 7: trace = 4.092151257465511 (0.00014336% change) linmin: converged after 5 iterations. iteration 8: trace = 4.0921506669632 (1.44301e-05% change) linmin: converged after 29 iterations. iteration 9: trace = 4.092150601221075 (1.60654e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.09215044281785 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447509 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87883e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.092150433621977 (1.38522e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.04999399185180664 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496078681969 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161341909401 (0.908868% change) linmin: converged after 5 iterations. iteration 3: trace = 4.060628566573646 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416799578 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154678076 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139224234 (0.011194% change) linmin: converged after 11 iterations. iteration 7: trace = 4.046656969292219 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828279984 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979405 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.04665226257679 (3.4696e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 4.046652203574181 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.04665218541018 (4.48865e-07% change) linmin: converged after 23 iterations. iteration 13: trace = 4.046652183788301 (4.00795e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.046652183683065 (2.60056e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.046652183677345 (1.41348e-10% change) linmin: converged after 16 iterations. iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.05328011512756348 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770394939 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188745 (0.123031% change) linmin: converged after 7 iterations. iteration 3: trace = 4.04457112881917 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705128 (0.0011425% change) linmin: converged after 5 iterations. iteration 5: trace = 4.044514961032788 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485701 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.04451325570943 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.044513236602917 (4.94069e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.044513236418492 (4.55988e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.044513236398149 (5.02974e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.04041552543640137 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840204 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070052 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394074 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532734 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601677 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030414 (2.34771e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.113415260853634 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902214 (2.31297e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.113415259769443 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756536 (3.13778e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.04028892517089844 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668811 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052032 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311717 (0.00157809% change) linmin: converged after 5 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 33 iterations. iteration 9: trace = 4.240749647343285 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492671 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080627 (9.71629e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034733 (1.08221e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.240749642029137 (1.31968e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.04682207107543945 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690654 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122198 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936335 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127845 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382419 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369238089 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462298 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817305982 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398593 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837435 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003573 (0.00173939% change) linmin: converged after 5 iterations. iteration 12: trace = 4.373725631015397 (0.000243499% change) linmin: converged after 4 iterations. iteration 13: trace = 4.373723713248079 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.373723043717632 (1.5308e-05% change) linmin: converged after 9 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078789 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618466 (3.39437e-06% change) large trace change predicted (8.38717e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.373721914772871 (8.38749e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.373721775011068 (3.19549e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750853678 (5.5233e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706459 (1.63413e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721741956021 (4.00217e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.373721741656272 (6.8534e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.37372174151351 (3.26409e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.373721741466444 (1.0761e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 4.373721741452075 (3.28549e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 4.373721741432764 (4.41518e-10% change) large trace change predicted (8.94441e-10%) linmin: converged after 10 iterations. iteration 28: trace = 4.373721741393643 (8.94449e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 4.373721741340017 (1.22611e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.37372174131413 (5.91872e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.37372174130407 (2.29999e-10% change) large trace change predicted (8.8515e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.373721741265362 (8.85026e-10% change) large trace change predicted (1.78977e-09%) linmin: converged after 3 iterations. iteration 33: trace = 4.373721741187082 (1.78977e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 4.373721741036555 (3.44162e-09% change) large trace change predicted (3.16488e-08%) linmin: converged after 4 iterations. iteration 35: trace = 4.373721739652334 (3.16486e-08% change) large trace change predicted (1.81295e-07%) linmin: converged after 4 iterations. iteration 36: trace = 4.373721731723725 (1.81278e-07% change) large trace change predicted (7.42215e-07%) linmin: converged after 4 iterations. iteration 37: trace = 4.373721699293694 (7.41474e-07% change) large trace change predicted (1.81306e-06%) linmin: converged after 7 iterations. iteration 38: trace = 4.373721620557427 (1.80021e-06% change) large trace change predicted (3.99382e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449599707 (3.90875e-06% change) linmin: converged after 16 iterations. iteration 40: trace = 4.373721351488157 (2.24321e-06% change) linmin: converged after 9 iterations. iteration 41: trace = 4.373721289289993 (1.42209e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 4.373721192919876 (2.20339e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721122950544 (1.59977e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.37372102588002 (2.2194e-06% change) linmin: converged after 6 iterations. iteration 45: trace = 4.373720919585161 (2.43031e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 4.373720871332154 (1.10325e-06% change) linmin: converged after 10 iterations. iteration 47: trace = 4.373720860378917 (2.50433e-07% change) linmin: converged after 13 iterations. iteration 48: trace = 4.373720857832792 (5.82142e-08% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720856551008 (2.93065e-08% change) linmin: converged after 4 iterations. iteration 50: trace = 4.373720854512562 (4.66067e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.373720852662255 (4.23051e-08% change) linmin: converged after 18 iterations. iteration 52: trace = 4.373720851889837 (1.76604e-08% change) linmin: converged after 7 iterations. iteration 53: trace = 4.373720851692727 (4.50671e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644104 (1.1117e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851631798 (2.81376e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.37372085162005 (2.68603e-10% change) linmin: converged after 28 iterations. iteration 57: trace = 4.373720851604448 (3.56716e-10% change) linmin: converged after 16 iterations. iteration 58: trace = 4.373720851597927 (1.49095e-10% change) linmin: converged after 16 iterations. iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.15649032592773438 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% total elapsed time for run: 0.9666898250579834 done Fixing e-field (band 8) phase by 2.441e-08 + -1i; max ampl. = 1.49941 FOutputting fields to /tmp/meepREy4kN/test_output_efield_z-0-e.k16.b08.z.tm.h5... /tmp/meepREy4kN/test_output_efield_z-0: 0.97s /tmp/meepREy4kN/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013837814331054688 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14106345176696777 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3931407928466797 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08719968795776367 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07880949974060059 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09128355979919434 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14223504066467285 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10734820365905762 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09135270118713379 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07882094383239746 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07522010803222656 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07527327537536621 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.059449195861816406 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06902146339416504 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09428715705871582 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11052584648132324 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24754571914672852 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.945117712020874 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepREy4kN/test_output_field_to_file-0-epsilon.h5... /tmp/meepREy4kN/test_output_field_to_file-0: 1.96s /tmp/meepREy4kN/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013704299926757812 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13988685607910156 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3880741596221924 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.0857234001159668 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07868814468383789 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09131908416748047 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.142045259475708 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10768914222717285 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09148859977722168 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0786581039428711 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07541465759277344 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07566547393798828 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05977034568786621 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06919503211975098 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09443473815917969 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11079955101013184 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24732756614685059 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.938671350479126 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 Outputting /tmp/meepREy4kN/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 ./tmp/meepREy4kN/test_output_tot_pwr-0: 1.94s /tmp/meepREy4kN/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.030200481414794922 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50 Solving for bands 1 to 10... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 0.9773582023559163 (198.958% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3161530410987907 (102.234% change) linmin: converged after 6 iterations. iteration 3: trace = 0.275770780541823 (13.6444% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2578977888964539 (6.69816% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2538047517632808 (1.59977% change) linmin: converged after 5 iterations. iteration 6: trace = 0.252521666448504 (0.506821% change) linmin: converged after 7 iterations. iteration 7: trace = 0.2513324422133906 (0.472051% change) linmin: converged after 5 iterations. iteration 8: trace = 0.250524545611766 (0.321963% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2503563741415212 (0.0671503% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2503392642292798 (0.00683446% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2503364696617258 (0.00111632% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2503356979333106 (0.000308277% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2503350629329613 (0.00025366% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2503346861323358 (0.000150519% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2503342765388505 (0.000163618% change) large trace change predicted (0.000678429%) linmin: converged after 5 iterations. iteration 16: trace = 0.2503325842641612 (0.000676008% change) large trace change predicted (0.00631306%) linmin: converged after 5 iterations. iteration 17: trace = 0.2503200648277745 (0.00500125% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2503038592917609 (0.00647414% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2502978020836445 (0.00241997% change) linmin: converged after 4 iterations. iteration 20: trace = 0.2502965572166423 (0.000497356% change) linmin: converged after 3 iterations. iteration 21: trace = 0.250295870716234 (0.000274275% change) linmin: converged after 5 iterations. iteration 22: trace = 0.2502955615722041 (0.000123512% change) linmin: converged after 5 iterations. iteration 23: trace = 0.2502955228253114 (1.54805e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.2502955176855845 (2.05346e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.2502955170624709 (2.48951e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 0.250295516776108 (1.1441e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.2502955164556004 (1.28052e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.2502955162302424 (9.00368e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.2502955158423098 (1.5499e-07% change) large trace change predicted (7.06242e-07%) linmin: converged after 4 iterations. iteration 30: trace = 0.2502955140746217 (7.0624e-07% change) large trace change predicted (1.92421e-06%) linmin: converged after 5 iterations. iteration 31: trace = 0.2502955092582698 (1.92427e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 0.2502955074678371 (7.15328e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2502955071409597 (1.30597e-07% change) linmin: converged after 5 iterations. iteration 34: trace = 0.2502955070820969 (2.35173e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.2502955070452446 (1.47235e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.2502955070312232 (5.60196e-09% change) linmin: converged after 6 iterations. iteration 37: trace = 0.2502955070289656 (9.01967e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.2502955070287197 (9.82274e-11% change) Finished solving for bands 1 to 10 after 38 iterations. Solving for bands 11 to 20... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 2.764077242282496 (197.059% change) linmin: converged after 9 iterations. iteration 2: trace = 0.7088244637206618 (118.359% change) linmin: converged after 10 iterations. iteration 3: trace = 0.5830461774916993 (19.4723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.5699441115556886 (2.27271% change) linmin: converged after 5 iterations. iteration 5: trace = 0.5601912957140796 (1.72596% change) linmin: converged after 6 iterations. iteration 6: trace = 0.554977005635624 (0.935158% change) linmin: converged after 4 iterations. iteration 7: trace = 0.5536217797509715 (0.244493% change) linmin: converged after 5 iterations. iteration 8: trace = 0.5527881756235467 (0.150686% change) linmin: converged after 5 iterations. iteration 9: trace = 0.5525197785497575 (0.0485651% change) linmin: converged after 5 iterations. iteration 10: trace = 0.5524120847066949 (0.0194933% change) linmin: converged after 5 iterations. iteration 11: trace = 0.5523393402697568 (0.0131694% change) linmin: converged after 4 iterations. iteration 12: trace = 0.5523162607162734 (0.0041786% change) linmin: converged after 5 iterations. iteration 13: trace = 0.5523079347092207 (0.00150748% change) linmin: converged after 6 iterations. iteration 14: trace = 0.5523053045770734 (0.000476209% change) linmin: converged after 5 iterations. iteration 15: trace = 0.5523046348502885 (0.00012126% change) linmin: converged after 5 iterations. iteration 16: trace = 0.5523044939040401 (2.55197e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 0.5523044363704386 (1.0417e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.5523044197503095 (3.00923e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 0.5523044169604693 (5.05127e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 0.5523044161634481 (1.44308e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 0.5523044158163604 (6.28435e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 0.5523044156915484 (2.25984e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 0.5523044156387963 (9.55128e-09% change) linmin: converged after 9 iterations. iteration 24: trace = 0.5523044156091683 (5.36443e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.5523044156002892 (1.60765e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.5523044155970435 (5.87672e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.5523044155956081 (2.59894e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 0.552304415595374 (4.23743e-11% change) Finished solving for bands 11 to 20 after 28 iterations. Solving for bands 21 to 30... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.040666553138821 (194.661% change) linmin: converged after 9 iterations. iteration 2: trace = 1.784736938401247 (95.4062% change) linmin: converged after 5 iterations. iteration 3: trace = 1.523333414368856 (15.804% change) linmin: converged after 5 iterations. iteration 4: trace = 1.441532080001039 (5.51805% change) linmin: converged after 5 iterations. iteration 5: trace = 1.405219437466541 (2.55116% change) linmin: converged after 5 iterations. iteration 6: trace = 1.388014989232303 (1.23187% change) linmin: converged after 5 iterations. iteration 7: trace = 1.376962867982376 (0.799437% change) linmin: converged after 5 iterations. iteration 8: trace = 1.37268195131882 (0.31138% change) linmin: converged after 5 iterations. iteration 9: trace = 1.370878341061495 (0.13148% change) linmin: converged after 4 iterations. iteration 10: trace = 1.370189509318599 (0.0502601% change) linmin: converged after 4 iterations. iteration 11: trace = 1.369866378231612 (0.0235857% change) linmin: converged after 4 iterations. iteration 12: trace = 1.369627804103043 (0.0174174% change) linmin: converged after 4 iterations. iteration 13: trace = 1.369391088200206 (0.0172847% change) linmin: converged after 5 iterations. iteration 14: trace = 1.369169936423073 (0.0161509% change) linmin: converged after 5 iterations. iteration 15: trace = 1.369039043718526 (0.00956046% change) linmin: converged after 4 iterations. iteration 16: trace = 1.36896709991595 (0.0052552% change) linmin: converged after 4 iterations. iteration 17: trace = 1.368919763117032 (0.00345791% change) linmin: converged after 4 iterations. iteration 18: trace = 1.368881565102084 (0.00279042% change) linmin: converged after 5 iterations. iteration 19: trace = 1.368847148217092 (0.00251427% change) linmin: converged after 5 iterations. iteration 20: trace = 1.368816057044509 (0.00227137% change) linmin: converged after 7 iterations. iteration 21: trace = 1.368795335803253 (0.00151382% change) linmin: converged after 6 iterations. iteration 22: trace = 1.368783116283498 (0.000892725% change) linmin: converged after 4 iterations. iteration 23: trace = 1.368774313878865 (0.000643085% change) linmin: converged after 5 iterations. iteration 24: trace = 1.36876702717065 (0.000532354% change) linmin: converged after 7 iterations. iteration 25: trace = 1.368760736433417 (0.000459593% change) linmin: converged after 8 iterations. iteration 26: trace = 1.368755530414703 (0.000380346% change) linmin: converged after 5 iterations. iteration 27: trace = 1.368752119509855 (0.000249198% change) linmin: converged after 5 iterations. iteration 28: trace = 1.368749700078314 (0.000176762% change) linmin: converged after 13 iterations. iteration 29: trace = 1.368747854834259 (0.000134812% change) linmin: converged after 4 iterations. iteration 30: trace = 1.368746241521253 (0.000117868% change) linmin: converged after 5 iterations. iteration 31: trace = 1.368745103675057 (8.31306e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.368744406365467 (5.09452e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.368744106172826 (2.1932e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.36874397809044 (9.35766e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 1.368743922574262 (4.05599e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 1.368743896765322 (1.88559e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 1.368743884092236 (9.25892e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 1.368743877674393 (4.68886e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.368743873564827 (3.00244e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 1.368743870515095 (2.22812e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 1.368743865625254 (3.5725e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 1.368743856077474 (6.97558e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 1.368743837481702 (1.3586e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 1.368743804106323 (2.43839e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.368743762212519 (3.06075e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 1.368743718468747 (3.19591e-06% change) linmin: converged after 5 iterations. iteration 47: trace = 1.368743667116035 (3.75181e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 1.368743567909835 (7.24798e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 1.368743413508752 (1.12805e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 1.368743170382022 (1.77628e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.368742909640436 (1.90497e-05% change) linmin: converged after 6 iterations. iteration 52: trace = 1.368742678084064 (1.69174e-05% change) linmin: converged after 7 iterations. iteration 53: trace = 1.368742429352863 (1.81722e-05% change) linmin: converged after 11 iterations. iteration 54: trace = 1.368741979799262 (3.28443e-05% change) large trace change predicted (7.74578e-05%) linmin: converged after 5 iterations. iteration 55: trace = 1.368740938896419 (7.60482e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 1.368739090064356 (0.000135075% change) linmin: converged after 8 iterations. iteration 57: trace = 1.368737088985244 (0.000146199% change) linmin: converged after 5 iterations. iteration 58: trace = 1.368735675184446 (0.000103292% change) linmin: converged after 8 iterations. iteration 59: trace = 1.36873489139564 (5.72637e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 1.368734383052895 (3.71396e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 1.368733869799367 (3.74984e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 1.368733229784598 (4.67596e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.368732612888608 (4.50706e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 1.368732103624983 (3.7207e-05% change) linmin: converged after 9 iterations. iteration 65: trace = 1.36873178435718 (2.33258e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 1.368731593555578 (1.394e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 1.368731481643516 (8.17633e-06% change) linmin: converged after 5 iterations. iteration 68: trace = 1.368731406757154 (5.47122e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.368731346620766 (4.39359e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.368731326396683 (1.47758e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.368731305812751 (1.50387e-06% change) linmin: converged after 3 iterations. iteration 72: trace = 1.368731292685496 (9.59082e-07% change) linmin: converged after 6 iterations. iteration 73: trace = 1.368731274190961 (1.35122e-06% change) linmin: converged after 2 iterations. iteration 74: trace = 1.36873124683439 (1.99868e-06% change) linmin: converged after 2 iterations. iteration 75: trace = 1.368731222076538 (1.80882e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 1.368731209365183 (9.28696e-07% change) linmin: converged after 2 iterations. iteration 77: trace = 1.368731204980154 (3.20372e-07% change) linmin: converged after 2 iterations. iteration 78: trace = 1.368731202164322 (2.05726e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 1.368731199544978 (1.9137e-07% change) linmin: converged after 2 iterations. iteration 80: trace = 1.368731196862976 (1.95948e-07% change) linmin: converged after 2 iterations. iteration 81: trace = 1.368731195121577 (1.27227e-07% change) linmin: converged after 2 iterations. iteration 82: trace = 1.368731194394966 (5.30864e-08% change) linmin: converged after 2 iterations. iteration 83: trace = 1.368731194038443 (2.60477e-08% change) linmin: converged after 3 iterations. iteration 84: trace = 1.368731193798584 (1.75242e-08% change) linmin: converged after 2 iterations. iteration 85: trace = 1.368731193444766 (2.58501e-08% change) linmin: converged after 2 iterations. iteration 86: trace = 1.368731192939273 (3.69315e-08% change) linmin: converged after 2 iterations. iteration 87: trace = 1.368731192445322 (3.60883e-08% change) linmin: converged after 3 iterations. iteration 88: trace = 1.368731191973515 (3.44704e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 1.3687311914594 (3.75614e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 1.368731190769489 (5.04052e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.368731189492628 (9.32879e-08% change) linmin: converged after 3 iterations. iteration 92: trace = 1.368731187985266 (1.10128e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 1.368731186086125 (1.38752e-07% change) linmin: converged after 6 iterations. iteration 94: trace = 1.36873118302204 (2.23863e-07% change) linmin: converged after 4 iterations. iteration 95: trace = 1.368731177617109 (3.94886e-07% change) large trace change predicted (9.62764e-07%) linmin: converged after 16 iterations. iteration 96: trace = 1.368731164440175 (9.62712e-07% change) large trace change predicted (1.97299e-06%) linmin: converged after 4 iterations. iteration 97: trace = 1.36873113743805 (1.97279e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 1.368731113438422 (1.75342e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 1.368731088527767 (1.81998e-06% change) linmin: converged after 6 iterations. iteration 100: trace = 1.368731069143642 (1.41621e-06% change) linmin: converged after 4 iterations. iteration 101: trace = 1.368731058828905 (7.53599e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 1.368731053231001 (4.08985e-07% change) linmin: converged after 14 iterations. iteration 103: trace = 1.368731050633044 (1.89808e-07% change) linmin: converged after 4 iterations. iteration 104: trace = 1.368731049719111 (6.67723e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 1.368731049381032 (2.47002e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 1.368731049212438 (1.23175e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 1.368731049112461 (7.30433e-09% change) linmin: converged after 5 iterations. iteration 108: trace = 1.368731049041643 (5.17401e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 1.368731048989907 (3.77985e-09% change) linmin: converged after 5 iterations. iteration 110: trace = 1.368731048949556 (2.94805e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 1.368731048927728 (1.59475e-09% change) linmin: converged after 7 iterations. iteration 112: trace = 1.368731048915437 (8.98038e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 1.368731048898766 (1.21795e-09% change) linmin: converged after 5 iterations. iteration 114: trace = 1.368731048867242 (2.3032e-09% change) large trace change predicted (6.63169e-09%) linmin: converged after 4 iterations. iteration 115: trace = 1.368731048776475 (6.63145e-09% change) large trace change predicted (2.53819e-08%) linmin: converged after 4 iterations. iteration 116: trace = 1.368731048429068 (2.53817e-08% change) large trace change predicted (6.62506e-08%) linmin: converged after 7 iterations. iteration 117: trace = 1.368731047522245 (6.62528e-08% change) linmin: converged after 5 iterations. iteration 118: trace = 1.368731045910584 (1.17749e-07% change) linmin: converged after 5 iterations. iteration 119: trace = 1.368731044212744 (1.24045e-07% change) linmin: converged after 4 iterations. iteration 120: trace = 1.368731043116591 (8.00853e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 1.368731041987232 (8.25114e-08% change) large trace change predicted (1.95931e-07%) linmin: converged after 7 iterations. iteration 122: trace = 1.368731039305491 (1.95929e-07% change) large trace change predicted (5.72233e-07%) linmin: converged after 5 iterations. iteration 123: trace = 1.368731031475412 (5.72069e-07% change) large trace change predicted (1.3697e-06%) linmin: converged after 5 iterations. iteration 124: trace = 1.368731012741541 (1.3687e-06% change) linmin: converged after 6 iterations. iteration 125: trace = 1.368730990264535 (1.64218e-06% change) linmin: converged after 8 iterations. iteration 126: trace = 1.368730976167249 (1.02995e-06% change) linmin: converged after 5 iterations. iteration 127: trace = 1.368730969434909 (4.91867e-07% change) linmin: converged after 5 iterations. iteration 128: trace = 1.368730962738434 (4.89247e-07% change) large trace change predicted (1.0363e-06%) linmin: converged after 5 iterations. iteration 129: trace = 1.368730948542338 (1.03717e-06% change) large trace change predicted (2.09757e-06%) linmin: converged after 5 iterations. iteration 130: trace = 1.368730919747172 (2.10379e-06% change) linmin: converged after 5 iterations. iteration 131: trace = 1.368730881719372 (2.77833e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 1.368730850739533 (2.2634e-06% change) linmin: converged after 5 iterations. iteration 133: trace = 1.368730836018361 (1.07553e-06% change) linmin: converged after 6 iterations. iteration 134: trace = 1.368730830348684 (4.14229e-07% change) linmin: converged after 3 iterations. iteration 135: trace = 1.36873082685028 (2.55595e-07% change) linmin: converged after 4 iterations. iteration 136: trace = 1.368730824073477 (2.02874e-07% change) linmin: converged after 5 iterations. iteration 137: trace = 1.368730822419339 (1.20852e-07% change) linmin: converged after 4 iterations. iteration 138: trace = 1.368730821974349 (3.25111e-08% change) linmin: converged after 5 iterations. iteration 139: trace = 1.368730821797337 (1.29325e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 1.36873082173381 (4.64129e-09% change) linmin: converged after 2 iterations. iteration 141: trace = 1.368730821659028 (5.46361e-09% change) linmin: converged after 12 iterations. iteration 142: trace = 1.368730821514677 (1.05463e-08% change) linmin: converged after 2 iterations. iteration 143: trace = 1.36873082127949 (1.71829e-08% change) linmin: converged after 2 iterations. iteration 144: trace = 1.368730821006482 (1.9946e-08% change) linmin: converged after 2 iterations. iteration 145: trace = 1.368730820791103 (1.57356e-08% change) linmin: converged after 3 iterations. iteration 146: trace = 1.368730820664076 (9.28066e-09% change) linmin: converged after 3 iterations. iteration 147: trace = 1.368730820561719 (7.47823e-09% change) linmin: converged after 2 iterations. iteration 148: trace = 1.368730820423973 (1.00638e-08% change) linmin: converged after 2 iterations. iteration 149: trace = 1.368730820282637 (1.0326e-08% change) linmin: converged after 6 iterations. iteration 150: trace = 1.368730820163353 (8.71496e-09% change) linmin: converged after 2 iterations. iteration 151: trace = 1.368730820033991 (9.45121e-09% change) large trace change predicted (1.90732e-08%) linmin: converged after 2 iterations. iteration 152: trace = 1.368730819772934 (1.90729e-08% change) linmin: converged after 2 iterations. iteration 153: trace = 1.368730819301536 (3.44406e-08% change) linmin: converged after 4 iterations. iteration 154: trace = 1.368730818650667 (4.75527e-08% change) linmin: converged after 2 iterations. iteration 155: trace = 1.368730817733782 (6.6988e-08% change) linmin: converged after 8 iterations. iteration 156: trace = 1.368730816601199 (8.27469e-08% change) linmin: converged after 4 iterations. iteration 157: trace = 1.368730814812392 (1.30691e-07% change) linmin: converged after 4 iterations. iteration 158: trace = 1.368730811403355 (2.49066e-07% change) linmin: converged after 7 iterations. iteration 159: trace = 1.368730806806086 (3.35878e-07% change) linmin: converged after 8 iterations. iteration 160: trace = 1.368730803017133 (2.76822e-07% change) linmin: converged after 3 iterations. iteration 161: trace = 1.368730799847216 (2.31595e-07% change) linmin: converged after 11 iterations. iteration 162: trace = 1.368730796328044 (2.57112e-07% change) linmin: converged after 8 iterations. iteration 163: trace = 1.368730793064505 (2.38435e-07% change) linmin: converged after 5 iterations. iteration 164: trace = 1.368730790362386 (1.97418e-07% change) linmin: converged after 3 iterations. iteration 165: trace = 1.36873078878541 (1.15214e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 1.368730787826099 (7.00877e-08% change) linmin: converged after 7 iterations. iteration 167: trace = 1.368730787041913 (5.7293e-08% change) linmin: converged after 5 iterations. iteration 168: trace = 1.368730786327404 (5.22023e-08% change) linmin: converged after 10 iterations. iteration 169: trace = 1.368730785825024 (3.6704e-08% change) linmin: converged after 4 iterations. iteration 170: trace = 1.368730785560769 (1.93066e-08% change) linmin: converged after 4 iterations. iteration 171: trace = 1.368730785470285 (6.6108e-09% change) linmin: converged after 5 iterations. iteration 172: trace = 1.368730785440339 (2.18785e-09% change) linmin: converged after 6 iterations. iteration 173: trace = 1.368730785430635 (7.08963e-10% change) linmin: converged after 3 iterations. iteration 174: trace = 1.368730785427708 (2.13912e-10% change) linmin: converged after 4 iterations. iteration 175: trace = 1.368730785426833 (6.38849e-11% change) Finished solving for bands 21 to 30 after 175 iterations. Solving for bands 31 to 40... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 7.230106530170506 (192.441% change) linmin: converged after 11 iterations. iteration 2: trace = 2.817364100690525 (87.8379% change) linmin: converged after 6 iterations. iteration 3: trace = 2.383772433885725 (16.673% change) linmin: converged after 6 iterations. iteration 4: trace = 2.264181950333428 (5.14594% change) linmin: converged after 12 iterations. iteration 5: trace = 2.205266188017869 (2.63638% change) linmin: converged after 5 iterations. iteration 6: trace = 2.183248748637495 (1.00341% change) linmin: converged after 5 iterations. iteration 7: trace = 2.173760375776314 (0.435545% change) linmin: converged after 5 iterations. iteration 8: trace = 2.167774122084664 (0.275767% change) linmin: converged after 5 iterations. iteration 9: trace = 2.16358040199555 (0.193645% change) linmin: converged after 5 iterations. iteration 10: trace = 2.159739056009329 (0.177704% change) linmin: converged after 4 iterations. iteration 11: trace = 2.15702209476702 (0.12588% change) linmin: converged after 4 iterations. iteration 12: trace = 2.155362898862326 (0.0769503% change) linmin: converged after 4 iterations. iteration 13: trace = 2.154174696420811 (0.0551429% change) linmin: converged after 5 iterations. iteration 14: trace = 2.153097711184035 (0.0500078% change) linmin: converged after 5 iterations. iteration 15: trace = 2.152356411443999 (0.0344354% change) linmin: converged after 5 iterations. iteration 16: trace = 2.151804495845252 (0.0256457% change) linmin: converged after 5 iterations. iteration 17: trace = 2.151338212081666 (0.0216718% change) linmin: converged after 4 iterations. iteration 18: trace = 2.151061653838748 (0.012856% change) linmin: converged after 5 iterations. iteration 19: trace = 2.150823283589471 (0.0110821% change) linmin: converged after 4 iterations. iteration 20: trace = 2.150656546131968 (0.00775256% change) linmin: converged after 4 iterations. iteration 21: trace = 2.150547247757261 (0.00508222% change) linmin: converged after 4 iterations. iteration 22: trace = 2.150480111512736 (0.00312187% change) linmin: converged after 4 iterations. iteration 23: trace = 2.150447077012171 (0.00153616% change) linmin: converged after 5 iterations. iteration 24: trace = 2.150426791487532 (0.000943321% change) linmin: converged after 4 iterations. iteration 25: trace = 2.150415527122207 (0.000523821% change) linmin: converged after 5 iterations. iteration 26: trace = 2.150409797922104 (0.000266423% change) linmin: converged after 5 iterations. iteration 27: trace = 2.150405288663566 (0.000209693% change) linmin: converged after 4 iterations. iteration 28: trace = 2.15040214025945 (0.00014641% change) linmin: converged after 5 iterations. iteration 29: trace = 2.150399521550649 (0.000121778% change) linmin: converged after 6 iterations. iteration 30: trace = 2.150396649501039 (0.000133559% change) linmin: converged after 6 iterations. iteration 31: trace = 2.150393098810755 (0.000165118% change) linmin: converged after 6 iterations. iteration 32: trace = 2.150387654321853 (0.000253186% change) linmin: converged after 7 iterations. iteration 33: trace = 2.150380790837795 (0.000319175% change) linmin: converged after 5 iterations. iteration 34: trace = 2.150373779095473 (0.00032607% change) linmin: converged after 6 iterations. iteration 35: trace = 2.150366763997729 (0.000326227% change) linmin: converged after 5 iterations. iteration 36: trace = 2.150359396527598 (0.000342615% change) linmin: converged after 4 iterations. iteration 37: trace = 2.150351903227359 (0.000348468% change) linmin: converged after 5 iterations. iteration 38: trace = 2.150343144221984 (0.00040733% change) linmin: converged after 4 iterations. iteration 39: trace = 2.150335244258529 (0.000367382% change) linmin: converged after 6 iterations. iteration 40: trace = 2.150328828056092 (0.000298382% change) linmin: converged after 6 iterations. iteration 41: trace = 2.150323123346729 (0.000265295% change) linmin: converged after 4 iterations. iteration 42: trace = 2.150319840811106 (0.000152653% change) linmin: converged after 3 iterations. iteration 43: trace = 2.150317369675977 (0.000114919% change) linmin: converged after 3 iterations. iteration 44: trace = 2.150315485730016 (8.76125e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 2.150314485092851 (4.65344e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 2.150313850319529 (2.952e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 2.150313567745016 (1.31411e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 2.150313402387604 (7.68992e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 2.150313290592575 (5.19901e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 2.150313233309788 (2.66393e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 2.150313205104017 (1.31171e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 2.150313191063011 (6.52975e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.15031318315574 (3.67726e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 2.150313178005872 (2.39494e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 2.15031317468392 (1.54487e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 2.15031317298649 (7.89387e-08% change) linmin: converged after 3 iterations. iteration 57: trace = 2.150313171839945 (5.33199e-08% change) linmin: converged after 4 iterations. iteration 58: trace = 2.150313171038808 (3.72568e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 2.150313170618584 (1.95424e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 2.150313170310127 (1.43447e-08% change) linmin: converged after 2 iterations. iteration 61: trace = 2.15031317007892 (1.07523e-08% change) linmin: converged after 2 iterations. iteration 62: trace = 2.150313169876843 (9.39756e-09% change) linmin: converged after 3 iterations. iteration 63: trace = 2.150313169681186 (9.09903e-09% change) linmin: converged after 8 iterations. iteration 64: trace = 2.15031316952697 (7.17178e-09% change) linmin: converged after 2 iterations. iteration 65: trace = 2.150313169349206 (8.26689e-09% change) linmin: converged after 3 iterations. iteration 66: trace = 2.150313169164314 (8.59838e-09% change) linmin: converged after 2 iterations. iteration 67: trace = 2.150313168971394 (8.97169e-09% change) linmin: converged after 5 iterations. iteration 68: trace = 2.150313168726532 (1.13873e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 2.150313168487834 (1.11006e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.150313168383634 (4.84582e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 2.150313168199778 (8.5502e-09% change) linmin: converged after 5 iterations. iteration 72: trace = 2.150313168067435 (6.15461e-09% change) linmin: converged after 2 iterations. iteration 73: trace = 2.150313167954971 (5.23009e-09% change) linmin: converged after 2 iterations. iteration 74: trace = 2.150313167848819 (4.9366e-09% change) linmin: converged after 3 iterations. iteration 75: trace = 2.150313167774826 (3.44105e-09% change) linmin: converged after 2 iterations. iteration 76: trace = 2.150313167690865 (3.90457e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 2.150313167606671 (3.91543e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 2.150313167537179 (3.23173e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 2.150313167461771 (3.50684e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 2.150313167391707 (3.25831e-09% change) linmin: converged after 2 iterations. iteration 81: trace = 2.150313167302679 (4.14023e-09% change) linmin: converged after 2 iterations. iteration 82: trace = 2.150313167174394 (5.96587e-09% change) linmin: converged after 2 iterations. iteration 83: trace = 2.150313167057197 (5.45023e-09% change) linmin: converged after 2 iterations. iteration 84: trace = 2.150313166919648 (6.39672e-09% change) linmin: converged after 2 iterations. iteration 85: trace = 2.150313166760828 (7.38586e-09% change) linmin: converged after 3 iterations. iteration 86: trace = 2.150313166660208 (4.67932e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 2.150313166582061 (3.63425e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 2.15031316651592 (3.07587e-09% change) linmin: converged after 5 iterations. iteration 89: trace = 2.150313166475563 (1.87678e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 2.150313166453092 (1.04503e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 2.150313166442374 (4.98443e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 2.150313166436357 (2.79818e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 2.150313166432015 (2.01938e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 2.150313166429914 (9.76854e-11% change) Finished solving for bands 31 to 40 after 94 iterations. Solving for bands 41 to 50... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 8.54561533283516 (191.103% change) linmin: converged after 9 iterations. iteration 2: trace = 3.261177039207398 (89.5152% change) linmin: converged after 6 iterations. iteration 3: trace = 2.73543054489073 (17.5348% change) linmin: converged after 6 iterations. iteration 4: trace = 2.599623148721098 (5.09114% change) linmin: converged after 10 iterations. iteration 5: trace = 2.527777747030367 (2.80241% change) linmin: converged after 6 iterations. iteration 6: trace = 2.48697195409586 (1.62743% change) linmin: converged after 5 iterations. iteration 7: trace = 2.468814609174601 (0.732773% change) linmin: converged after 7 iterations. iteration 8: trace = 2.458529975618113 (0.417451% change) linmin: converged after 5 iterations. iteration 9: trace = 2.452010579592671 (0.265527% change) linmin: converged after 5 iterations. iteration 10: trace = 2.44695192498564 (0.206519% change) linmin: converged after 5 iterations. iteration 11: trace = 2.443000266960076 (0.161624% change) linmin: converged after 4 iterations. iteration 12: trace = 2.440801969572049 (0.090024% change) linmin: converged after 4 iterations. iteration 13: trace = 2.439651933403517 (0.0471282% change) linmin: converged after 5 iterations. iteration 14: trace = 2.438794406518084 (0.0351557% change) linmin: converged after 5 iterations. iteration 15: trace = 2.438022839070599 (0.0316423% change) linmin: converged after 5 iterations. iteration 16: trace = 2.43731423966883 (0.0290687% change) linmin: converged after 5 iterations. iteration 17: trace = 2.436427459297366 (0.0363901% change) linmin: converged after 5 iterations. iteration 18: trace = 2.435606085478923 (0.0337179% change) linmin: converged after 5 iterations. iteration 19: trace = 2.435080538992132 (0.02158% change) linmin: converged after 5 iterations. iteration 20: trace = 2.434730917248482 (0.0143587% change) linmin: converged after 5 iterations. iteration 21: trace = 2.434515499878323 (0.00884808% change) linmin: converged after 4 iterations. iteration 22: trace = 2.434390164757964 (0.00514839% change) linmin: converged after 4 iterations. iteration 23: trace = 2.434289948271563 (0.00411678% change) linmin: converged after 4 iterations. iteration 24: trace = 2.43421517112559 (0.00307187% change) linmin: converged after 4 iterations. iteration 25: trace = 2.434151151333727 (0.00263003% change) linmin: converged after 5 iterations. iteration 26: trace = 2.434099390081217 (0.00212648% change) linmin: converged after 4 iterations. iteration 27: trace = 2.434069521772944 (0.00122709% change) linmin: converged after 4 iterations. iteration 28: trace = 2.434051894882334 (0.000724176% change) linmin: converged after 6 iterations. iteration 29: trace = 2.434040921125313 (0.000450844% change) linmin: converged after 5 iterations. iteration 30: trace = 2.434034872446438 (0.000248504% change) linmin: converged after 6 iterations. iteration 31: trace = 2.4340311347368 (0.00015356% change) linmin: converged after 5 iterations. iteration 32: trace = 2.434028967791745 (8.9027e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 2.434027725438828 (5.1041e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 2.434026886621372 (3.44621e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 2.434026138719075 (3.0727e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 2.434025450962204 (2.82559e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 2.434024951067755 (2.05378e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 2.434024674081352 (1.13798e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 2.434024546245138 (5.25205e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 2.43402447271568 (3.0209e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 2.43402442264887 (2.05696e-06% change) linmin: converged after 16 iterations. iteration 42: trace = 2.434024388303356 (1.41106e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 2.434024363248842 (1.02935e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 2.434024345054834 (7.47487e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 2.434024334364265 (4.39214e-07% change) linmin: converged after 6 iterations. iteration 46: trace = 2.434024326949267 (3.04639e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 2.434024320899892 (2.48534e-07% change) linmin: converged after 2 iterations. iteration 48: trace = 2.434024317216973 (1.5131e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 2.434024315167457 (8.42028e-08% change) linmin: converged after 2 iterations. iteration 50: trace = 2.434024314139083 (4.225e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 2.434024313590412 (2.25417e-08% change) linmin: converged after 2 iterations. iteration 52: trace = 2.434024313235237 (1.45921e-08% change) linmin: converged after 2 iterations. iteration 53: trace = 2.434024312972156 (1.08085e-08% change) linmin: converged after 2 iterations. iteration 54: trace = 2.434024312720115 (1.03549e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 2.434024312512642 (8.52389e-09% change) linmin: converged after 2 iterations. iteration 56: trace = 2.434024312381686 (5.38021e-09% change) linmin: converged after 5 iterations. iteration 57: trace = 2.434024312305557 (3.1277e-09% change) linmin: converged after 5 iterations. iteration 58: trace = 2.43402431226277 (1.75786e-09% change) linmin: converged after 5 iterations. iteration 59: trace = 2.434024312237418 (1.04159e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 2.434024312222994 (5.926e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 2.434024312214691 (3.4111e-10% change) linmin: converged after 4 iterations. iteration 62: trace = 2.434024312208376 (2.59427e-10% change) linmin: converged after 4 iterations. iteration 63: trace = 2.434024312203916 (1.83253e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 2.434024312200633 (1.34886e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 2.434024312198264 (9.73374e-11% change) Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 80 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 elapsed time for k point: 31.9497811794281 total elapsed time for run: 31.98018479347229 done Fixing e-field (band 25) phase by -0.24413 + -0.969743i; max ampl. = 0.816569 Outputting fields to /tmp/meepREy4kN/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + 2.70339e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006834745407104492 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995298 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250459154 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086656919 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.0110030162695962 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179290455 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.0101531458712683 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074295762101 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132157818467 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130039205466 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074091853987 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651738028323 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00744432729098274 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846082473489 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117068908677 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744046671679 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992996928429 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800011462347 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187549096868 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578168133488 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994952417877 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329233775762 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389227541902 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565557764014 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783466733805 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164734631855 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836574243196 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194884514588 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126406214108 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039545076355 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940877716805 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900209262322 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051991039538 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730330194419 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677849314165 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458767243676 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426018734292 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940775452601 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482749761328 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.00203481187534167 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048309856952 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.00185832050557658 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707942128221 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450547252923 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503970627782 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689303286632 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618688454 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457823109 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456499506636 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847711346 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207645533782 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.001230391786619745 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986363794925 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.00115248694587591 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112377774731 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292856449817 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332550532409 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132371032226 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701148277678 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884174844436 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.000874757439243248 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0008583544664514737 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113279837489 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380190685438 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477213842137 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627298126695 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000767219441475719 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123535870173 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232467670601 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718792198771 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040602905039 (5.44408% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704219718236 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027046157548 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658432335563 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272313909961 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356679372165 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395880423197 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602131959129 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389668073831 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305337104067 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074244622806 (0.095549% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008038963863 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.000435791942494028 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.000432462329684045 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730210272 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775599662793 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886192328498 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.000423453578635157 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426025476582 (0.0498351% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.000421757921823284 (0.351404% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658762294467 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438052718286 (0.26703% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306122548561 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953845214169 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102365137 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146479140429 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654538547 (0.118317% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953517182827 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835437604056 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361075745 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047469032 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861672964403 (0.0080917% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.000415015769837011 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907927671911 (0.00601852% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628361953296 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394187770554 (0.00564614% change) large trace change predicted (0.0338927%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939304534 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269721607 (0.00158394% change) large trace change predicted (0.0368809%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394958770213 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526280264 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.000414300372581812 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990238712 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401081156 (0.040887% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257883983192 (0.000519577% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987592697 (0.00468217% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000414104237397629 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493238772 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758299471 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443903279 (0.00913783% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873450954302 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345024138 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689703828329 (0.000788491% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555727229 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371795921 (0.000101075% change) large trace change predicted (0.000893308%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390507014 (0.000893392% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541907386 (0.000576138% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539578887 (0.000748963% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.000413932810794674 (0.000511317% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232519382 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983427008 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212288972 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change) large trace change predicted (0.000224737%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391436693 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056153959 (0.000225529% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559419639 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change) large trace change predicted (7.61596e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.000413926105533619 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change) large trace change predicted (7.23447e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894459899 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.000413923952211523 (2.88712e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 0.6861393451690674 total elapsed time for run: 0.6930677890777588 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0064203739166259766 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995298 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250459154 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086656919 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.0110030162695962 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179290455 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.0101531458712683 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074295762101 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132157818467 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130039205466 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074091853987 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651738028323 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00744432729098274 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846082473489 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117068908677 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744046671679 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992996928429 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800011462347 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187549096868 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578168133488 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994952417877 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329233775762 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389227541902 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565557764014 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783466733805 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164734631855 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836574243196 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194884514588 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126406214108 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039545076355 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940877716805 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900209262322 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051991039538 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730330194419 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677849314165 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458767243676 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426018734292 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940775452601 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482749761328 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.00203481187534167 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048309856952 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.00185832050557658 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707942128221 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450547252923 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503970627782 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689303286632 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618688454 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457823109 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456499506636 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847711346 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207645533782 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.001230391786619745 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986363794925 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.00115248694587591 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112377774731 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292856449817 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332550532409 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132371032226 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701148277678 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884174844436 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.000874757439243248 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0008583544664514737 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113279837489 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380190685438 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477213842137 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627298126695 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000767219441475719 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123535870173 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232467670601 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718792198771 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040602905039 (5.44408% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704219718236 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027046157548 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658432335563 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272313909961 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356679372165 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395880423197 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602131959129 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389668073831 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305337104067 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074244622806 (0.095549% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008038963863 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.000435791942494028 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.000432462329684045 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730210272 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775599662793 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886192328498 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.000423453578635157 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426025476582 (0.0498351% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.000421757921823284 (0.351404% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658762294467 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438052718286 (0.26703% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306122548561 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953845214169 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102365137 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146479140429 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654538547 (0.118317% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953517182827 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835437604056 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361075745 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047469032 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861672964403 (0.0080917% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.000415015769837011 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907927671911 (0.00601852% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628361953296 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394187770554 (0.00564614% change) large trace change predicted (0.0338927%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939304534 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269721607 (0.00158394% change) large trace change predicted (0.0368809%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394958770213 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526280264 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.000414300372581812 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990238712 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401081156 (0.040887% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257883983192 (0.000519577% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987592697 (0.00468217% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000414104237397629 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493238772 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758299471 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443903279 (0.00913783% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873450954302 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345024138 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689703828329 (0.000788491% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555727229 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371795921 (0.000101075% change) large trace change predicted (0.000893308%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390507014 (0.000893392% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541907386 (0.000576138% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539578887 (0.000748963% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.000413932810794674 (0.000511317% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232519382 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983427008 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212288972 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change) large trace change predicted (0.000224737%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391436693 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056153959 (0.000225529% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559419639 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change) large trace change predicted (7.61596e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.000413926105533619 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change) large trace change predicted (7.23447e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894459899 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.000413923952211523 (2.88712e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 0.6860909461975098 total elapsed time for run: 0.6925852298736572 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.00647735595703125 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139704128560643 (199.998% change) linmin: converged after 5 iterations. iteration 2: trace = 0.01325247935111975 (5.27448% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01309864585223207 (1.16757% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01180419769830925 (10.396% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01092171084968943 (7.76635% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0104832362042705 (4.09695% change) linmin: converged after 6 iterations. iteration 7: trace = 0.01024244099014652 (2.32364% change) linmin: converged after 9 iterations. iteration 8: trace = 0.009296726181321038 (9.6802% change) linmin: converged after 5 iterations. iteration 9: trace = 0.009092549250416949 (2.22061% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008877950458103788 (2.38835% change) linmin: converged after 6 iterations. iteration 11: trace = 0.008191259878067776 (8.04596% change) linmin: converged after 4 iterations. iteration 12: trace = 0.008096286457343976 (1.16621% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007980245656617101 (1.4436% change) linmin: converged after 6 iterations. iteration 14: trace = 0.007633080390827254 (4.44704% change) linmin: converged after 4 iterations. iteration 15: trace = 0.007551101189687394 (1.0798% change) linmin: converged after 3 iterations. iteration 16: trace = 0.007469146928803855 (1.09125% change) large trace change predicted (3.9796%) linmin: converged after 6 iterations. iteration 17: trace = 0.007061705120440128 (5.60795% change) linmin: converged after 4 iterations. iteration 18: trace = 0.006903078386241062 (2.27181% change) linmin: converged after 4 iterations. iteration 19: trace = 0.006883599985888954 (0.282568% change) large trace change predicted (0.911153%) linmin: converged after 4 iterations. iteration 20: trace = 0.00681525517829826 (0.997818% change) large trace change predicted (3.64606%) linmin: converged after 6 iterations. iteration 21: trace = 0.006414667864077147 (6.05578% change) linmin: converged after 5 iterations. iteration 22: trace = 0.006179070463155562 (3.7415% change) linmin: converged after 3 iterations. iteration 23: trace = 0.006123365667045719 (0.90559% change) large trace change predicted (1.96323%) linmin: converged after 4 iterations. iteration 24: trace = 0.005987920414037494 (2.23668% change) linmin: converged after 5 iterations. iteration 25: trace = 0.00577045887794577 (3.69884% change) linmin: converged after 3 iterations. iteration 26: trace = 0.005717242846854336 (0.926487% change) linmin: converged after 3 iterations. iteration 27: trace = 0.005689514766158294 (0.486169% change) large trace change predicted (2.33743%) linmin: converged after 5 iterations. iteration 28: trace = 0.005515593855524939 (3.10431% change) linmin: converged after 5 iterations. iteration 29: trace = 0.004998906369241024 (9.82809% change) linmin: converged after 6 iterations. iteration 30: trace = 0.0047750227468392 (4.58124% change) linmin: converged after 3 iterations. iteration 31: trace = 0.004746932747066135 (0.590005% change) linmin: converged after 3 iterations. iteration 32: trace = 0.004704286249534733 (0.902455% change) large trace change predicted (2.70435%) linmin: converged after 4 iterations. iteration 33: trace = 0.004559634268193689 (3.12291% change) linmin: converged after 3 iterations. iteration 34: trace = 0.004505785235730644 (1.18801% change) linmin: converged after 4 iterations. iteration 35: trace = 0.004486716278660491 (0.424108% change) large trace change predicted (1.65013%) linmin: converged after 4 iterations. iteration 36: trace = 0.004403659935361575 (1.86846% change) linmin: converged after 5 iterations. iteration 37: trace = 0.00427652681574679 (2.92927% change) linmin: converged after 3 iterations. iteration 38: trace = 0.004241792311810986 (0.815525% change) linmin: converged after 3 iterations. iteration 39: trace = 0.004212672878610267 (0.688853% change) large trace change predicted (2.6159%) linmin: converged after 5 iterations. iteration 40: trace = 0.004078307839058333 (3.24123% change) linmin: converged after 5 iterations. iteration 41: trace = 0.003921854172378827 (3.91126% change) linmin: converged after 3 iterations. iteration 42: trace = 0.003887258230778637 (0.88604% change) linmin: converged after 4 iterations. iteration 43: trace = 0.003877595631595188 (0.24888% change) large trace change predicted (0.564259%) linmin: converged after 3 iterations. iteration 44: trace = 0.003854774509315449 (0.590275% change) linmin: converged after 4 iterations. iteration 45: trace = 0.003806743759075903 (1.25382% change) linmin: converged after 3 iterations. iteration 46: trace = 0.003784645770881508 (0.582186% change) linmin: converged after 4 iterations. iteration 47: trace = 0.003772030283002335 (0.33389% change) large trace change predicted (1.10169%) linmin: converged after 3 iterations. iteration 48: trace = 0.003727677192100772 (1.1828% change) large trace change predicted (2.54483%) linmin: converged after 5 iterations. iteration 49: trace = 0.003617159141799081 (3.00941% change) linmin: converged after 4 iterations. iteration 50: trace = 0.003566314305240271 (1.41561% change) linmin: converged after 3 iterations. iteration 51: trace = 0.003555267782136195 (0.310227% change) linmin: converged after 3 iterations. iteration 52: trace = 0.003544772930972855 (0.295628% change) large trace change predicted (0.882197%) linmin: converged after 4 iterations. iteration 53: trace = 0.003511336163544016 (0.94774% change) linmin: converged after 4 iterations. iteration 54: trace = 0.003474290018800834 (1.06064% change) linmin: converged after 3 iterations. iteration 55: trace = 0.003461055304604568 (0.38166% change) linmin: converged after 3 iterations. iteration 56: trace = 0.003450064076673498 (0.318074% change) large trace change predicted (0.959984%) linmin: converged after 4 iterations. iteration 57: trace = 0.003414599750455045 (1.03324% change) linmin: converged after 4 iterations. iteration 58: trace = 0.003355264791946304 (1.75291% change) linmin: converged after 3 iterations. iteration 59: trace = 0.003328832118899126 (0.790912% change) linmin: converged after 3 iterations. iteration 60: trace = 0.003316361826965426 (0.375318% change) large trace change predicted (0.782533%) linmin: converged after 3 iterations. iteration 61: trace = 0.003288989405475136 (0.828795% change) large trace change predicted (1.92333%) linmin: converged after 4 iterations. iteration 62: trace = 0.003216637088435873 (2.2243% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0031633288891235 (1.67111% change) linmin: converged after 3 iterations. iteration 64: trace = 0.003147796524626722 (0.492222% change) linmin: converged after 3 iterations. iteration 65: trace = 0.003138735020054819 (0.288283% change) large trace change predicted (0.631443%) linmin: converged after 3 iterations. iteration 66: trace = 0.003117908288074134 (0.665748% change) linmin: converged after 4 iterations. iteration 67: trace = 0.003080073611720689 (1.22087% change) linmin: converged after 3 iterations. iteration 68: trace = 0.003057130980387658 (0.747657% change) linmin: converged after 3 iterations. iteration 69: trace = 0.003044853183462938 (0.40242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.003040645554072147 (0.138284% change) large trace change predicted (0.662844%) linmin: converged after 3 iterations. iteration 71: trace = 0.003020737913830766 (0.656868% change) large trace change predicted (3.15233%) linmin: converged after 4 iterations. iteration 72: trace = 0.00292930566739102 (3.07333% change) linmin: converged after 3 iterations. iteration 73: trace = 0.002880127581963598 (1.69304% change) large trace change predicted (4.94794%) linmin: converged after 4 iterations. iteration 74: trace = 0.002741582966748026 (4.92891% change) linmin: converged after 4 iterations. iteration 75: trace = 0.002701516927257924 (1.47218% change) linmin: converged after 3 iterations. iteration 76: trace = 0.002680059245967761 (0.79745% change) linmin: converged after 3 iterations. iteration 77: trace = 0.002654711663958115 (0.950278% change) linmin: converged after 4 iterations. iteration 78: trace = 0.00263395315502916 (0.785019% change) linmin: converged after 4 iterations. iteration 79: trace = 0.002632703149905708 (0.0474686% change) large trace change predicted (1.11881%) linmin: converged after 3 iterations. iteration 80: trace = 0.002603510908529128 (1.11501% change) linmin: converged after 4 iterations. iteration 81: trace = 0.002602852951166054 (0.0252751% change) large trace change predicted (1.98243%) linmin: converged after 4 iterations. iteration 82: trace = 0.002546719623661904 (2.18012% change) linmin: converged after 4 iterations. iteration 83: trace = 0.002545931326038623 (0.0309582% change) large trace change predicted (0.28249%) linmin: converged after 4 iterations. iteration 84: trace = 0.002538665650581014 (0.285792% change) linmin: converged after 4 iterations. iteration 85: trace = 0.002531307083978984 (0.29028% change) linmin: converged after 4 iterations. iteration 86: trace = 0.002525454518374927 (0.231475% change) linmin: converged after 4 iterations. iteration 87: trace = 0.002519246691417378 (0.246113% change) linmin: converged after 4 iterations. iteration 88: trace = 0.002518419308579481 (0.0328479% change) large trace change predicted (0.184395%) linmin: converged after 4 iterations. iteration 89: trace = 0.002513730250763979 (0.186364% change) linmin: converged after 4 iterations. iteration 90: trace = 0.002512968998810526 (0.0302883% change) large trace change predicted (0.217796%) linmin: converged after 4 iterations. iteration 91: trace = 0.002507432797603135 (0.220548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.002507213225727589 (0.00875722% change) large trace change predicted (0.5147%) linmin: converged after 4 iterations. iteration 93: trace = 0.002493995010863174 (0.528601% change) linmin: converged after 4 iterations. iteration 94: trace = 0.002493329897761381 (0.0266721% change) large trace change predicted (1.39143%) linmin: converged after 4 iterations. iteration 95: trace = 0.002455039003712123 (1.54762% change) linmin: converged after 3 iterations. iteration 96: trace = 0.002452511872111521 (0.10299% change) large trace change predicted (0.991276%) linmin: converged after 4 iterations. iteration 97: trace = 0.002425130456922245 (1.12273% change) linmin: converged after 3 iterations. iteration 98: trace = 0.002414082465642957 (0.456603% change) large trace change predicted (2.45505%) linmin: converged after 6 iterations. iteration 99: trace = 0.00232926143884425 (3.57642% change) linmin: converged after 3 iterations. iteration 100: trace = 0.002325777946603649 (0.149665% change) large trace change predicted (2.34227%) linmin: converged after 6 iterations. iteration 101: trace = 0.002229897091235998 (4.20929% change) linmin: converged after 3 iterations. iteration 102: trace = 0.002223845139965056 (0.271769% change) large trace change predicted (1.18253%) linmin: converged after 6 iterations. iteration 103: trace = 0.002188150132802064 (1.61809% change) linmin: converged after 3 iterations. iteration 104: trace = 0.002182874759977945 (0.241379% change) large trace change predicted (0.876822%) linmin: converged after 5 iterations. iteration 105: trace = 0.002159129103806193 (1.09376% change) linmin: converged after 6 iterations. iteration 106: trace = 0.002089786152922282 (3.26403% change) linmin: converged after 4 iterations. iteration 107: trace = 0.002082927080804095 (0.328758% change) large trace change predicted (0.745454%) linmin: converged after 5 iterations. iteration 108: trace = 0.002064496299123318 (0.888782% change) linmin: converged after 5 iterations. iteration 109: trace = 0.002041753068920313 (1.10774% change) linmin: converged after 3 iterations. iteration 110: trace = 0.002039571461126356 (0.106907% change) large trace change predicted (0.360866%) linmin: converged after 4 iterations. iteration 111: trace = 0.00203162291519282 (0.390477% change) large trace change predicted (1.05067%) linmin: converged after 5 iterations. iteration 112: trace = 0.002004428314296047 (1.34758% change) linmin: converged after 3 iterations. iteration 113: trace = 0.001999407692206722 (0.250791% change) linmin: converged after 3 iterations. iteration 114: trace = 0.001995360220819478 (0.202639% change) large trace change predicted (0.94685%) linmin: converged after 5 iterations. iteration 115: trace = 0.001971823715558564 (1.18656% change) linmin: converged after 4 iterations. iteration 116: trace = 0.001962095654760598 (0.494573% change) linmin: converged after 3 iterations. iteration 117: trace = 0.001959076236913126 (0.154006% change) large trace change predicted (0.748967%) linmin: converged after 5 iterations. iteration 118: trace = 0.001941712280395883 (0.890279% change) linmin: converged after 5 iterations. iteration 119: trace = 0.001923375463955263 (0.948843% change) linmin: converged after 3 iterations. iteration 120: trace = 0.001920556295701355 (0.146681% change) linmin: converged after 3 iterations. iteration 121: trace = 0.001918029912146249 (0.131631% change) large trace change predicted (0.549968%) linmin: converged after 4 iterations. iteration 122: trace = 0.001906201779161867 (0.618589% change) linmin: converged after 4 iterations. iteration 123: trace = 0.001898499562050229 (0.404879% change) linmin: converged after 3 iterations. iteration 124: trace = 0.001896557449814275 (0.10235% change) large trace change predicted (0.277058%) linmin: converged after 3 iterations. iteration 125: trace = 0.001891002137458801 (0.293345% change) large trace change predicted (0.718159%) linmin: converged after 5 iterations. iteration 126: trace = 0.001875212231809554 (0.838503% change) linmin: converged after 3 iterations. iteration 127: trace = 0.001869456093758295 (0.307431% change) linmin: converged after 3 iterations. iteration 128: trace = 0.001867923188187034 (0.082031% change) large trace change predicted (0.22535%) linmin: converged after 3 iterations. iteration 129: trace = 0.001863513871651646 (0.236333% change) large trace change predicted (0.500516%) linmin: converged after 4 iterations. iteration 130: trace = 0.001853142211517864 (0.558118% change) linmin: converged after 3 iterations. iteration 131: trace = 0.001849375854526385 (0.203448% change) linmin: converged after 3 iterations. iteration 132: trace = 0.001848037517131958 (0.0723932% change) large trace change predicted (0.20788%) linmin: converged after 3 iterations. iteration 133: trace = 0.001844026901769776 (0.217256% change) linmin: converged after 4 iterations. iteration 134: trace = 0.001836311623647581 (0.41927% change) linmin: converged after 3 iterations. iteration 135: trace = 0.001833761470105556 (0.13897% change) linmin: converged after 3 iterations. iteration 136: trace = 0.001832871786061251 (0.0485287% change) large trace change predicted (0.135932%) linmin: converged after 3 iterations. iteration 137: trace = 0.001830312047116603 (0.139755% change) large trace change predicted (0.311765%) linmin: converged after 4 iterations. iteration 138: trace = 0.001824235934785314 (0.332523% change) linmin: converged after 3 iterations. iteration 139: trace = 0.001821681787552322 (0.14011% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 0.001821340978755483 (0.0187102% change) large trace change predicted (0.0804528%) linmin: converged after 3 iterations. iteration 141: trace = 0.001819877066132478 (0.0804079% change) large trace change predicted (0.409916%) linmin: converged after 3 iterations. iteration 142: trace = 0.001812499503892364 (0.406211% change) linmin: converged after 3 iterations. iteration 143: trace = 0.001811454519148888 (0.057671% change) large trace change predicted (0.477167%) linmin: converged after 4 iterations. iteration 144: trace = 0.001802735963199116 (0.482462% change) linmin: converged after 2 iterations. iteration 145: trace = 0.001802528129060389 (0.0115295% change) large trace change predicted (0.204614%) linmin: converged after 4 iterations. iteration 146: trace = 0.001798817730664685 (0.206056% change) linmin: converged after 2 iterations. iteration 147: trace = 0.001797914790903732 (0.0502089% change) linmin: converged after 2 iterations. iteration 148: trace = 0.001797855061937365 (0.00332218% change) large trace change predicted (0.0666456%) linmin: converged after 3 iterations. iteration 149: trace = 0.001796663044742081 (0.0663242% change) linmin: converged after 2 iterations. iteration 150: trace = 0.001796554124385083 (0.00606255% change) large trace change predicted (0.0339861%) linmin: converged after 3 iterations. iteration 151: trace = 0.001795941681918807 (0.0340957% change) linmin: converged after 3 iterations. iteration 152: trace = 0.001795556193835764 (0.0214667% change) linmin: converged after 2 iterations. iteration 153: trace = 0.001795537946428974 (0.00101626% change) large trace change predicted (0.0137742%) linmin: converged after 3 iterations. iteration 154: trace = 0.001795291078519722 (0.0137499% change) linmin: converged after 3 iterations. iteration 155: trace = 0.001795240452711556 (0.00281996% change) linmin: converged after 3 iterations. iteration 156: trace = 0.001795226987864461 (0.000750033% change) large trace change predicted (0.00308087%) linmin: converged after 3 iterations. iteration 157: trace = 0.001795171693735686 (0.00308011% change) linmin: converged after 2 iterations. iteration 158: trace = 0.001795171107873165 (3.26355e-05% change) large trace change predicted (0.000971063%) linmin: converged after 2 iterations. iteration 159: trace = 0.001795153665886346 (0.000971611% change) linmin: converged after 2 iterations. iteration 160: trace = 0.001795145309849778 (0.000465479% change) linmin: converged after 2 iterations. iteration 161: trace = 0.00179513965313019 (0.000315113% change) linmin: converged after 2 iterations. iteration 162: trace = 0.001795132316401178 (0.0004087% change) linmin: converged after 2 iterations. iteration 163: trace = 0.001795130761270238 (8.66305e-05% change) large trace change predicted (0.000263293%) linmin: converged after 2 iterations. iteration 164: trace = 0.001795126034816844 (0.000263293% change) linmin: converged after 2 iterations. iteration 165: trace = 0.001795120368150627 (0.00031567% change) linmin: converged after 2 iterations. iteration 166: trace = 0.001795120265519393 (5.71723e-06% change) large trace change predicted (0.000128194%) linmin: converged after 2 iterations. iteration 167: trace = 0.0017951179643805 (0.000128189% change) linmin: converged after 2 iterations. iteration 168: trace = 0.001795116608932586 (7.55075e-05% change) linmin: converged after 2 iterations. iteration 169: trace = 0.00179511627836147 (1.8415e-05% change) large trace change predicted (0.000128111%) linmin: converged after 2 iterations. iteration 170: trace = 0.001795113978637384 (0.00012811% change) linmin: converged after 2 iterations. iteration 171: trace = 0.001795113633503659 (1.92263e-05% change) large trace change predicted (0.000217276%) linmin: converged after 2 iterations. iteration 172: trace = 0.001795109733048387 (0.000217282% change) linmin: converged after 2 iterations. iteration 173: trace = 0.001795108024776292 (9.51626e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 0.00179510771385997 (1.73202e-05% change) linmin: converged after 2 iterations. iteration 175: trace = 0.001795107475576205 (1.32741e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 0.001795107189144143 (1.59563e-05% change) large trace change predicted (4.80671e-05%) linmin: converged after 2 iterations. iteration 177: trace = 0.00179510632617456 (4.80734e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 0.001795105301167742 (5.71001e-05% change) linmin: converged after 2 iterations. iteration 179: trace = 0.00179510525712836 (2.4533e-06% change) large trace change predicted (6.13335e-05%) linmin: converged after 2 iterations. iteration 180: trace = 0.001795104156147833 (6.13324e-05% change) linmin: converged after 2 iterations. iteration 181: trace = 0.001795103906910061 (1.38843e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 0.001795103753578124 (8.54168e-06% change) large trace change predicted (2.98372e-05%) linmin: converged after 2 iterations. iteration 183: trace = 0.001795103217903729 (2.98409e-05% change) linmin: converged after 2 iterations. iteration 184: trace = 0.001795103166259423 (2.87695e-06% change) large trace change predicted (3.00403e-05%) linmin: converged after 3 iterations. iteration 185: trace = 0.001795102627068015 (3.00368e-05% change) linmin: converged after 2 iterations. iteration 186: trace = 0.001795102523467903 (5.77126e-06% change) linmin: converged after 1 iterations. iteration 187: trace = 0.001795102514608244 (4.93546e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 elapsed time for k point: 0.8053989410400391 total elapsed time for run: 0.8119461536407471 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006507396697998047 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.013963968885107 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327343044449466 (5.07052% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01314818569010378 (0.948048% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01141846578827399 (14.0819% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01061430622937801 (7.29967% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0102347107119679 (3.64138% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009988837075719608 (2.43156% change) linmin: converged after 7 iterations. iteration 8: trace = 0.009059508094124929 (9.75758% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008774558877248347 (3.19556% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008664466957180424 (1.26259% change) large trace change predicted (5.16734%) linmin: converged after 8 iterations. iteration 11: trace = 0.007650222378831909 (12.4335% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007407584235922479 (3.22276% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007287287721444142 (1.63726% change) large trace change predicted (4.46443%) linmin: converged after 8 iterations. iteration 14: trace = 0.006585376156714772 (10.1193% change) linmin: converged after 5 iterations. iteration 15: trace = 0.006385665995861183 (3.07932% change) linmin: converged after 5 iterations. iteration 16: trace = 0.006173327684014537 (3.38145% change) large trace change predicted (7.03964%) linmin: converged after 6 iterations. iteration 17: trace = 0.005372344447181201 (13.875% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005203493896296876 (3.19314% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005158140160565367 (0.875417% change) large trace change predicted (7.03307%) linmin: converged after 6 iterations. iteration 20: trace = 0.004551124706256455 (12.5038% change) linmin: converged after 6 iterations. iteration 21: trace = 0.004053087734012703 (11.5766% change) linmin: converged after 4 iterations. iteration 22: trace = 0.003982686104546883 (1.75221% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003851118513789621 (3.35897% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003554514950175319 (8.01021% change) linmin: converged after 4 iterations. iteration 25: trace = 0.003482282941089456 (2.05298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.003443376782551548 (1.12354% change) large trace change predicted (5.80293%) linmin: converged after 6 iterations. iteration 27: trace = 0.003167191653530731 (8.35587% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002727294773792319 (14.9257% change) linmin: converged after 4 iterations. iteration 29: trace = 0.00261408919836408 (4.23881% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002578888610947004 (1.3557% change) large trace change predicted (3.42483%) linmin: converged after 4 iterations. iteration 31: trace = 0.002480493356273773 (3.88962% change) linmin: converged after 4 iterations. iteration 32: trace = 0.002367651133012123 (4.65507% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00233796629705678 (1.26168% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002309522256886928 (1.22406% change) large trace change predicted (5.26705%) linmin: converged after 5 iterations. iteration 35: trace = 0.002163759017492219 (6.51706% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001939452304785408 (10.9332% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00186957222999906 (3.66918% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001846153068852122 (1.26054% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001797037323885004 (2.6963% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001701311179774289 (5.47265% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001657879763084735 (2.58583% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001643731377042975 (0.85706% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001620701965208401 (1.41093% change) large trace change predicted (3.46706%) linmin: converged after 4 iterations. iteration 44: trace = 0.00155921515695374 (3.8672% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001512999776482627 (3.0086% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001497753787335442 (1.01277% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001482591473434224 (1.01749% change) large trace change predicted (3.11595%) linmin: converged after 3 iterations. iteration 48: trace = 0.001433496093899474 (3.36721% change) linmin: converged after 4 iterations. iteration 49: trace = 0.001357637973043123 (5.43565% change) linmin: converged after 3 iterations. iteration 50: trace = 0.001326948326801945 (2.28636% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001316932853658683 (0.757634% change) linmin: converged after 4 iterations. iteration 52: trace = 0.00130499859355095 (0.910341% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001282234360753415 (1.75974% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001266870293558345 (1.20545% change) linmin: converged after 4 iterations. iteration 55: trace = 0.001261655054987313 (0.412512% change) linmin: converged after 4 iterations. iteration 56: trace = 0.00125677986338564 (0.38716% change) large trace change predicted (1.2699%) linmin: converged after 3 iterations. iteration 57: trace = 0.001240453870881619 (1.30753% change) large trace change predicted (2.87445%) linmin: converged after 3 iterations. iteration 58: trace = 0.001202896860403951 (3.07422% change) linmin: converged after 3 iterations. iteration 59: trace = 0.001179735208772778 (1.94421% change) linmin: converged after 4 iterations. iteration 60: trace = 0.001172296235977517 (0.632557% change) linmin: converged after 4 iterations. iteration 61: trace = 0.001166242359716823 (0.517749% change) large trace change predicted (1.07992%) linmin: converged after 3 iterations. iteration 62: trace = 0.001153409487711424 (1.10645% change) linmin: converged after 3 iterations. iteration 63: trace = 0.001139191286254316 (1.24036% change) linmin: converged after 4 iterations. iteration 64: trace = 0.001133617688685817 (0.490459% change) linmin: converged after 4 iterations. iteration 65: trace = 0.001130985118687525 (0.232497% change) linmin: converged after 4 iterations. iteration 66: trace = 0.001126199418161235 (0.424042% change) large trace change predicted (1.0217%) linmin: converged after 4 iterations. iteration 67: trace = 0.001114492081979881 (1.04498% change) linmin: converged after 4 iterations. iteration 68: trace = 0.001104425130402338 (0.907375% change) linmin: converged after 4 iterations. iteration 69: trace = 0.001100671902350251 (0.340414% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.001099857642964197 (0.0740058% change) large trace change predicted (0.448655%) linmin: converged after 3 iterations. iteration 71: trace = 0.001094930579150081 (0.448979% change) linmin: converged after 3 iterations. iteration 72: trace = 0.001092058041034646 (0.262693% change) large trace change predicted (1.1343%) linmin: converged after 3 iterations. iteration 73: trace = 0.001079697301944866 (1.13832% change) linmin: converged after 3 iterations. iteration 74: trace = 0.001075945706008446 (0.348072% change) large trace change predicted (5.69647%) linmin: converged after 3 iterations. iteration 75: trace = 0.001015472061314714 (5.78303% change) linmin: converged after 4 iterations. iteration 76: trace = 0.001011722488235073 (0.369927% change) linmin: converged after 2 iterations. iteration 77: trace = 0.001006696724642162 (0.49799% change) linmin: converged after 3 iterations. iteration 78: trace = 0.001006471831578985 (0.0223422% change) large trace change predicted (0.321601%) linmin: converged after 3 iterations. iteration 79: trace = 0.001003240532948339 (0.321568% change) large trace change predicted (0.843447%) linmin: converged after 3 iterations. iteration 80: trace = 0.0009948316941740013 (0.841695% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0009932059482039139 (0.163553% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0009920100956325559 (0.120476% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0009909098472246269 (0.110973% change) large trace change predicted (0.343974%) linmin: converged after 3 iterations. iteration 84: trace = 0.0009875186028339726 (0.342822% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0009868351271945317 (0.0692354% change) large trace change predicted (0.23392%) linmin: converged after 3 iterations. iteration 86: trace = 0.0009845322568589683 (0.233632% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0009832644457029389 (0.128856% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0009830636446443047 (0.020424% change) large trace change predicted (0.143137%) linmin: converged after 4 iterations. iteration 89: trace = 0.000981654287726127 (0.143467% change) linmin: converged after 4 iterations. iteration 90: trace = 0.0009807285600283054 (0.0943473% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0009801262096658643 (0.0614375% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0009797003662757565 (0.0434573% change) large trace change predicted (0.150715%) linmin: converged after 4 iterations. iteration 93: trace = 0.0009782177342185247 (0.15145% change) linmin: converged after 4 iterations. iteration 94: trace = 0.0009773746219149113 (0.0862258% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0009769392448670227 (0.0445555% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0009766854231881596 (0.0259847% change) large trace change predicted (0.0932274%) linmin: converged after 4 iterations. iteration 97: trace = 0.0009757710907702626 (0.0936597% change) linmin: converged after 4 iterations. iteration 98: trace = 0.000974760338555612 (0.103639% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0009746951131747228 (0.00669165% change) large trace change predicted (0.066841%) linmin: converged after 4 iterations. iteration 100: trace = 0.0009740429646619571 (0.0669303% change) linmin: converged after 2 iterations. iteration 101: trace = 0.000973903057995954 (0.0143645% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0009736734114930696 (0.0235828% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0009736547111648292 (0.00192061% change) large trace change predicted (0.0320894%) linmin: converged after 4 iterations. iteration 104: trace = 0.000973341966809752 (0.0321258% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0009731524760046547 (0.01947% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0009729383974931011 (0.0220009% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0009728422982404363 (0.00987771% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000972773850866935 (0.00703606% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0009727199318841234 (0.00554296% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0009727001609085182 (0.00203257% change) large trace change predicted (0.00486823%) linmin: converged after 2 iterations. iteration 111: trace = 0.0009726527881008878 (0.00487036% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0009726459001020127 (0.000708169% change) large trace change predicted (0.0028796%) linmin: converged after 2 iterations. iteration 113: trace = 0.0009726178782572927 (0.00288103% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0009726136550693561 (0.000434209% change) large trace change predicted (0.0044832%) linmin: converged after 2 iterations. iteration 115: trace = 0.0009725700210456027 (0.00448637% change) linmin: converged after 3 iterations. iteration 116: trace = 0.0009725477186011459 (0.00229317% change) linmin: converged after 3 iterations. iteration 117: trace = 0.0009725169993835423 (0.00315868% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0009725054398541233 (0.00118863% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0009724922314134557 (0.0013582% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000972485898755359 (0.00065118% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0009724828068150201 (0.000317942% change) large trace change predicted (0.000766325%) linmin: converged after 2 iterations. iteration 122: trace = 0.0009724753544886667 (0.000766323% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0009724751391760871 (2.21407e-05% change) large trace change predicted (0.000487741%) linmin: converged after 3 iterations. iteration 124: trace = 0.0009724703967831301 (0.000487663% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0009724695722731794 (8.47851e-05% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0009724686023173732 (9.97416e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0009724683963285693 (2.11821e-05% change) large trace change predicted (0.000182956%) linmin: converged after 2 iterations. iteration 128: trace = 0.0009724666170982419 (0.00018296% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0009724665630290224 (5.56001e-06% change) large trace change predicted (8.58149e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0009724657284832416 (8.58175e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0009724651010359192 (6.45213e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0009724646247807202 (4.8974e-05% change) large trace change predicted (0.000202977%) linmin: converged after 2 iterations. iteration 133: trace = 0.0009724626509295809 (0.000202974% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0009724620375443918 (6.30755e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0009724615331305616 (5.18698e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0009724608659776705 (6.86046e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0009724601155291436 (7.71701e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0009724600796040628 (3.69425e-06% change) large trace change predicted (1.51509e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0009724599322679013 (1.51509e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0009724599005561722 (3.26098e-06% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0009724598673352763 (3.41617e-06% change) large trace change predicted (1.39418e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0009724597317585379 (1.39416e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0009724596502114002 (8.38566e-06% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0009724596426331552 (7.79286e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 elapsed time for k point: 0.6207678318023682 total elapsed time for run: 0.6273446083068848 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0064849853515625 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396244070952001 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327734802514247 (5.03009% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312938938238583 (1.12061% change) near maximum in trace linmin: converged after 7 iterations. iteration 4: trace = 0.01143971570355311 (13.7545% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01056618625955128 (7.93905% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0100894235250991 (4.6163% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009853432413965239 (2.36667% change) linmin: converged after 9 iterations. iteration 8: trace = 0.008796447371225856 (11.335% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008458573891943778 (3.91623% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008228863764816385 (2.75309% change) large trace change predicted (6.26136%) linmin: converged after 8 iterations. iteration 11: trace = 0.006959104851753761 (16.7206% change) linmin: converged after 5 iterations. iteration 12: trace = 0.00673167590201818 (3.32237% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006525014649972332 (3.11784% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005693152944009995 (13.6168% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005504795126196015 (3.36415% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005182224286174116 (6.03668% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004410551313898079 (16.0886% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004283910857905518 (2.91313% change) linmin: converged after 4 iterations. iteration 19: trace = 0.004224603983459523 (1.39406% change) large trace change predicted (9.32565%) linmin: converged after 6 iterations. iteration 20: trace = 0.003556460288190122 (17.1736% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003124334182187236 (12.9364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003069228500152332 (1.77945% change) large trace change predicted (3.71325%) linmin: converged after 5 iterations. iteration 23: trace = 0.002934336282953766 (4.49374% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00264233173308252 (10.4724% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002571579567269919 (2.71398% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002533478244798919 (1.49269% change) large trace change predicted (7.65005%) linmin: converged after 5 iterations. iteration 27: trace = 0.002278678035554091 (10.5899% change) linmin: converged after 6 iterations. iteration 28: trace = 0.001883039953473477 (19.0132% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001791571188507326 (4.97842% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001767270133709125 (1.36567% change) large trace change predicted (3.86857%) linmin: converged after 4 iterations. iteration 31: trace = 0.00169217116207442 (4.34168% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001555831949290188 (8.39526% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001511411252316229 (2.89646% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001486905418581334 (1.63464% change) large trace change predicted (5.92327%) linmin: converged after 4 iterations. iteration 35: trace = 0.001387435430392555 (6.92124% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001194026459248926 (14.9845% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001122562343194793 (6.16977% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001099956477424317 (2.03426% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001059182240514918 (3.7769% change) linmin: converged after 4 iterations. iteration 40: trace = 0.0009866837679004818 (7.08731% change) linmin: converged after 3 iterations. iteration 41: trace = 0.0009558629208419246 (3.17324% change) linmin: converged after 4 iterations. iteration 42: trace = 0.0009452267884309858 (1.11895% change) linmin: converged after 3 iterations. iteration 43: trace = 0.0009243211032326439 (2.23644% change) large trace change predicted (6.26126%) linmin: converged after 4 iterations. iteration 44: trace = 0.0008615593031079486 (7.02867% change) linmin: converged after 3 iterations. iteration 45: trace = 0.0008134176826413665 (5.74833% change) linmin: converged after 4 iterations. iteration 46: trace = 0.0007986283255418251 (1.83486% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0007852627945740037 (1.68768% change) large trace change predicted (4.77797%) linmin: converged after 3 iterations. iteration 48: trace = 0.0007461125163437629 (5.11309% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0006970945357500939 (6.79292% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0006808926183566773 (2.35153% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0006752932687867483 (0.82575% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0006660950936484398 (1.37144% change) large trace change predicted (3.11166%) linmin: converged after 3 iterations. iteration 53: trace = 0.0006448656203036437 (3.23877% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0006304610544465145 (2.25896% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0006258397561783901 (0.735699% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0006213724158645289 (0.716372% change) large trace change predicted (2.22111%) linmin: converged after 4 iterations. iteration 57: trace = 0.0006073554439309521 (2.28154% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0005849991898567178 (3.74993% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0005750384421344878 (1.71731% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0005705355312952852 (0.786141% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0005627759095241983 (1.36937% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0005488357745412257 (2.50809% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0005415218646086128 (1.34156% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0005394069954728243 (0.391306% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0005374974140719988 (0.354643% change) large trace change predicted (1.05234%) linmin: converged after 4 iterations. iteration 66: trace = 0.0005318034221307215 (1.06499% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0005225513688562095 (1.75502% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0005182232127308791 (0.831718% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0005162072680211521 (0.389769% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0005155092907337273 (0.135304% change) large trace change predicted (0.688124%) linmin: converged after 3 iterations. iteration 71: trace = 0.0005119637368373891 (0.69015% change) linmin: converged after 2 iterations. iteration 72: trace = 0.0005116082162762452 (0.0694666% change) large trace change predicted (2.65047%) linmin: converged after 3 iterations. iteration 73: trace = 0.0004980720955581289 (2.68127% change) linmin: converged after 2 iterations. iteration 74: trace = 0.0004962593830387063 (0.364609% change) large trace change predicted (4.18178%) linmin: converged after 3 iterations. iteration 75: trace = 0.0004755685305165733 (4.25813% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0004613074630966258 (3.04439% change) linmin: converged after 3 iterations. iteration 77: trace = 0.000461086796861826 (0.0478464% change) large trace change predicted (0.213803%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004601018611198662 (0.21384% change) large trace change predicted (1.00026%) linmin: converged after 3 iterations. iteration 79: trace = 0.0004555175354524014 (1.00136% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004514547054394601 (0.895911% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004512636246072304 (0.0423345% change) large trace change predicted (0.206391%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004503349945097374 (0.205996% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0004501374789181844 (0.0438693% change) large trace change predicted (0.562754%) linmin: converged after 3 iterations. iteration 84: trace = 0.0004476360710495486 (0.557247% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0004475864327812843 (0.0110896% change) large trace change predicted (0.12546%) linmin: converged after 3 iterations. iteration 86: trace = 0.0004470257239683097 (0.125352% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004469825667575035 (0.00965477% change) large trace change predicted (0.115451%) linmin: converged after 2 iterations. iteration 88: trace = 0.0004464661248478511 (0.115606% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004464504551906729 (0.00350977% change) large trace change predicted (0.177837%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004456538746359608 (0.178585% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0004456257171319219 (0.00631844% change) large trace change predicted (0.074741%) linmin: converged after 4 iterations. iteration 92: trace = 0.0004452924589958601 (0.0748123% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0004452687856063663 (0.00531651% change) large trace change predicted (0.113007%) linmin: converged after 3 iterations. iteration 94: trace = 0.0004447657260542227 (0.113043% change) linmin: converged after 2 iterations. iteration 95: trace = 0.000444726767362233 (0.00875976% change) large trace change predicted (0.105917%) linmin: converged after 2 iterations. iteration 96: trace = 0.0004442556986460133 (0.105979% change) linmin: converged after 2 iterations. iteration 97: trace = 0.000444245580605219 (0.00227755% change) large trace change predicted (0.0817138%) linmin: converged after 3 iterations. iteration 98: trace = 0.0004438810888303023 (0.082081% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0004438500905866564 (0.0069837% change) large trace change predicted (0.0240443%) linmin: converged after 2 iterations. iteration 100: trace = 0.000443743225500733 (0.0240797% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004437391651983546 (0.000915016% change) large trace change predicted (0.0185711%) linmin: converged after 2 iterations. iteration 102: trace = 0.0004436567046655417 (0.0185848% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0004436180975631598 (0.0087024% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004435965954249043 (0.00484711% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0004435901010886317 (0.00146403% change) large trace change predicted (0.0143213%) linmin: converged after 3 iterations. iteration 106: trace = 0.0004435266121585175 (0.0143135% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0004434983515581526 (0.006372% change) linmin: converged after 3 iterations. iteration 108: trace = 0.0004434761005167122 (0.00501729% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000443471473101567 (0.00104345% change) large trace change predicted (0.00742987%) linmin: converged after 2 iterations. iteration 110: trace = 0.0004434385151229819 (0.00743209% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0004434252055766774 (0.00300149% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004434206868132132 (0.00101906% change) linmin: converged after 2 iterations. iteration 113: trace = 0.000443413692435694 (0.00157738% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004434078981871981 (0.00130675% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0004434060803081369 (0.00040998% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004434035864054549 (0.000562444% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0004433997721779061 (0.000860219% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004433993922834409 (8.56777e-05% change) large trace change predicted (0.000765319%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004433959989793184 (0.000765296% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000443393710753055 (0.00051607% change) linmin: converged after 2 iterations. iteration 121: trace = 0.00044339255522473 (0.00026061% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004433924380077656 (2.64364e-05% change) large trace change predicted (0.000654702%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004433895351567819 (0.000654693% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004433889271465858 (0.000137128% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0004433880632293057 (0.000194844% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004433880312280366 (7.21744e-06% change) large trace change predicted (9.11993e-05%) linmin: converged after 2 iterations. iteration 127: trace = 0.0004433876268650916 (9.11985e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004433874490725832 (4.00987e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0004433873033573146 (3.28641e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004433872992476595 (9.26877e-07% change) Finished solving for bands 1 to 1 after 130 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732 elapsed time for k point: 0.5623307228088379 total elapsed time for run: 0.5688831806182861 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006488800048828125 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396317243285668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327582341516151 (5.0468% change) linmin: converged after 5 iterations. iteration 3: trace = 0.0131392180270813 (1.0343% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142281205604164 (13.9761% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01058525607515258 (7.61135% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01015898370438056 (4.10979% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009918237309124136 (2.3982% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008927971076747502 (10.5089% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008614717279949852 (3.57133% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008466233313039572 (1.73859% change) large trace change predicted (5.78164%) linmin: converged after 8 iterations. iteration 11: trace = 0.007282511328252523 (15.0326% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007044999188587252 (3.31547% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006874592946480029 (2.44844% change) linmin: converged after 8 iterations. iteration 14: trace = 0.006133148163783014 (11.4001% change) linmin: converged after 5 iterations. iteration 15: trace = 0.00596154977038677 (2.83758% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005645565245977392 (5.44467% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004830936611362561 (15.5515% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004686994043991938 (3.02466% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004633898349406407 (1.13928% change) large trace change predicted (8.32154%) linmin: converged after 6 iterations. iteration 20: trace = 0.003985702635394283 (15.04% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003535474708266895 (11.9723% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003476369469566703 (1.68587% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003338185922812975 (4.05554% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00304023988603604 (9.34231% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002968314177461078 (2.39411% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002929179324367631 (1.32717% change) large trace change predicted (6.73473%) linmin: converged after 5 iterations. iteration 27: trace = 0.00266516322242606 (9.43868% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00226371610808418 (16.2896% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002168934509313738 (4.27652% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00214077639914179 (1.30673% change) large trace change predicted (3.62381%) linmin: converged after 4 iterations. iteration 31: trace = 0.002054832936511166 (4.09683% change) linmin: converged after 4 iterations. iteration 32: trace = 0.001928675147154582 (6.334% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001891060682966421 (1.96948% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001863419993347732 (1.47241% change) large trace change predicted (5.5606%) linmin: converged after 5 iterations. iteration 35: trace = 0.001742904243219416 (6.68358% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001553603642031292 (11.4849% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00149051835858315 (4.14473% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001465056863554563 (1.72295% change) large trace change predicted (3.54511%) linmin: converged after 4 iterations. iteration 39: trace = 0.001409511516369738 (3.8646% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001324643607082073 (6.20798% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001293109867389404 (2.40922% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001281892836952946 (0.871225% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001258915302834804 (1.80868% change) large trace change predicted (4.91517%) linmin: converged after 4 iterations. iteration 44: trace = 0.001191045275990163 (5.5405% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001138499727154077 (4.51123% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00112217005831717 (1.44468% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001108595699098917 (1.21701% change) large trace change predicted (3.33729%) linmin: converged after 3 iterations. iteration 48: trace = 0.001069901372311806 (3.55239% change) linmin: converged after 3 iterations. iteration 49: trace = 0.001014621259259575 (5.30386% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0009931819912349258 (2.13559% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0009855932452828896 (0.767014% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0009747198764360718 (1.10935% change) large trace change predicted (2.27865%) linmin: converged after 3 iterations. iteration 53: trace = 0.0009518762291513457 (2.3714% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0009362068769205437 (1.65982% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0009309620734048508 (0.561792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0009261399277891347 (0.519319% change) large trace change predicted (1.55474%) linmin: converged after 4 iterations. iteration 57: trace = 0.0009114740521548155 (1.59619% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000885157723534713 (2.92952% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0008716930715392432 (1.53282% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0008661342145990267 (0.639748% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0008582710080876835 (0.911991% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0008422283021135275 (1.88682% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008310961554440692 (1.33054% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0008278256095158784 (0.394298% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0008259581513831269 (0.225841% change) large trace change predicted (0.54409%) linmin: converged after 4 iterations. iteration 66: trace = 0.0008214375662093993 (0.548816% change) large trace change predicted (1.31796%) linmin: converged after 4 iterations. iteration 67: trace = 0.000810457089246552 (1.34573% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0008022185029618069 (1.02173% change) linmin: converged after 4 iterations. iteration 69: trace = 0.000799064159193558 (0.393977% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007982674272893162 (0.0997579% change) large trace change predicted (0.511106%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007941909654360605 (0.511971% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007934194265668023 (0.097195% change) large trace change predicted (2.05123%) linmin: converged after 3 iterations. iteration 73: trace = 0.0007771906069134629 (2.06656% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0007749505868352607 (0.288636% change) large trace change predicted (3.32417%) linmin: converged after 3 iterations. iteration 75: trace = 0.0007492994742902132 (3.36574% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0007303048045902645 (2.56753% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0007296260899923329 (0.092979% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0007286441023607333 (0.134678% change) large trace change predicted (0.558198%) linmin: converged after 3 iterations. iteration 79: trace = 0.0007245873406189162 (0.558309% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0007180771875030859 (0.902518% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0007177753846900935 (0.0420381% change) large trace change predicted (0.226857%) linmin: converged after 3 iterations. iteration 82: trace = 0.0007161515296084835 (0.226491% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0007160330404445294 (0.0165466% change) large trace change predicted (0.465216%) linmin: converged after 3 iterations. iteration 84: trace = 0.0007127367071706359 (0.461423% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0007126620769587756 (0.0104715% change) large trace change predicted (0.165499%) linmin: converged after 3 iterations. iteration 86: trace = 0.0007114852716408983 (0.165265% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0007114282832243191 (0.0080101% change) large trace change predicted (0.095004%) linmin: converged after 2 iterations. iteration 88: trace = 0.000710752335651195 (0.0950579% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0007107286747977002 (0.00332904% change) large trace change predicted (0.213089%) linmin: converged after 4 iterations. iteration 90: trace = 0.0007092078344352046 (0.214212% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0007089701515793524 (0.0335195% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0007085829024933058 (0.0546363% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0007085381993806709 (0.006309% change) large trace change predicted (0.0927125%) linmin: converged after 4 iterations. iteration 94: trace = 0.0007078806538429843 (0.0928462% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0007072074075412233 (0.0951526% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0007068181437316314 (0.0550575% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0007067093274619584 (0.0153964% change) large trace change predicted (0.0560665%) linmin: converged after 4 iterations. iteration 98: trace = 0.0007063118363032925 (0.0562612% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0007061403184928472 (0.0242865% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0007060950996106257 (0.00640387% change) large trace change predicted (0.0267454%) linmin: converged after 2 iterations. iteration 101: trace = 0.0007059060330955778 (0.0267799% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0007058881454635251 (0.00253403% change) large trace change predicted (0.0136289%) linmin: converged after 3 iterations. iteration 103: trace = 0.0007057919581194113 (0.0136274% change) linmin: converged after 3 iterations. iteration 104: trace = 0.0007057842514750095 (0.00109192% change) large trace change predicted (0.0186307%) linmin: converged after 3 iterations. iteration 105: trace = 0.0007056529475520776 (0.0186057% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0007056483369613913 (0.000653381% change) large trace change predicted (0.0148068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0007055439182106634 (0.0147987% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0007055329036022919 (0.00156116% change) large trace change predicted (0.0110758%) linmin: converged after 2 iterations. iteration 109: trace = 0.0007054546515592812 (0.0110918% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0007054502743526807 (0.000620482% change) large trace change predicted (0.00195447%) linmin: converged after 2 iterations. iteration 111: trace = 0.0007054364838129145 (0.00195488% change) linmin: converged after 3 iterations. iteration 112: trace = 0.00070542386447461 (0.00178889% change) linmin: converged after 3 iterations. iteration 113: trace = 0.0007054118291849119 (0.00170612% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000705406589596326 (0.000742773% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0007054022952448521 (0.000608779% change) large trace change predicted (0.00136007%) linmin: converged after 2 iterations. iteration 116: trace = 0.0007053927001440852 (0.00136024% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0007053920786219404 (8.81101e-05% change) large trace change predicted (0.00165021%) linmin: converged after 2 iterations. iteration 118: trace = 0.0007053804353967307 (0.00165062% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0007053797879385894 (9.17885e-05% change) large trace change predicted (0.000677675%) linmin: converged after 3 iterations. iteration 120: trace = 0.0007053750082370517 (0.000677609% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0007053742081007403 (0.000113434% change) large trace change predicted (0.000715979%) linmin: converged after 3 iterations. iteration 122: trace = 0.0007053691586075229 (0.000715863% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0007053690877136361 (1.00506e-05% change) large trace change predicted (0.000338665%) linmin: converged after 2 iterations. iteration 124: trace = 0.0007053666990218524 (0.000338645% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0007053665919398855 (1.5181e-05% change) large trace change predicted (0.000210995%) linmin: converged after 2 iterations. iteration 126: trace = 0.0007053651035997121 (0.000211003% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0007053650603494803 (6.13161e-06% change) large trace change predicted (3.74998e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0007053647958367587 (3.75001e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0007053645526035715 (3.44833e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0007053644026624938 (2.12572e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0007053642119763844 (2.70337e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0007053641295694841 (1.16829e-05% change) large trace change predicted (3.47577e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0007053638844030276 (3.47574e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0007053638768681148 (1.06823e-06% change) large trace change predicted (6.4584e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0007053634213077322 (6.45852e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.000705363382080597 (5.56127e-06% change) large trace change predicted (2.17913e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0007053632283731705 (2.17912e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0007053632203734074 (1.13413e-06% change) large trace change predicted (1.65302e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0007053631037760395 (1.65301e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0007053630961879888 (1.07577e-06% change) large trace change predicted (8.44799e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0007053630365991247 (8.44797e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0007053630328314389 (5.34148e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 elapsed time for k point: 0.6152911186218262 total elapsed time for run: 0.6218488216400146 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006472349166870117 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271668064178 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684595598254 (5.03584% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313324005126226 (1.08751% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143110159340448 (13.8586% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105716647670391 (7.81208% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011480006995593 (4.41704% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876896507317543 (2.38002% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008845869823225553 (11.0136% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008516806987345598 (3.79046% change) linmin: converged after 5 iterations. iteration 10: trace = 0.0083259027376308 (2.26691% change) large trace change predicted (6.10025%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074435671147812 (16.2525% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006841983821332298 (3.34068% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006643948104508374 (2.93692% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865142910620674 (12.4518% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690265827181827 (3.02676% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005358817859012478 (5.99956% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004559992561401731 (16.1073% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004422633268238755 (3.05833% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004367501599121268 (1.2544% change) large trace change predicted (8.81855%) linmin: converged after 6 iterations. iteration 20: trace = 0.00372526030351258 (15.872% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003275912354850025 (12.8364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217291914329528 (1.80559% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089322841871505 (4.05825% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002788506790177374 (10.2356% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710327276287455 (2.84349% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002673641018528812 (1.3628% change) large trace change predicted (6.80645%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438399819545466 (9.20342% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002033628117715322 (18.1024% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001932625575514644 (5.0931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907447121669809 (1.31135% change) large trace change predicted (3.49617%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834380521685669 (3.9054% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00169362700270968 (7.97921% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001645862013262594 (2.86062% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001621572416305719 (1.48677% change) large trace change predicted (5.19604%) linmin: converged after 4 iterations. iteration 35: trace = 0.00152683730460767 (6.01797% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331181621888311 (13.6917% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255055950247379 (5.88698% change) linmin: converged after 3 iterations. iteration 38: trace = 0.00123163863135193 (1.88341% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191185578475442 (3.33933% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001115731224133547 (6.54158% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001081930558997462 (3.07606% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001070713334826591 (1.04218% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050332277581847 (1.92179% change) large trace change predicted (5.53461%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009871633721356356 (6.20064% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009348499846279036 (5.4436% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009186091628567765 (1.75249% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009053624949768703 (1.45251% change) large trace change predicted (4.01003%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008674888829837042 (4.27262% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008159178079870348 (6.12699% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007976349713553913 (2.26616% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007916172097507311 (0.757307% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007826476374209466 (1.13953% change) large trace change predicted (2.68833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007610683319630357 (2.79576% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007448033462340947 (2.16021% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007395059081794688 (0.713792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007349897230015674 (0.612574% change) large trace change predicted (1.82366%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007213725308723415 (1.87003% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006974056183515871 (3.37853% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006857685870887716 (1.68266% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006809629613036115 (0.703229% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000673706500779278 (1.07133% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006595597906839349 (2.12211% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006509089489947768 (1.32027% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006483901390010435 (0.387718% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006465124061252257 (0.290019% change) large trace change predicted (0.811341%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006412331173751737 (0.819927% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006311167036481185 (1.59019% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006255870591535534 (0.880024% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006232810581626358 (0.369295% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006225571731986008 (0.116209% change) large trace change predicted (0.609983%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006187620007011797 (0.611474% change) large trace change predicted (1.73973%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006080141760239587 (1.75221% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006035622678303802 (0.734895% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005956759419083705 (1.31522% change) large trace change predicted (2.85632%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005786878970696843 (2.89315% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005632744308379359 (2.69947% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005628726027644159 (0.0713633% change) large trace change predicted (0.145053%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005620566909415205 (0.14506% change) large trace change predicted (0.920718%) linmin: converged after 3 iterations. iteration 79: trace = 0.000556901268703327 (0.921468% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005530168479638756 (0.699947% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005523447937977833 (0.121599% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005519201577198722 (0.0769084% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005511154675303566 (0.145905% change) large trace change predicted (0.454137%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005486399805402559 (0.450189% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005483001043205825 (0.0619681% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005481437586057971 (0.0285187% change) large trace change predicted (0.103654%) linmin: converged after 3 iterations. iteration 87: trace = 0.000547576267322373 (0.103583% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005471173775120635 (0.0838389% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005469543549641633 (0.0298011% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005468753842729244 (0.0144393% change) large trace change predicted (0.179336%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005458908535775531 (0.180191% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005457402126023019 (0.0275992% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005454536841265851 (0.0525165% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005453725909014505 (0.0148682% change) large trace change predicted (0.0882481%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005448913918825748 (0.088272% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005447734720897967 (0.0216433% change) large trace change predicted (0.0981658%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005442386144206128 (0.0982281% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005442276851007091 (0.00200821% change) large trace change predicted (0.082279%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005437776922392897 (0.0827189% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005437640368095923 (0.00251125% change) large trace change predicted (0.0242661%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005436318787459453 (0.0243073% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005436266544384924 (0.000961006% change) large trace change predicted (0.0202723%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005435163780755752 (0.0202874% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005435111183291713 (0.00096773% change) large trace change predicted (0.0121753%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005434449567637905 (0.0121737% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005434410274724705 (0.000723037% change) large trace change predicted (0.0153686%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005433575837248268 (0.0153559% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005433559425935523 (0.000302036% change) large trace change predicted (0.0117648%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005432920431469617 (0.0117608% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005432896628366095 (0.000438128% change) large trace change predicted (0.00949573%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005432380426691929 (0.00950186% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005432331257739618 (0.000905113% change) large trace change predicted (0.00221037%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005432211163618246 (0.00221075% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005432204746704853 (0.000118127% change) large trace change predicted (0.00265795%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005432060353819213 (0.00265813% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005432036139747535 (0.000445763% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005431990785113428 (0.000834951% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000543197926406157 (0.000212097% change) large trace change predicted (0.000723263%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005431939976708296 (0.000723263% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005431920389551495 (0.000360593% change) large trace change predicted (0.00103864%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005431863971830759 (0.00103864% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005431852869783299 (0.000204388% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005431845310996196 (0.000139157% change) large trace change predicted (0.000337847%) linmin: converged after 2 iterations. iteration 124: trace = 0.0005431826959961974 (0.000337842% change) linmin: converged after 2 iterations. iteration 125: trace = 0.000543179521609897 (0.000584407% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005431788940633948 (0.000115532% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005431787781330771 (2.13429e-05% change) large trace change predicted (0.000240786%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005431774702791236 (0.000240778% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005431773353970666 (2.4832e-05% change) large trace change predicted (0.000112502%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005431767243155191 (0.000112501% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005431767142489218 (1.85328e-06% change) large trace change predicted (2.02553e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005431766042266928 (2.02553e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005431765741613742 (5.53509e-06% change) large trace change predicted (3.94766e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005431763597343601 (3.94765e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005431763503041117 (1.73613e-06% change) large trace change predicted (2.12872e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005431762346775193 (2.12871e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005431762149598008 (3.63008e-06% change) large trace change predicted (1.89982e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005431761117661102 (1.89982e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005431761082614662 (6.45213e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 elapsed time for k point: 0.6013545989990234 total elapsed time for run: 0.607893705368042 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0064814090728759766 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396294122459342 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327637332042484 (5.04101% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313625235226447 (1.06102% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142626466081183 (13.9236% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057784268141234 (7.71149% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101363985755588 (4.26223% change) linmin: converged after 6 iterations. iteration 7: trace = 0.00989707820952058 (2.3892% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008886564416139161 (10.7595% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008565145991401027 (3.68352% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008397849844174292 (1.97248% change) large trace change predicted (5.94936%) linmin: converged after 8 iterations. iteration 11: trace = 0.007175141845432881 (15.7029% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006939886279340907 (3.33341% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006754220864507001 (2.71161% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005999068791962081 (11.8425% change) linmin: converged after 5 iterations. iteration 15: trace = 0.0058281432951154 (2.89038% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005499745249140956 (5.79805% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004689705950892465 (15.8996% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004548216263075897 (3.06324% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004494400626857838 (1.19027% change) large trace change predicted (8.55502%) linmin: converged after 6 iterations. iteration 20: trace = 0.003852697661217761 (15.3755% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00340144141458563 (12.4413% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003342291500873249 (1.75422% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00321073386637918 (4.01517% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002909608419548036 (9.84015% change) linmin: converged after 4 iterations. iteration 25: trace = 0.00283313570204534 (2.66328% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002795671508297314 (1.33116% change) large trace change predicted (6.68769%) linmin: converged after 5 iterations. iteration 27: trace = 0.002551161055532764 (9.14599% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002146624058585261 (17.2225% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002047335440864749 (4.73484% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002021075958936253 (1.2909% change) large trace change predicted (3.49827%) linmin: converged after 4 iterations. iteration 31: trace = 0.001943283503181491 (3.92459% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001807179549767166 (7.25798% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001763263473829649 (2.45998% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001737800359338515 (1.45459% change) large trace change predicted (5.25882%) linmin: converged after 4 iterations. iteration 35: trace = 0.001633741627736746 (6.17277% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001441114809892523 (12.5292% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001370755783738239 (5.00443% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001346317415236346 (1.79887% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001298937134882012 (3.58229% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001218627642660845 (6.37993% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001185961764721644 (2.71696% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001174813105179725 (0.944492% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001153265562994512 (1.8511% change) large trace change predicted (5.22719%) linmin: converged after 4 iterations. iteration 44: trace = 0.001087433671155279 (5.87601% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001034298521885585 (5.00866% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00101785103501322 (1.60295% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001004519468269755 (1.31841% change) large trace change predicted (3.61609%) linmin: converged after 3 iterations. iteration 48: trace = 0.000966593968775963 (3.84813% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0009133188303399611 (5.66783% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008935369733063531 (2.18964% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008868840069756368 (0.747348% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008772749495186759 (1.08936% change) large trace change predicted (2.44609%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008552392129446339 (2.54379% change) linmin: converged after 3 iterations. iteration 54: trace = 0.000838952470009195 (1.92266% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0008335405326943089 (0.64717% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0008288283473223893 (0.566924% change) large trace change predicted (1.66737%) linmin: converged after 4 iterations. iteration 57: trace = 0.0008147725921400057 (1.71036% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007900793485051223 (3.07732% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007778204750160264 (1.56373% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007726674683073802 (0.664695% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000764951390190671 (1.00364% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0007496428368889608 (2.02147% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0007398684201165854 (1.31243% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0007370458134004406 (0.38223% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0007351918599742778 (0.251855% change) large trace change predicted (0.666574%) linmin: converged after 4 iterations. iteration 66: trace = 0.0007302607013486256 (0.672988% change) large trace change predicted (1.44705%) linmin: converged after 4 iterations. iteration 67: trace = 0.0007195516691341203 (1.4773% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000712771360890298 (0.946757% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007101173341151617 (0.373048% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007093654384212544 (0.105939% change) large trace change predicted (0.55778%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007054115335799733 (0.558944% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007043508284997924 (0.15048% change) large trace change predicted (2.1297%) linmin: converged after 3 iterations. iteration 73: trace = 0.000689387783738453 (2.14718% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006869429879500523 (0.355263% change) large trace change predicted (3.46402%) linmin: converged after 3 iterations. iteration 75: trace = 0.000663241973037774 (3.51078% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006461474496980401 (2.61107% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006453825708277717 (0.118445% change) linmin: converged after 3 iterations. iteration 78: trace = 0.000644771042408771 (0.0947993% change) large trace change predicted (0.757839%) linmin: converged after 3 iterations. iteration 79: trace = 0.0006399009415597467 (0.758186% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0006345766138962792 (0.835531% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0006342779858428429 (0.0470705% change) large trace change predicted (0.197479%) linmin: converged after 3 iterations. iteration 82: trace = 0.0006330287779099248 (0.197144% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0006328503458957967 (0.028191% change) large trace change predicted (0.477008%) linmin: converged after 3 iterations. iteration 84: trace = 0.0006298664595372162 (0.472614% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0006297884416291778 (0.0123872% change) large trace change predicted (0.134896%) linmin: converged after 3 iterations. iteration 86: trace = 0.0006289405513806965 (0.134722% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000628899974773689 (0.00645179% change) large trace change predicted (0.114108%) linmin: converged after 2 iterations. iteration 88: trace = 0.0006281819528922642 (0.114236% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0006281612812704136 (0.00329076% change) large trace change predicted (0.19915%) linmin: converged after 4 iterations. iteration 90: trace = 0.0006269048027433132 (0.200225% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0006268416995436522 (0.0100663% change) large trace change predicted (0.0707117%) linmin: converged after 4 iterations. iteration 92: trace = 0.0006263980312008425 (0.0708034% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0006263687788696307 (0.00467004% change) large trace change predicted (0.100754%) linmin: converged after 2 iterations. iteration 94: trace = 0.0006257376260450361 (0.100815% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0006254476225700605 (0.0463566% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0006249214954457557 (0.0841555% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0006249085073483286 (0.00207838% change) large trace change predicted (0.0655912%) linmin: converged after 2 iterations. iteration 98: trace = 0.0006244969880428537 (0.0658744% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0006243594162144645 (0.0220316% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0006242411519433767 (0.0189435% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0006242120429824835 (0.0046632% change) large trace change predicted (0.0168475%) linmin: converged after 2 iterations. iteration 102: trace = 0.0006241068170756991 (0.0168588% change) linmin: converged after 3 iterations. iteration 103: trace = 0.000624013238722175 (0.0149951% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0006240067268226183 (0.00104356% change) large trace change predicted (0.0183095%) linmin: converged after 3 iterations. iteration 105: trace = 0.0006238926340011864 (0.0182856% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0006238881804011359 (0.000713843% change) large trace change predicted (0.0117224%) linmin: converged after 3 iterations. iteration 107: trace = 0.0006238150679887561 (0.0117195% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0006238111858541368 (0.000622323% change) large trace change predicted (0.0102983%) linmin: converged after 2 iterations. iteration 109: trace = 0.0006237468869857381 (0.010308% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000623743326660812 (0.000570798% change) large trace change predicted (0.00283281%) linmin: converged after 2 iterations. iteration 111: trace = 0.0006237256523971056 (0.00283362% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0006237252184688532 (6.95704e-05% change) large trace change predicted (0.00313033%) linmin: converged after 2 iterations. iteration 113: trace = 0.0006237056946706671 (0.00313024% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0006237007607944512 (0.000791062% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0006236986742965005 (0.000334536% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000623697778498448 (0.000143627% change) large trace change predicted (0.0013261%) linmin: converged after 2 iterations. iteration 117: trace = 0.0006236895075212086 (0.00132613% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0006236808514364127 (0.00138789% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0006236804477339186 (6.4729e-05% change) large trace change predicted (0.000231625%) linmin: converged after 2 iterations. iteration 120: trace = 0.0006236790031522427 (0.000231622% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0006236775448099834 (0.000233829% change) large trace change predicted (0.000893709%) linmin: converged after 3 iterations. iteration 122: trace = 0.0006236719715208735 (0.000893621% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0006236719287778083 (6.85345e-06% change) large trace change predicted (0.000268391%) linmin: converged after 2 iterations. iteration 124: trace = 0.0006236702549673367 (0.00026838% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0006236701591373879 (1.53655e-05% change) large trace change predicted (0.000167545%) linmin: converged after 2 iterations. iteration 126: trace = 0.0006236691142128373 (0.000167545% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0006236690826243759 (5.06494e-06% change) large trace change predicted (5.07594e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0006236687660521753 (5.07597e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0006236687434016006 (3.63183e-06% change) large trace change predicted (3.23205e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0006236685418293258 (3.23204e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0006236684592828817 (1.32356e-05% change) large trace change predicted (2.8915e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0006236682789503639 (2.89148e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0006236681122852517 (2.67234e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0006236680961513047 (2.58694e-06% change) large trace change predicted (1.20072e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000623668021265655 (1.20073e-05% change) large trace change predicted (3.59892e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0006236677968098799 (3.59896e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0006236677322588586 (1.03502e-05% change) linmin: converged after 1 iterations. iteration 138: trace = 0.0006236677264374833 (9.3341e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 elapsed time for k point: 0.5990054607391357 total elapsed time for run: 0.6055564880371094 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006464242935180664 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777714664 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684379137825 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325504767729 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107375005632 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169175339375 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490401426092 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993337365355 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068471211492 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042059079865 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268487176006 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915033229693 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447360048019 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462502915275 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808450994881 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690963924738635 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359508692909242 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560607785792776 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220513395261 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098356079333 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725891995251578 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651711028274 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890486465157 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308991731852105 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789088865306127 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905417307022 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218255004265 (1.36254% change) large trace change predicted (6.80506%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438970620748649 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189439707574 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181199991457 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998595881864 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919621318485 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173099892836 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646415904548643 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123158550252 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527365709879191 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717514518891 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255605936798469 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184429300583 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709348123899 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235085925415 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435601355861 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218102265449 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833228231255 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987653737035624 (6.19867% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353331996882992 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190902454992681 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058432716870005 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679702052056745 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163905684561146 (6.12454% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981007598691239 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920806224588651 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831093799169881 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615281850388767 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452606117657019 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399618151057359 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354447922297769 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218265362412171 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000697856188177079 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862156205563847 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814084079920771 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741504129083885 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599992909217021 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513436270725466 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488234806081219 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469458212858577 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416678507492177 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315481800942865 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260133894750784 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237060645345516 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229820697130229 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191860209832679 (0.611197% change) large trace change predicted (1.75539%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083342491997321 (1.76808% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039816651696602 (0.718061% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953484410814782 (1.43967% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790995758315432 (2.76706% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661273599037 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632765099685388 (0.0682848% change) large trace change predicted (0.152934%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624156810539749 (0.152942% change) large trace change predicted (0.911932%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573060269262937 (0.912665% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534006161062365 (0.70323% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527443191066584 (0.118664% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552321941087918 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515158430645728 (0.146054% change) large trace change predicted (0.4562%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490274322829425 (0.452215% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486973491247433 (0.0601395% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485468627342601 (0.0274299% change) large trace change predicted (0.104833%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479724982133001 (0.104761% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475044292173427 (0.0854548% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473523724160804 (0.0277766% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472797511589897 (0.0132686% change) large trace change predicted (0.180542%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462878420895008 (0.181408% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461204694109087 (0.0306429% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458502963189519 (0.0494836% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457795958088253 (0.0129532% change) large trace change predicted (0.0900913%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452879826596135 (0.090116% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451433594486787 (0.0265259% change) large trace change predicted (0.0932206%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446351038593462 (0.0932769% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446244809466873 (0.00195048% change) large trace change predicted (0.0828769%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441708676880529 (0.0833239% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441560011681691 (0.002732% change) large trace change predicted (0.0234907%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440279807558005 (0.0235292% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440224863447266 (0.00100996% change) large trace change predicted (0.0204396%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439112184856256 (0.0204549% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439049728355746 (0.00114829% change) large trace change predicted (0.011884%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438403475056866 (0.0118824% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438367330665794 (0.000664616% change) large trace change predicted (0.0154665%) linmin: converged after 3 iterations. iteration 107: trace = 0.000543752697087774 (0.0154536% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437509115474623 (0.000328374% change) large trace change predicted (0.011514%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436883284916223 (0.0115102% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436849331146313 (0.00062451% change) large trace change predicted (0.00985792%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436313037312725 (0.00986454% change) linmin: converged after 2 iterations. iteration 112: trace = 0.000543628223359947 (0.00056663% change) large trace change predicted (0.00213147%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436166343014158 (0.00213182% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436156475184067 (0.000181522% change) large trace change predicted (0.00286181%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436000893753474 (0.00286202% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435987502667296 (0.000246341% change) large trace change predicted (0.00070217%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435949333241007 (0.000702164% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435930347529871 (0.000349263% change) large trace change predicted (0.00086659%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435883240482468 (0.00086659% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435871532213766 (0.000215389% change) large trace change predicted (0.000869521%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435824266264684 (0.000869523% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435804116347931 (0.000370688% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435791733251679 (0.000227806% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435778115970986 (0.000250512% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435752134192813 (0.000477978% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435740105292129 (0.000221293% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435737678654199 (4.46423e-05% change) large trace change predicted (0.000217273%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435725868624831 (0.000217267% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435725178690948 (1.26926e-05% change) large trace change predicted (0.000125579%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435718352625732 (0.000125578% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435718240520756 (2.06238e-06% change) large trace change predicted (1.96195e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435717174059936 (1.96195e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435717029106233 (2.66669e-06% change) large trace change predicted (4.27178e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435714707094402 (4.27177e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435714592337895 (2.11116e-06% change) large trace change predicted (2.06103e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435713472024306 (2.06102e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435713377516348 (1.73865e-06% change) large trace change predicted (2.10132e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435712235298091 (2.10132e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435712197209179 (7.00716e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.602771520614624 total elapsed time for run: 0.6093053817749023 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.00644373893737793 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396282863191971 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327661774820583 (5.03836% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313475705921865 (1.07424% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142848206012068 (13.8929% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105745914603802 (7.76156% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012549991920008 (4.33903% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009886881715102248 (2.38471% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008866172559986736 (10.8858% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008540877170779537 (3.73751% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008362498806995414 (2.11056% change) large trace change predicted (6.02681%) linmin: converged after 8 iterations. iteration 11: trace = 0.007124056947380951 (15.9938% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006890108051135823 (3.33875% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006697796647905136 (2.83063% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005932474498657827 (12.1189% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005760215701243487 (2.94644% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005429156740668333 (5.91738% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004623726930956197 (16.0239% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004483952645945583 (3.06937% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004429612849642655 (1.21926% change) large trace change predicted (8.67783%) linmin: converged after 6 iterations. iteration 20: trace = 0.003789077339118057 (15.5873% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003338025666279788 (12.6574% change) linmin: converged after 3 iterations. iteration 22: trace = 0.00327898744641217 (1.78444% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003149820606564701 (4.01838% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002848331511886086 (10.0527% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002770456695464114 (2.77194% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002733517993169456 (1.34226% change) large trace change predicted (6.7119%) linmin: converged after 5 iterations. iteration 27: trace = 0.00249541866449024 (9.10699% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002090277746198257 (17.6698% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001989520888825912 (4.93931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001963871598318604 (1.29758% change) large trace change predicted (3.47594%) linmin: converged after 4 iterations. iteration 31: trace = 0.001888954636065791 (3.88894% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001749742206438526 (7.65177% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001703401511992632 (2.68397% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001678658569913396 (1.46319% change) large trace change predicted (5.18144%) linmin: converged after 4 iterations. iteration 35: trace = 0.001580381819025861 (6.03102% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001385927759964756 (13.1108% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00131210670344504 (5.47221% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001288217074245376 (1.83743% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00124481280291372 (3.42706% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001167068511292494 (6.44678% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001133684462048501 (2.90201% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001122485570886648 (0.992735% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001101592563319621 (1.8788% change) large trace change predicted (5.3706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001037151673680227 (6.02605% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009842870945510444 (5.23039% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009678995947540669 (1.67889% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009546160438150928 (1.38189% change) large trace change predicted (3.80118%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009167470664856399 (4.04721% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008643207672027525 (5.88706% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008453159364097478 (2.22326% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008390202919907254 (0.747552% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008298051200213573 (1.10439% change) large trace change predicted (2.55833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008080190557803306 (2.66037% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007916285670295825 (2.04926% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007862346773215591 (0.683695% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007816219256395592 (0.588415% change) large trace change predicted (1.73592%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007678304831492513 (1.78017% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007435387853682708 (3.21453% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007315946497627243 (1.6194% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007266202507370197 (0.682259% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007191451122385416 (1.03407% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0007044525977511783 (2.06414% change) linmin: converged after 4 iterations. iteration 63: trace = 0.000695282534000708 (1.31026% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006926243539884183 (0.383049% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006907570462260792 (0.269963% change) large trace change predicted (0.737695%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006856288673866012 (0.745166% change) large trace change predicted (1.50311%) linmin: converged after 4 iterations. iteration 67: trace = 0.0006751905099789865 (1.53413% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006690887107595544 (0.907817% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006666308441647106 (0.368021% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000665894766388085 (0.110479% change) large trace change predicted (0.583051%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006620147964762438 (0.584373% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006593874374263351 (0.397662% change) large trace change predicted (1.97433%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006463944470280221 (1.99007% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006439167969048978 (0.384039% change) large trace change predicted (3.60299%) linmin: converged after 3 iterations. iteration 75: trace = 0.0006208046970256257 (3.65489% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006051224312618966 (2.55843% change) linmin: converged after 2 iterations. iteration 77: trace = 0.000604072952216302 (0.173583% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006035815759969485 (0.081377% change) large trace change predicted (0.878809%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005982971756225091 (0.879357% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005936478812236818 (0.780119% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005932851237798021 (0.0611252% change) large trace change predicted (0.129434%) linmin: converged after 3 iterations. iteration 82: trace = 0.0005925186070023991 (0.129282% change) linmin: converged after 3 iterations. iteration 83: trace = 0.000591960055657803 (0.0943118% change) large trace change predicted (0.482135%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005891395700538928 (0.477603% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005890401124208346 (0.0168833% change) large trace change predicted (0.0998023%) linmin: converged after 3 iterations. iteration 86: trace = 0.0005884530666239399 (0.0997111% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005882459274655779 (0.0352068% change) large trace change predicted (0.114927%) linmin: converged after 4 iterations. iteration 88: trace = 0.0005875693650862351 (0.11508% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000587543305272246 (0.00443529% change) large trace change predicted (0.146911%) linmin: converged after 4 iterations. iteration 90: trace = 0.0005866773124815705 (0.147501% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0005863762211877528 (0.0513346% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005859485425552975 (0.0729625% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005859110908195348 (0.00639185% change) large trace change predicted (0.101499%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005853164619594724 (0.101539% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005852989941774284 (0.00298438% change) large trace change predicted (0.116394%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005846175651491142 (0.116492% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005845742989223282 (0.00740105% change) large trace change predicted (0.0708106%) linmin: converged after 3 iterations. iteration 98: trace = 0.0005841585976179939 (0.0711371% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005841389166807432 (0.00336917% change) large trace change predicted (0.0329036%) linmin: converged after 2 iterations. iteration 100: trace = 0.0005839462671581598 (0.0329855% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005839312924220021 (0.00256444% change) large trace change predicted (0.020159%) linmin: converged after 2 iterations. iteration 102: trace = 0.0005838134979407432 (0.0201747% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005837926977464084 (0.00356288% change) large trace change predicted (0.0112663%) linmin: converged after 3 iterations. iteration 104: trace = 0.0005837269323053717 (0.0112658% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005837235328225447 (0.000582377% change) large trace change predicted (0.0172364%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005836230367732186 (0.0172179% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005836125833709429 (0.00179114% change) large trace change predicted (0.0105648%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005835509463284357 (0.0105619% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000583548943557202 (0.000343205% change) large trace change predicted (0.0100451%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005834902830011359 (0.0100529% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005834861943973579 (0.000700717% change) large trace change predicted (0.00228227%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005834728751719851 (0.00228272% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005834693550790069 (0.000603302% change) large trace change predicted (0.00250098%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005834547623777851 (0.00250105% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005834540404858312 (0.000123727% change) large trace change predicted (0.000981181%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005834483159081683 (0.000981158% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005834430901088896 (0.000895679% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005834414461653333 (0.000281766% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005834400433657492 (0.000240436% change) large trace change predicted (0.00122504%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005834328958089031 (0.00122508% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005834306998253623 (0.000376391% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005834302300646657 (8.0517e-05% change) large trace change predicted (0.000409962%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005834278383109859 (0.000409948% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005834254794106206 (0.000404318% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005834241979465602 (0.000219645% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005834239135666899 (4.87433e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.000583423502971132 (7.03769e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.000583422949230357 (9.49124e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005834227993077978 (2.56971e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005834227684917472 (5.28194e-06% change) large trace change predicted (3.57128e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005834225601355955 (3.57127e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005834225295461993 (5.24309e-06% change) large trace change predicted (2.86351e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.000583422362483298 (2.8635e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005834223464450269 (2.749e-06% change) large trace change predicted (2.51074e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005834221999629405 (2.51074e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.00058342219538993 (7.83825e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 elapsed time for k point: 0.5910041332244873 total elapsed time for run: 0.5975174903869629 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006486654281616211 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790268 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.0132768437898853 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801723 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373087121 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201356 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408594478 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404148784 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608208342 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.00851704222118967 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739342033 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363859004 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679768137 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857760522 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909872059 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.00569096440599527 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169257514 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.00456060821010163 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918456057 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767679029 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430729385 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527304132 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899247688 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728392793 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266694633 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816060592 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653116322 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243897101418499 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00203418982666898 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583112908 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976138277 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919992986375 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476476021 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286574502 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538390835 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074183369 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884040442 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316142469 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805750662 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709301622 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433342012 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949626725 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450353899 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573672995 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987654075150004 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335328902478 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772391868 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.000905843603216562 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371086195 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908944570634 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010810609025 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420089687 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983086388 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021284734 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609270861203 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621294935281 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060384531 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493096498 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564988841939 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288337826 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087151743126 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190228429 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995939804922 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.000651343926804659 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794191125 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.000646946120148165 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.000641668150522155 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776209362 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834488207 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063575942236 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823626969904 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.000619186313363401 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731002494 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819543710381 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481802038172 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597029591 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393466568 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767884740382 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234450237 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060494775 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553400878652251 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445946537723 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222163975608 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161191541144 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276985997455 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623118544 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471396887906 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715173951 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960304025 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526468641912 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290351699 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158369006 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310184977 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505697904451 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798750558736 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561276532 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125152974 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353772540491 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544126957 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389173067 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712543187 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539104994 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.000544022759221365 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114907770442 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.000543905244210137 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406201691171 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058016967 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529695585573 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838185131 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886018592078 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000543685205660315 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315751933429 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284957862589 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543616907074114 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200036227 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003612569438 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227288949 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063251706 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933071971916 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960222554 (0.000866676% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874256683229 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826997818801 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806840891876 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794453874277 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840457302 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863202293 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.000543574282977934 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740401792663 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593115397 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.000543572790346718 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077078849 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720964946914 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898524405 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719753635313 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717431546869 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717316753547 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196484011 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102019965 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714959753406 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.000543571492165385 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.6036067008972168 total elapsed time for run: 0.6101598739624023 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006476163864135742 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396277298196032 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327673301526956 (5.0371% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313400658270516 (1.08082% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114297290608976 (13.8764% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057309468687718 (7.78659% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012016037562427 (4.3776% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009881894700145501 (2.38241% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008856077207278063 (10.9491% change) linmin: converged after 6 iterations. iteration 9: trace = 0.00852889711208356 (3.76394% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008344493547057696 (2.18573% change) large trace change predicted (6.06381%) linmin: converged after 8 iterations. iteration 11: trace = 0.007099225571323723 (16.1265% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006865992373895782 (3.3402% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00667070716334527 (2.88527% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00589915660385347 (12.2762% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005725769822099184 (2.98302% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005394233041223711 (5.96289% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004591812089424818 (16.0708% change) linmin: converged after 4 iterations. iteration 18: trace = 0.00445313251050142 (3.06646% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004398441239820115 (1.23574% change) large trace change predicted (8.74475%) linmin: converged after 6 iterations. iteration 20: trace = 0.003757498063073872 (15.7172% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003307049624969673 (12.7524% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003248169195357291 (1.79644% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003119780808147482 (4.03233% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002818482765278311 (10.1477% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002740289464254404 (2.81333% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002703514636485685 (1.35107% change) large trace change predicted (6.74778%) linmin: converged after 5 iterations. iteration 27: trace = 0.002467359186283222 (9.13406% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002062259933127763 (17.8867% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001961187580402064 (5.02417% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001935785449808109 (1.30369% change) large trace change predicted (3.47972%) linmin: converged after 4 iterations. iteration 31: trace = 0.001861930146333954 (3.88946% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001721746455471433 (7.82346% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001674547855855682 (2.77942% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001650063402976132 (1.47292% change) large trace change predicted (5.17495%) linmin: converged after 4 iterations. iteration 35: trace = 0.001553854523947406 (6.0057% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001358699736264833 (13.4009% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001283533375633954 (5.68961% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001259889741029367 (1.8592% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001218118516427464 (3.37135% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001141570259086561 (6.488% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001107914320244999 (2.99232% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001096696612124706 (1.01766% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00107608511348011 (1.89725% change) large trace change predicted (5.44733%) linmin: converged after 4 iterations. iteration 44: trace = 0.001012315861074889 (6.10699% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009596843822365965 (5.33788% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009433542370176429 (1.71622% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009300901235621667 (1.41601% change) large trace change predicted (3.90141%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008922288348191729 (4.15529% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008402236786292222 (6.00365% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008215818528877113 (2.24356% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008154335389723907 (0.751161% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008063590029107708 (1.11907% change) large trace change predicted (2.62064%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007846792856303563 (2.72523% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007683178497697246 (2.10708% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007629615245124783 (0.699588% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007583989713909217 (0.599799% change) large trace change predicted (1.77635%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007447092847884817 (1.82152% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007205764148180748 (3.29395% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007087748391403244 (1.65132% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007038858193914895 (0.692172% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006965316867071886 (1.05028% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006821310634054504 (2.08907% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006732272502924638 (1.31387% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006706397275840157 (0.385086% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006687664955433125 (0.279711% change) large trace change predicted (0.773811%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006635582625729859 (0.781826% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006532764523642646 (1.56159% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000647471635683386 (0.892535% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006450938580202934 (0.367916% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006443641358049454 (0.113183% change) large trace change predicted (0.596167%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006405250771876931 (0.59757% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006341861459408103 (0.994567% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006251090623055943 (1.44161% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006222593712673886 (0.456912% change) large trace change predicted (3.61349%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005998530474227994 (3.66682% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000584377672190079 (2.61357% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005836056887257933 (0.132191% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005831765145368019 (0.0735654% change) large trace change predicted (0.940528%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005777134988166324 (0.941177% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005735210833030355 (0.728334% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005729501811564757 (0.0995929% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005724824656888314 (0.0816662% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005716748811387682 (0.141167% change) large trace change predicted (0.473833%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005689973367340476 (0.469468% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005688164359378534 (0.031798% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005685241086939911 (0.0514054% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005680601706819044 (0.0816372% change) linmin: converged after 4 iterations. iteration 88: trace = 0.0005674452625840404 (0.108306% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005673892515685999 (0.00987122% change) large trace change predicted (0.0466111%) linmin: converged after 2 iterations. iteration 90: trace = 0.0005671245107237177 (0.0466704% change) large trace change predicted (0.149567%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005662735341357651 (0.150164% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005659201341625185 (0.0624275% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005658242203234273 (0.0169497% change) large trace change predicted (0.0719274%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005654172724822857 (0.0719471% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005652372676748607 (0.0318408% change) large trace change predicted (0.0910646%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005647224630710792 (0.0911191% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005645479868322843 (0.0309007% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005643908579115849 (0.0278366% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005641061419384266 (0.0504593% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005639955170980961 (0.0196126% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005639228619948328 (0.012883% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005638118885822105 (0.0196808% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005638049972376018 (0.00122228% change) large trace change predicted (0.0112905%) linmin: converged after 3 iterations. iteration 104: trace = 0.000563741348089987 (0.0112899% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005637272110879474 (0.00250774% change) large trace change predicted (0.0167509%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005636328809173244 (0.0167347% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005636302139016803 (0.000473184% change) large trace change predicted (0.011255%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005635668014332474 (0.0112514% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005635622082828253 (0.000815018% change) large trace change predicted (0.0100084%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005635057669609721 (0.0100156% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005635037764394931 (0.00035324% change) large trace change predicted (0.0026277%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005634889662202282 (0.00262827% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005634882607324401 (0.0001252% change) large trace change predicted (0.00291264%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005634718475843435 (0.00291282% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005634714736823187 (6.63568e-05% change) large trace change predicted (0.000998649%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005634658467070818 (0.000998631% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005634622717771309 (0.000634456% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000563459231407282 (0.000539589% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005634586824728996 (9.74222e-05% change) large trace change predicted (0.00131778%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005634512572225869 (0.00131781% change) linmin: converged after 2 iterations. iteration 121: trace = 0.000563449541599581 (0.000304485% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005634488966648199 (0.000114462% change) large trace change predicted (0.000368054%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005634468229267067 (0.000368044% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005634443003502092 (0.000447705% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005634433325083529 (0.000171773% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005634428207723486 (9.0823e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005634422976097212 (9.28511e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005634420043699701 (5.20443e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.000563441846756934 (2.79733e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005634418013849262 (8.05265e-06% change) large trace change predicted (3.45757e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005634416065711358 (3.45757e-05% change) linmin: converged after 1 iterations. iteration 132: trace = 0.0005634415918236781 (2.61739e-06% change) large trace change predicted (2.99597e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.000563441423019242 (2.99595e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005634414058051567 (3.05517e-06% change) large trace change predicted (2.45802e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000563441267310489 (2.45801e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005634412596039246 (1.36777e-06% change) large trace change predicted (3.39941e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.000563441068065134 (3.39945e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.000563441055533467 (2.22413e-06% change) large trace change predicted (8.09133e-06%) linmin: converged after 2 iterations. iteration 139: trace = 0.0005634410099435899 (8.09133e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0005634410032175157 (1.19375e-06% change) large trace change predicted (4.46351e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0005634409780683264 (4.4635e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0005634409654746057 (2.23514e-06% change) large trace change predicted (1.00797e-05%) linmin: converged after 2 iterations. iteration 143: trace = 0.000563440908681759 (1.00796e-05% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0005634408822215145 (4.69619e-06% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0005634408794977984 (4.83408e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 elapsed time for k point: 0.6301355361938477 total elapsed time for run: 0.6366817951202393 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006475210189819336 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790279 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988494 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801603 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373144121 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177222653 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408588507 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993403842299 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607488024 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042220860731 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268738647074 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915362624252 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447678833311 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00664446285672118 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909923032 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406404344 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169344881 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608209595262 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220917694077 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767029675 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892431128894 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527324271 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899157785 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728547439 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266618841 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815738305 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218652875282 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243897101490796 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189827192646 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583249696 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976246106 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993232512 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00169417347662858 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00164641628661143 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538465078 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074588424 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884497108 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316413764 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805990462 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709568645 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433540852 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949737259 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450456544 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573828031 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540753778747 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335330162741 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773283304 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436033259624 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705373050075 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908946178317 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.000798101081167986 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809421090972 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096984263138 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285022581599 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.00074526092717319 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.000739962129565436 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.000735445106115202 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268494206957 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564990025276 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159289314136 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152697722 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507191304969 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940863893 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268837216 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794904634 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202214508 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681506092607 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477707126 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835193845 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576621431 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627653167 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134314227 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344730353767 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544200522 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481792472999 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597313385 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393738378 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885227017 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234313865 (0.152949% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060820175 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553400878679191 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947027221 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552322216445876 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192022421 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986335131 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231642433 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397401571 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715635808 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960657026 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646911789 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290891111 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158850852 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310462049 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698385592 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751141933 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.000545288256175192 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125284867 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773024541 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544612204 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389625204 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712975067 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539585556 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689452 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908238702 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442553742 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202165286 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492352 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696057163 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838653327 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019079089 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057075703 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752388618 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.000543628495833425 (0.000566452% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071218295 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200508298 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613031127 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227760568 (0.000246234% change) large trace change predicted (0.00070207%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063733042 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.00054359330724436 (0.000349365% change) large trace change predicted (0.000866677%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960685875 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257154743 (0.000215301% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998302949 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841363679 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454339354 (0.000227879% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840929216 (0.00025044% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863682015 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830251136 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402262138 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593587193 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903939494 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077550639 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965418655 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898996206 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754107222 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432018639 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317225239 (2.11184e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196955787 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102491798 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960225195 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922125603 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.6024653911590576 total elapsed time for run: 0.6090197563171387 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006507158279418945 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627453234668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327678895732443 (5.03648% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313363091101697 (1.0841% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143038892737028 (13.8678% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057238111550542 (7.79909% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011752134406265 (4.39693% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009879432781964499 (2.38125% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008851061111638534 (10.9807% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008522952955235046 (3.777% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008335408564975862 (2.22494% change) large trace change predicted (6.08184%) linmin: converged after 8 iterations. iteration 11: trace = 0.007087003152221757 (16.1895% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006854146058619612 (3.34057% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006657474932032057 (2.91114% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005882487151484895 (12.3603% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005708413868474088 (3.00362% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005376848409001793 (5.98209% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004576121726576717 (16.0902% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004438061818876427 (3.06317% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004383166022229881 (1.24463% change) large trace change predicted (8.78014%) linmin: converged after 6 iterations. iteration 20: trace = 0.003741707625373545 (15.79% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003291730464789618 (12.7954% change) linmin: converged after 3 iterations. iteration 22: trace = 0.00323296361365317 (1.80137% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003104832650725999 (4.04339% change) linmin: converged after 6 iterations. iteration 24: trace = 0.0028037328238545 (10.192% change) linmin: converged after 4 iterations. iteration 25: trace = 0.00272549979575612 (2.8298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.00268877892825142 (1.35645% change) large trace change predicted (6.77346%) linmin: converged after 5 iterations. iteration 27: trace = 0.002453217042843278 (9.16227% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002048239457654706 (17.9932% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001947146666235006 (5.06048% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001921857262687753 (1.30728% change) large trace change predicted (3.48607%) linmin: converged after 4 iterations. iteration 31: trace = 0.001848427637430311 (3.89518% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001707910804241009 (7.90233% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001660392701845439 (2.82149% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001636012398390305 (1.47921% change) large trace change predicted (5.18152%) linmin: converged after 4 iterations. iteration 35: trace = 0.001540609388307187 (6.00657% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001345179666361946 (13.5443% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00126948431086243 (5.79006% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001245954740020698 (1.87081% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001204877460885485 (3.35211% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001128884041191235 (6.51253% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001095136827332115 (3.03479% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001083916132125791 (1.02987% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00106342611885985 (1.90841% change) large trace change predicted (5.48869%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009999651603088994 (6.15113% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009474780947119102 (5.39036% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009311870209203887 (1.73432% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009179318603988158 (1.43367% change) large trace change predicted (3.95373%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008800680621571141 (4.21177% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008282748494238419 (6.06356% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0008098098649172428 (2.25446% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008037279075855603 (0.753866% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007947097632042897 (1.12837% change) large trace change predicted (2.65329%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007730802281605836 (2.75924% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007567571125206468 (2.13397% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007514269868356672 (0.706827% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007468879959237339 (0.605879% change) large trace change predicted (1.79868%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007332382937661766 (1.8444% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007091847742736814 (3.33515% change) linmin: converged after 4 iterations. iteration 59: trace = 0.000697460119984083 (1.66704% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006926125255783699 (0.697459% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006853107693224471 (1.05982% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006710414599140188 (2.10407% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006622634864220272 (1.31672% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006597098242442245 (0.386341% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006578341892558789 (0.284717% change) large trace change predicted (0.792077%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006525900725209967 (0.800369% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006423889616197569 (1.57549% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006367222354210428 (0.886041% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006343807372669772 (0.36842% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006336539383400986 (0.114634% change) large trace change predicted (0.602878%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006298361502094541 (0.604324% change) large trace change predicted (1.59666%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006197950781763823 (1.60705% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006145237767948023 (0.854123% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006094352906658932 (0.83148% change) large trace change predicted (3.28752%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005894510814058584 (3.3338% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005738959982001474 (2.67419% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005734237191063654 (0.0823274% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005728368908955536 (0.10239% change) large trace change predicted (0.937866%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005674860400448248 (0.93848% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005634781462098142 (0.708757% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005628279215109654 (0.115461% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005624017587877296 (0.0757468% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005615784927448529 (0.146491% change) large trace change predicted (0.462977%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005590077500636137 (0.458821% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005587368022581278 (0.0484812% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005585444875679437 (0.0344255% change) large trace change predicted (0.09806%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005579974550806457 (0.0979869% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005574604311140524 (0.0962876% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005573550114431289 (0.0189125% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000557236712140031 (0.0212274% change) large trace change predicted (0.173746%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005562649121681097 (0.174548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005560155450830856 (0.0448389% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005558214414828518 (0.0349158% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005556746092777762 (0.0264206% change) large trace change predicted (0.0768704%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005552475305163842 (0.0768873% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005549565391509682 (0.0524212% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005545759625776974 (0.0686012% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005545580258742105 (0.00323436% change) large trace change predicted (0.0788885%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005541184642602463 (0.0792948% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005540827416426181 (0.00644696% change) large trace change predicted (0.0221441%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005539598645880117 (0.0221791% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005539509641402986 (0.00160671% change) large trace change predicted (0.0194904%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005538429307990059 (0.0195042% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005538212510814802 (0.00391449% change) large trace change predicted (0.00948118%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005537687493451267 (0.00948036% change) linmin: converged after 3 iterations. iteration 106: trace = 0.0005537545264295007 (0.00256842% change) large trace change predicted (0.0139068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005536775826948541 (0.0138959% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005536699714180234 (0.00137469% change) large trace change predicted (0.0109183%) linmin: converged after 3 iterations. iteration 109: trace = 0.000553609541971647 (0.0109149% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005536073766928733 (0.000391121% change) large trace change predicted (0.00997282%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005535521304986146 (0.00997981% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005535500119164885 (0.000382726% change) large trace change predicted (0.00221526%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005535377473214456 (0.00221565% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005535371237615334 (0.00011265% change) large trace change predicted (0.00299101%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005535205665764597 (0.00299121% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005535202706804172 (5.34571e-05% change) large trace change predicted (0.00100099%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005535147301454523 (0.00100097% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005535144229078852 (5.55067e-05% change) large trace change predicted (0.00104748%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005535086249694815 (0.00104748% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005535083269111417 (5.38489e-05% change) large trace change predicted (0.00126845%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005535013059523242 (0.00126845% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005535011997657242 (1.91845e-05% change) large trace change predicted (0.000431366%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005534988122002452 (0.000431358% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005534985693850205 (4.38692e-05% change) large trace change predicted (0.000714089%) linmin: converged after 2 iterations. iteration 125: trace = 0.0005534946171051055 (0.000714057% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005534945841831638 (5.94801e-06% change) large trace change predicted (0.000246508%) linmin: converged after 2 iterations. iteration 127: trace = 0.0005534932198247655 (0.000246499% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005534931321703183 (1.58366e-05% change) large trace change predicted (0.000135235%) linmin: converged after 2 iterations. iteration 129: trace = 0.0005534923836579644 (0.000135234% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005534923401820672 (7.85483e-06% change) large trace change predicted (2.09979e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005534922239600052 (2.0998e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005534922081138453 (2.86294e-06% change) large trace change predicted (4.04808e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005534919840565648 (4.04807e-05% change) linmin: converged after 1 iterations. iteration 134: trace = 0.0005534919663682655 (3.19576e-06% change) large trace change predicted (2.36162e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000553491835655066 (2.36161e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005534918255761874 (1.82096e-06% change) large trace change predicted (2.26881e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005534916999995936 (2.26881e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005534916950358864 (8.96799e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 elapsed time for k point: 0.5951313972473145 total elapsed time for run: 0.6017088890075684 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006510734558105469 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988492 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801901 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086895 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201632 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.010114904085955 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404152084 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608214096 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221208209 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739370752 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363883305 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679798472 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857791814 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586580890994385 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406082881 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169326547 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210157557 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918506502 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767732578 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430815513 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651752737873 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899318571 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728471123 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266760042 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816117439 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653175258 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014266685 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826749606 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583188529 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976213356 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993059031 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476536888 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286631224 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538449003 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074250917 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884102342 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316196592 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805805558 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00119170970936277 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433404988 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949686181 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450412442 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573731395 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752091424 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329505629 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577299524 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032755809 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371634375 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945122433 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811180984 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420666169 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983658118 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021835698 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271400371 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295472298 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060919515 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493622616 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989352915 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288845188 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152251829 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190742478 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940329203 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268575549 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719898 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202007415 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505737842 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477672626 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000626013683501441 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576469151 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627496076 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134158947 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731370278 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544211068 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801312867 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597499504 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392587 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885225202 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234860933 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060958973 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786967546 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947017196 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450316 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192021463 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986437733 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623166275 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.000548547139736228 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715651212 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960744757 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646912068 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000547280029082484 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158847613 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310603968 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.00054585056983826 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751030312 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753774 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125531656 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016572 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603002 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648834 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713012351 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580679 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689676 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.000543911490824616 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442572321 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166766 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492498 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696060809 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000543751183865938 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019066618 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078605 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.000543631575240461 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338527 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216119 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511586 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613041888 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764274 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063726313 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447329 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.000543588596069549 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158588 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998293033 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367148 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454347649 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932745 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863676812 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254591 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590635 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077554107 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.5992178916931152 total elapsed time for run: 0.6057991981506348 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0065114498138427734 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988492 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801901 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086895 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201632 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.010114904085955 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404152084 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608214096 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221208209 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739370752 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363883305 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679798472 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857791814 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586580890994385 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406082881 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169326547 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210157557 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918506502 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767732578 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430815513 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651752737873 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899318571 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728471123 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266760042 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816117439 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653175258 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014266685 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826749606 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583188529 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976213356 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993059031 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476536888 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286631224 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538449003 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074250917 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884102342 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316196592 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805805558 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00119170970936277 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433404988 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949686181 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450412442 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573731395 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752091424 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329505629 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577299524 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032755809 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371634375 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945122433 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811180984 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420666169 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983658118 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021835698 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271400371 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295472298 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060919515 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493622616 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989352915 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288845188 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152251829 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190742478 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940329203 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268575549 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719898 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202007415 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505737842 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477672626 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000626013683501441 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576469151 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627496076 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134158947 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731370278 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544211068 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801312867 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597499504 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392587 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885225202 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234860933 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060958973 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786967546 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947017196 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450316 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192021463 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986437733 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623166275 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.000548547139736228 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715651212 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960744757 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646912068 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000547280029082484 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158847613 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310603968 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.00054585056983826 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751030312 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753774 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125531656 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016572 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603002 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648834 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713012351 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580679 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689676 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.000543911490824616 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442572321 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166766 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492498 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696060809 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000543751183865938 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019066618 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078605 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.000543631575240461 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338527 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216119 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511586 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613041888 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764274 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063726313 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447329 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.000543588596069549 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158588 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998293033 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367148 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454347649 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932745 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863676812 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254591 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590635 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077554107 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 .elapsed time for k point: 0.5975179672241211 total elapsed time for run: 0.6040999889373779 done /tmp/meepREy4kN/test_point_defect_state-0: 42.10s /tmp/meepREy4kN/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013568401336669922 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13907098770141602 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.385833740234375 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08530020713806152 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07854747772216797 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09109807014465332 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14189982414245605 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10740542411804199 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09101581573486328 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0782933235168457 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07510519027709961 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07483363151550293 Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b01.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b02.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b03.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b04.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b05.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b06.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b07.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b08.te.h5... solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05928468704223633 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.0688166618347168 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09405303001403809 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11031174659729004 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 ..elapsed time for k point: 0.2467949390411377 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.0490245819091797 done /tmp/meepREy4kN/test_poynting-0: 2.05s /tmp/meepREy4kN/test_resolution-0 ======================== /tmp/meepREy4kN/test_resolution-0: 0.00s /tmp/meepREy4kN/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013620853424072266 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1391596794128418 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3863236904144287 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08520889282226562 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07837224006652832 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09065842628479004 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1414179801940918 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10685038566589355 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09082269668579102 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07859659194946289 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0749213695526123 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.0746917724609375 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05926370620727539 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06885933876037598 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09393787384033203 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1100914478302002 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.24660325050354004 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9282703399658203 done /tmp/meepREy4kN/test_run_te-0: 1.93s /tmp/meepREy4kN/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009748935699462891 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 28.19057071787513 (190.727% change) linmin: converged after 7 iterations. iteration 2: trace = 10.91238426133213 (88.3728% change) linmin: converged after 5 iterations. iteration 3: trace = 10.06024105139971 (8.12624% change) linmin: converged after 4 iterations. iteration 4: trace = 10.00201229636663 (0.580481% change) linmin: converged after 4 iterations. iteration 5: trace = 10.00007845652677 (0.0193364% change) linmin: converged after 2 iterations. iteration 6: trace = 10.00000129987289 (0.000771563% change) linmin: converged after 2 iterations. iteration 7: trace = 10.00000004221536 (1.25766e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.00000000175005 (4.04653e-07% change) Finished solving for bands 2 to 8 after 8 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 elapsed time for k point: 0.023209571838378906 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 5 iterations. iteration 1: trace = 9.880000133291681 (2.3702% change) linmin: converged after 2 iterations. iteration 2: trace = 9.880000004055377 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 elapsed time for k point: 0.008629560470581055 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339346 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 elapsed time for k point: 0.005494594573974609 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56717e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 elapsed time for k point: 0.005426645278930664 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43813e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 elapsed time for k point: 0.005434274673461914 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.97997e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 elapsed time for k point: 0.005463600158691406 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 10.88000039707305 (2.97958% change) linmin: converged after 2 iterations. iteration 2: trace = 10.87999995545266 (4.05901e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929 elapsed time for k point: 0.00861215591430664 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 10.72763995153733 (1.77719% change) linmin: converged after 2 iterations. iteration 2: trace = 10.72763986624717 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 elapsed time for k point: 0.008655071258544922 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.85836182238218 (1.70315% change) linmin: converged after 4 iterations. iteration 2: trace = 10.75311149811511 (0.974023% change) linmin: converged after 4 iterations. iteration 3: trace = 10.72171121561062 (0.292438% change) linmin: converged after 4 iterations. iteration 4: trace = 10.72014292833308 (0.0146283% change) linmin: converged after 2 iterations. iteration 5: trace = 10.72002114849349 (0.001136% change) linmin: converged after 2 iterations. iteration 6: trace = 10.72000263415471 (0.000172708% change) linmin: converged after 2 iterations. iteration 7: trace = 10.72000060484828 (1.89301e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.7200001769306 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 elapsed time for k point: 0.027553081512451172 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 11.28000006011032 (3.51788e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.640312, 0.640312, 0.781025, 0.781025, 1.48661, 1.48661, 1.55242, 1.55242 elapsed time for k point: 0.0054531097412109375 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 12.00000000012884 (4.02124e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.707107, 0.707107, 0.707107, 0.707107, 1.58114, 1.58114, 1.58114, 1.58114 elapsed time for k point: 0.00544428825378418 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 11.04529896859918 (2.80917% change) linmin: converged after 2 iterations. iteration 2: trace = 11.04529779144371 (1.06575e-05% change) linmin: converged after 2 iterations. iteration 3: trace = 11.04529660614459 (1.07313e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 11.04529541260548 (1.08059e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 11.04529421072844 (1.08813e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 11.04529300041396 (1.09577e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 11.04529178156084 (1.1035e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 11.04529055406609 (1.11133e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 11.04528931782503 (1.11925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 11.04528807273116 (1.12726e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 11.04528681867615 (1.13538e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 11.04528555554979 (1.14359e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 11.04528428324 (1.1519e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 11.04528300163266 (1.16032e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 11.04528171061168 (1.16884e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 11.04528041005893 (1.17747e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 11.04527909985421 (1.18621e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 11.04527777987509 (1.19506e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 11.04527644999708 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 11.04527511009332 (1.2131e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 11.04527376003476 (1.2223e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 11.04527239968992 (1.23161e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 11.04527102892502 (1.24104e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 11.04526964760372 (1.2506e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 11.04526825558725 (1.26028e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 11.04526685273423 (1.27009e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 11.04526543890069 (1.28004e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 11.04526401393993 (1.29011e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 11.04526257770253 (1.30032e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 11.04526113003624 (1.31067e-05% change) linmin: converged after 2 iterations. iteration 31: trace = 11.04525967078593 (1.32116e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 11.04525819979352 (1.33179e-05% change) linmin: converged after 2 iterations. iteration 33: trace = 11.04525671689793 (1.34256e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 11.04525522193496 (1.35349e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 11.04525371473728 (1.36457e-05% change) linmin: converged after 2 iterations. iteration 36: trace = 11.04525219513427 (1.3758e-05% change) linmin: converged after 2 iterations. iteration 37: trace = 11.04525066295204 (1.38719e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 11.04524911801332 (1.39874e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 11.04524756013732 (1.41045e-05% change) linmin: converged after 2 iterations. iteration 40: trace = 11.04524598913968 (1.42233e-05% change) linmin: converged after 2 iterations. iteration 41: trace = 11.04524440483243 (1.43438e-05% change) linmin: converged after 2 iterations. iteration 42: trace = 11.04524280702389 (1.4466e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 11.04524119551851 (1.459e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 11.0452395701165 (1.47159e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 11.04523793061477 (1.48435e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 11.0452362768057 (1.49731e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 11.04523460847756 (1.51045e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 11.0452329254143 (1.52379e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 11.04523122739539 (1.53733e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 11.04522951419586 (1.55108e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 11.04522778558607 (1.56503e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 11.04522604133166 (1.57919e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 11.04522428119343 (1.59357e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 11.04522250492716 (1.60818e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 11.04522071228361 (1.623e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 11.04521890300823 (1.63806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 11.04521707684125 (1.65336e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 11.04521523351733 (1.66889e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 11.04521337276557 (1.68467e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 11.04521149430935 (1.7007e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 11.04520959786615 (1.71698e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 11.04520768314745 (1.73353e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 11.0452057498586 (1.75034e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 11.04520379769866 (1.76743e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 11.04520182636015 (1.78479e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 11.04519983552916 (1.80244e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 11.04519782488486 (1.82038e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 11.04519579409965 (1.83861e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 11.04519374283882 (1.85715e-05% change) resetting CG direction... large trace change predicted (0.52935%) linmin: converged after 4 iterations. iteration 70: trace = 10.98570566235606 (0.540042% change) linmin: converged after 4 iterations. iteration 71: trace = 10.96854022981744 (0.156375% change) linmin: converged after 4 iterations. iteration 72: trace = 10.96130326736854 (0.066001% change) linmin: converged after 3 iterations. iteration 73: trace = 10.96015412894814 (0.0104841% change) linmin: converged after 2 iterations. iteration 74: trace = 10.96003366816295 (0.00109909% change) linmin: converged after 2 iterations. iteration 75: trace = 10.96000289704679 (0.000280758% change) linmin: converged after 2 iterations. iteration 76: trace = 10.96000031343341 (2.35731e-05% change) linmin: converged after 2 iterations. iteration 77: trace = 10.96000007994673 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 elapsed time for k point: 0.24515938758850098 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.24000001500887 (1.09258e-06% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.424264, 0.761577, 0.761577, 0.989949, 1.33417, 1.33417, 1.47648, 1.47648 elapsed time for k point: 0.005501270294189453 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.840000001756971 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 elapsed time for k point: 0.005454063415527344 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165837 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 elapsed time for k point: 0.005399942398071289 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76508e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 .elapsed time for k point: 0.0046100616455078125 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350691 at Vector3<0.5, 0.0, 0.0> to 1.0000000000464644 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884213 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555262 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7071067811901179 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266777 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 1.0000000000010276 at Vector3<0.0, 0.0, 0.0> to 1.5811388300846385 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085848 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164035 at Vector3<0.2, 0.0, 0.0> to 1.581138830089242 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.802775637652445 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.3775625228881836 done /tmp/meepREy4kN/test_run_te_no_geometry-0: 0.38s /tmp/meepREy4kN/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0019063949584960938 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 37.07995427807216 (187.597% change) linmin: converged after 10 iterations. iteration 2: trace = 15.08208968479109 (84.3443% change) linmin: converged after 5 iterations. iteration 3: trace = 12.99875116715977 (14.8381% change) linmin: converged after 5 iterations. iteration 4: trace = 11.69137614546987 (10.5903% change) linmin: converged after 6 iterations. iteration 5: trace = 10.73396991772583 (8.53861% change) linmin: converged after 6 iterations. iteration 6: trace = 10.10267619616788 (6.05946% change) linmin: converged after 7 iterations. iteration 7: trace = 9.256976067648564 (8.73673% change) linmin: converged after 5 iterations. iteration 8: trace = 8.850990945429702 (4.48405% change) linmin: converged after 5 iterations. iteration 9: trace = 8.599260233942143 (2.88512% change) linmin: converged after 4 iterations. iteration 10: trace = 8.316373997538543 (3.34467% change) linmin: converged after 7 iterations. iteration 11: trace = 8.106938042095054 (2.55047% change) linmin: converged after 5 iterations. iteration 12: trace = 7.905014359807277 (2.52216% change) linmin: converged after 6 iterations. iteration 13: trace = 7.66004402676575 (3.1477% change) linmin: converged after 5 iterations. iteration 14: trace = 7.496221791814361 (2.16178% change) linmin: converged after 6 iterations. iteration 15: trace = 7.355401169824328 (1.89637% change) linmin: converged after 3 iterations. iteration 16: trace = 7.25138037927162 (1.42428% change) linmin: converged after 4 iterations. iteration 17: trace = 7.18127962592026 (0.971418% change) linmin: converged after 4 iterations. iteration 18: trace = 7.129535994668335 (0.72314% change) linmin: converged after 4 iterations. iteration 19: trace = 7.092299379694719 (0.523654% change) linmin: converged after 4 iterations. iteration 20: trace = 7.062880914156482 (0.415657% change) linmin: converged after 4 iterations. iteration 21: trace = 7.04200912493808 (0.295951% change) linmin: converged after 4 iterations. iteration 22: trace = 7.01524989339069 (0.380718% change) linmin: converged after 4 iterations. iteration 23: trace = 6.993639025788045 (0.308531% change) linmin: converged after 8 iterations. iteration 24: trace = 6.975094420246651 (0.265516% change) linmin: converged after 5 iterations. iteration 25: trace = 6.96129066819734 (0.198097% change) linmin: converged after 4 iterations. iteration 26: trace = 6.952090594751325 (0.132248% change) linmin: converged after 4 iterations. iteration 27: trace = 6.944594434093401 (0.107884% change) linmin: converged after 4 iterations. iteration 28: trace = 6.939427076292032 (0.074436% change) linmin: converged after 4 iterations. iteration 29: trace = 6.935335630125506 (0.0589768% change) linmin: converged after 4 iterations. iteration 30: trace = 6.931440743641201 (0.0561758% change) linmin: converged after 3 iterations. iteration 31: trace = 6.927493558556012 (0.0569623% change) linmin: converged after 4 iterations. iteration 32: trace = 6.924575579446426 (0.0421306% change) linmin: converged after 3 iterations. iteration 33: trace = 6.921956091676289 (0.037836% change) linmin: converged after 3 iterations. iteration 34: trace = 6.919902275915221 (0.0296754% change) linmin: converged after 3 iterations. iteration 35: trace = 6.918509942049907 (0.0201227% change) linmin: converged after 3 iterations. iteration 36: trace = 6.917294696916199 (0.0175667% change) linmin: converged after 3 iterations. iteration 37: trace = 6.916553713254161 (0.0107126% change) linmin: converged after 3 iterations. iteration 38: trace = 6.91592195252564 (0.00913446% change) linmin: converged after 3 iterations. iteration 39: trace = 6.915298971377789 (0.00900833% change) linmin: converged after 3 iterations. iteration 40: trace = 6.91474447112174 (0.00801878% change) linmin: converged after 3 iterations. iteration 41: trace = 6.914095943233724 (0.00937935% change) linmin: converged after 3 iterations. iteration 42: trace = 6.913507656487692 (0.00850887% change) linmin: converged after 8 iterations. iteration 43: trace = 6.913069239480913 (0.00634166% change) linmin: converged after 3 iterations. iteration 44: trace = 6.912734881381486 (0.00483673% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912459643390853 (0.00398169% change) linmin: converged after 4 iterations. iteration 46: trace = 6.912146917653812 (0.00452419% change) linmin: converged after 4 iterations. iteration 47: trace = 6.911807830853411 (0.00490579% change) linmin: converged after 4 iterations. iteration 48: trace = 6.911408698906524 (0.00577481% change) linmin: converged after 4 iterations. iteration 49: trace = 6.910951335392645 (0.00661773% change) linmin: converged after 5 iterations. iteration 50: trace = 6.910392908113636 (0.00808065% change) linmin: converged after 3 iterations. iteration 51: trace = 6.909889294482325 (0.00728804% change) linmin: converged after 3 iterations. iteration 52: trace = 6.909402304349431 (0.00704798% change) linmin: converged after 3 iterations. iteration 53: trace = 6.908895116671033 (0.00734081% change) linmin: converged after 4 iterations. iteration 54: trace = 6.908191912501293 (0.0101788% change) linmin: converged after 4 iterations. iteration 55: trace = 6.90710883112386 (0.0156794% change) linmin: converged after 4 iterations. iteration 56: trace = 6.906076217406182 (0.0149511% change) linmin: converged after 4 iterations. iteration 57: trace = 6.904928772548434 (0.0166164% change) linmin: converged after 4 iterations. iteration 58: trace = 6.903780583710775 (0.0166299% change) linmin: converged after 4 iterations. iteration 59: trace = 6.902624626379937 (0.0167452% change) linmin: converged after 4 iterations. iteration 60: trace = 6.900943191340757 (0.0243623% change) linmin: converged after 4 iterations. iteration 61: trace = 6.899190661670234 (0.0253987% change) linmin: converged after 3 iterations. iteration 62: trace = 6.897351294441989 (0.0266642% change) linmin: converged after 4 iterations. iteration 63: trace = 6.895376358666823 (0.0286373% change) linmin: converged after 4 iterations. iteration 64: trace = 6.893892251740695 (0.0215255% change) linmin: converged after 4 iterations. iteration 65: trace = 6.892335263920407 (0.0225876% change) linmin: converged after 7 iterations. iteration 66: trace = 6.890751058062829 (0.0229877% change) linmin: converged after 9 iterations. iteration 67: trace = 6.889435731369418 (0.0190901% change) linmin: converged after 7 iterations. iteration 68: trace = 6.888124775453085 (0.0190303% change) linmin: converged after 4 iterations. iteration 69: trace = 6.886910014225027 (0.0176371% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.884767233747802 (0.0311187% change) linmin: converged after 4 iterations. iteration 71: trace = 6.882633388107598 (0.0309985% change) linmin: converged after 3 iterations. iteration 72: trace = 6.881095113147398 (0.0223526% change) linmin: converged after 3 iterations. iteration 73: trace = 6.879946597465866 (0.0166923% change) linmin: converged after 3 iterations. iteration 74: trace = 6.879316461763979 (0.00915944% change) linmin: converged after 3 iterations. iteration 75: trace = 6.878537080938592 (0.01133% change) linmin: converged after 4 iterations. iteration 76: trace = 6.877914173461376 (0.00905622% change) linmin: converged after 4 iterations. iteration 77: trace = 6.876925949192698 (0.0143691% change) linmin: converged after 4 iterations. iteration 78: trace = 6.875996382391897 (0.0135181% change) linmin: converged after 4 iterations. iteration 79: trace = 6.874606999429915 (0.0202083% change) linmin: converged after 4 iterations. iteration 80: trace = 6.87371438074915 (0.0129851% change) linmin: converged after 4 iterations. iteration 81: trace = 6.872576207635754 (0.0165597% change) linmin: converged after 7 iterations. iteration 82: trace = 6.870977202633987 (0.0232692% change) linmin: converged after 5 iterations. iteration 83: trace = 6.868687858317934 (0.0333246% change) linmin: converged after 4 iterations. iteration 84: trace = 6.867477619854848 (0.0176212% change) linmin: converged after 4 iterations. iteration 85: trace = 6.866565169788672 (0.0132874% change) linmin: converged after 5 iterations. iteration 86: trace = 6.865179368844953 (0.0201839% change) linmin: converged after 4 iterations. iteration 87: trace = 6.862623639477074 (0.0372344% change) linmin: converged after 9 iterations. iteration 88: trace = 6.861124924024436 (0.0218412% change) linmin: converged after 3 iterations. iteration 89: trace = 6.86020411011665 (0.0134216% change) linmin: converged after 4 iterations. iteration 90: trace = 6.858995938766675 (0.0176129% change) linmin: converged after 8 iterations. iteration 91: trace = 6.858118224149518 (0.0127974% change) linmin: converged after 4 iterations. iteration 92: trace = 6.857128033363196 (0.0144393% change) linmin: converged after 4 iterations. iteration 93: trace = 6.856378784887522 (0.0109272% change) linmin: converged after 3 iterations. iteration 94: trace = 6.855983889140656 (0.0057597% change) linmin: converged after 3 iterations. iteration 95: trace = 6.855775833331903 (0.00303471% change) linmin: converged after 3 iterations. iteration 96: trace = 6.855523309343187 (0.00368344% change) linmin: converged after 3 iterations. iteration 97: trace = 6.855274952752101 (0.00362279% change) linmin: converged after 3 iterations. iteration 98: trace = 6.855160805125712 (0.00166512% change) linmin: converged after 4 iterations. iteration 99: trace = 6.855076132484433 (0.00123517% change) linmin: converged after 4 iterations. iteration 100: trace = 6.854953019016813 (0.00179596% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854818094129846 (0.0019683% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854758809724524 (0.000864861% change) linmin: converged after 4 iterations. iteration 103: trace = 6.854718951325869 (0.000581472% change) linmin: converged after 4 iterations. iteration 104: trace = 6.854683880320641 (0.000511634% change) linmin: converged after 4 iterations. iteration 105: trace = 6.854645200256241 (0.000564288% change) linmin: converged after 5 iterations. iteration 106: trace = 6.854612594542651 (0.000475674% change) linmin: converged after 4 iterations. iteration 107: trace = 6.854584016419467 (0.000416919% change) linmin: converged after 4 iterations. iteration 108: trace = 6.854554271133996 (0.000433948% change) linmin: converged after 3 iterations. iteration 109: trace = 6.854529730460362 (0.000358021% change) linmin: converged after 3 iterations. iteration 110: trace = 6.854510325957323 (0.000283091% change) linmin: converged after 3 iterations. iteration 111: trace = 6.85448944087829 (0.000304692% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854472899994951 (0.000241315% change) linmin: converged after 4 iterations. iteration 113: trace = 6.854456195685512 (0.0002437% change) linmin: converged after 6 iterations. iteration 114: trace = 6.854435502377167 (0.000301896% change) linmin: converged after 4 iterations. iteration 115: trace = 6.854411317435466 (0.000352837% change) linmin: converged after 5 iterations. iteration 116: trace = 6.854399035692262 (0.00017918% change) linmin: converged after 4 iterations. iteration 117: trace = 6.85439110503745 (0.000115702% change) large trace change predicted (0.00026524%) linmin: converged after 4 iterations. iteration 118: trace = 6.854372905590728 (0.000265516% change) linmin: converged after 3 iterations. iteration 119: trace = 6.854352891527244 (0.00029199% change) linmin: converged after 4 iterations. iteration 120: trace = 6.85434355890188 (0.000136156% change) linmin: converged after 4 iterations. iteration 121: trace = 6.854338050697774 (8.03608e-05% change) linmin: converged after 4 iterations. iteration 122: trace = 6.854333109605347 (7.20871e-05% change) linmin: converged after 9 iterations. iteration 123: trace = 6.854329720339158 (4.94471e-05% change) linmin: converged after 5 iterations. iteration 124: trace = 6.854326963725112 (4.02171e-05% change) linmin: converged after 11 iterations. iteration 125: trace = 6.854323815940363 (4.59241e-05% change) linmin: converged after 4 iterations. iteration 126: trace = 6.85432065377065 (4.6134e-05% change) linmin: converged after 5 iterations. iteration 127: trace = 6.854318503229075 (3.1375e-05% change) linmin: converged after 3 iterations. iteration 128: trace = 6.85431648171146 (2.94926e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 6.85431496842183 (2.20779e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 6.854314299958991 (9.75244e-06% change) linmin: converged after 4 iterations. iteration 131: trace = 6.854313678981406 (9.05966e-06% change) linmin: converged after 8 iterations. iteration 132: trace = 6.854312884200549 (1.15953e-05% change) linmin: converged after 14 iterations. iteration 133: trace = 6.854311865489204 (1.48623e-05% change) linmin: converged after 9 iterations. iteration 134: trace = 6.8543112985851 (8.27077e-06% change) linmin: converged after 6 iterations. iteration 135: trace = 6.85431082436196 (6.91861e-06% change) linmin: converged after 19 iterations. iteration 136: trace = 6.85431016755307 (9.58242e-06% change) linmin: converged after 4 iterations. iteration 137: trace = 6.854309289832013 (1.28054e-05% change) linmin: converged after 7 iterations. iteration 138: trace = 6.854308657163957 (9.23022e-06% change) linmin: converged after 7 iterations. iteration 139: trace = 6.854307924048323 (1.06957e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 6.854307417903981 (7.38432e-06% change) linmin: converged after 4 iterations. iteration 141: trace = 6.854306969909167 (6.53596e-06% change) linmin: converged after 10 iterations. iteration 142: trace = 6.854306474593885 (7.22634e-06% change) linmin: converged after 5 iterations. iteration 143: trace = 6.854306058607152 (6.06898e-06% change) linmin: converged after 3 iterations. iteration 144: trace = 6.854305757073451 (4.39919e-06% change) linmin: converged after 9 iterations. iteration 145: trace = 6.854305444818706 (4.5556e-06% change) linmin: converged after 4 iterations. iteration 146: trace = 6.854304890203396 (8.09149e-06% change) linmin: converged after 4 iterations. iteration 147: trace = 6.854304491534048 (5.81634e-06% change) linmin: converged after 8 iterations. iteration 148: trace = 6.854304291620394 (2.91661e-06% change) linmin: converged after 4 iterations. iteration 149: trace = 6.854304060869168 (3.36652e-06% change) linmin: converged after 7 iterations. iteration 150: trace = 6.854303700869671 (5.25217e-06% change) linmin: converged after 4 iterations. iteration 151: trace = 6.854303402069196 (4.35931e-06% change) linmin: converged after 7 iterations. iteration 152: trace = 6.854303138078888 (3.85145e-06% change) linmin: converged after 4 iterations. iteration 153: trace = 6.854302877278233 (3.80492e-06% change) linmin: converged after 6 iterations. iteration 154: trace = 6.85430263973824 (3.46556e-06% change) linmin: converged after 8 iterations. iteration 155: trace = 6.854302422483039 (3.16962e-06% change) linmin: converged after 4 iterations. iteration 156: trace = 6.854302260254244 (2.36682e-06% change) linmin: converged after 6 iterations. iteration 157: trace = 6.8543020229519 (3.46209e-06% change) linmin: converged after 8 iterations. iteration 158: trace = 6.854301803061127 (3.20807e-06% change) linmin: converged after 5 iterations. iteration 159: trace = 6.85430155803313 (3.57481e-06% change) linmin: converged after 4 iterations. iteration 160: trace = 6.85430140416215 (2.24488e-06% change) linmin: converged after 5 iterations. iteration 161: trace = 6.854301308348163 (1.39787e-06% change) linmin: converged after 7 iterations. iteration 162: trace = 6.854301245799444 (9.12547e-07% change) linmin: converged after 5 iterations. iteration 163: trace = 6.854301157825049 (1.28349e-06% change) linmin: converged after 5 iterations. iteration 164: trace = 6.854301069005924 (1.29582e-06% change) linmin: converged after 5 iterations. iteration 165: trace = 6.854301009952136 (8.61558e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 6.854300969705365 (5.87175e-07% change) linmin: converged after 4 iterations. iteration 167: trace = 6.854300948076833 (3.15547e-07% change) linmin: converged after 13 iterations. iteration 168: trace = 6.854300932065348 (2.33598e-07% change) linmin: converged after 4 iterations. iteration 169: trace = 6.854300911070707 (3.06299e-07% change) linmin: converged after 4 iterations. iteration 170: trace = 6.85430089188397 (2.79923e-07% change) linmin: converged after 10 iterations. iteration 171: trace = 6.854300881295973 (1.54472e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 6.85430087306035 (1.20153e-07% change) linmin: converged after 11 iterations. iteration 173: trace = 6.854300860996102 (1.7601e-07% change) linmin: converged after 4 iterations. iteration 174: trace = 6.854300852081534 (1.30058e-07% change) linmin: converged after 4 iterations. iteration 175: trace = 6.85430084275424 (1.36079e-07% change) linmin: converged after 6 iterations. iteration 176: trace = 6.854300830272249 (1.82105e-07% change) linmin: converged after 5 iterations. iteration 177: trace = 6.854300822603414 (1.11884e-07% change) linmin: converged after 4 iterations. iteration 178: trace = 6.854300817983078 (6.74078e-08% change) linmin: converged after 4 iterations. iteration 179: trace = 6.854300813562575 (6.44924e-08% change) linmin: converged after 27 iterations. iteration 180: trace = 6.85430080825131 (7.74881e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 6.854300801798455 (9.41431e-08% change) linmin: converged after 5 iterations. iteration 182: trace = 6.854300795434934 (9.28398e-08% change) linmin: converged after 8 iterations. iteration 183: trace = 6.854300791298354 (6.03501e-08% change) linmin: converged after 6 iterations. iteration 184: trace = 6.854300788124082 (4.63107e-08% change) linmin: converged after 4 iterations. iteration 185: trace = 6.854300785155017 (4.33168e-08% change) linmin: converged after 5 iterations. iteration 186: trace = 6.854300781057044 (5.97869e-08% change) linmin: converged after 4 iterations. iteration 187: trace = 6.854300778450468 (3.80283e-08% change) linmin: converged after 4 iterations. iteration 188: trace = 6.854300776974714 (2.15303e-08% change) linmin: converged after 7 iterations. iteration 189: trace = 6.854300775732911 (1.81171e-08% change) linmin: converged after 21 iterations. iteration 190: trace = 6.854300774376568 (1.97882e-08% change) linmin: converged after 4 iterations. iteration 191: trace = 6.854300773192704 (1.72719e-08% change) linmin: converged after 5 iterations. iteration 192: trace = 6.854300772718631 (6.91643e-09% change) linmin: converged after 4 iterations. iteration 193: trace = 6.854300772373036 (5.04201e-09% change) linmin: converged after 4 iterations. iteration 194: trace = 6.854300771833355 (7.87361e-09% change) linmin: converged after 21 iterations. iteration 195: trace = 6.854300771437645 (5.77317e-09% change) linmin: converged after 15 iterations. iteration 196: trace = 6.854300771260495 (2.58451e-09% change) linmin: converged after 4 iterations. iteration 197: trace = 6.854300771187706 (1.06194e-09% change) linmin: converged after 12 iterations. iteration 198: trace = 6.854300771138262 (7.21357e-10% change) linmin: converged after 4 iterations. iteration 199: trace = 6.854300771070114 (9.94239e-10% change) linmin: converged after 9 iterations. iteration 200: trace = 6.85430077100915 (8.89422e-10% change) linmin: converged after 3 iterations. iteration 201: trace = 6.854300770986218 (3.34562e-10% change) linmin: converged after 2 iterations. iteration 202: trace = 6.854300770974715 (1.67819e-10% change) linmin: converged after 3 iterations. iteration 203: trace = 6.854300770964711 (1.45959e-10% change) linmin: converged after 5 iterations. iteration 204: trace = 6.85430077095844 (9.14962e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 1.0353832244873047 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 7.007537457446258 (11.2703% change) linmin: converged after 5 iterations. iteration 2: trace = 7.003247355935917 (0.06124% change) large trace change predicted (0.442958%) linmin: converged after 5 iterations. iteration 3: trace = 6.97513932471041 (0.402164% change) linmin: converged after 5 iterations. iteration 4: trace = 6.971270251122395 (0.0554849% change) large trace change predicted (0.226623%) linmin: converged after 4 iterations. iteration 5: trace = 6.95626746859895 (0.215441% change) linmin: converged after 5 iterations. iteration 6: trace = 6.933392870171838 (0.329376% change) linmin: converged after 5 iterations. iteration 7: trace = 6.931992239405091 (0.0202033% change) large trace change predicted (0.205291%) linmin: converged after 4 iterations. iteration 8: trace = 6.917331484602 (0.211718% change) linmin: converged after 9 iterations. iteration 9: trace = 6.902037331758033 (0.221344% change) linmin: converged after 4 iterations. iteration 10: trace = 6.900816451921457 (0.0176903% change) linmin: converged after 5 iterations. iteration 11: trace = 6.89872058529172 (0.0303759% change) large trace change predicted (0.158392%) linmin: converged after 6 iterations. iteration 12: trace = 6.88813042232098 (0.153627% change) linmin: converged after 3 iterations. iteration 13: trace = 6.885392679745547 (0.0397537% change) linmin: converged after 11 iterations. iteration 14: trace = 6.881023949808716 (0.0634694% change) large trace change predicted (0.551569%) linmin: converged after 6 iterations. iteration 15: trace = 6.85122300444239 (0.434029% change) linmin: converged after 5 iterations. iteration 16: trace = 6.848570426617911 (0.0387243% change) linmin: converged after 3 iterations. iteration 17: trace = 6.846532554158202 (0.0297606% change) large trace change predicted (0.118504%) linmin: converged after 6 iterations. iteration 18: trace = 6.838958717757984 (0.110684% change) linmin: converged after 3 iterations. iteration 19: trace = 6.838261210950048 (0.0101995% change) large trace change predicted (0.0363602%) linmin: converged after 3 iterations. iteration 20: trace = 6.835756740072389 (0.0366311% change) linmin: converged after 4 iterations. iteration 21: trace = 6.831548373033576 (0.061583% change) linmin: converged after 3 iterations. iteration 22: trace = 6.831144949422955 (0.00590548% change) large trace change predicted (0.0574298%) linmin: converged after 4 iterations. iteration 23: trace = 6.827114355778042 (0.0590206% change) linmin: converged after 4 iterations. iteration 24: trace = 6.823314259527984 (0.0556773% change) linmin: converged after 4 iterations. iteration 25: trace = 6.822904154140413 (0.00601054% change) large trace change predicted (0.0472521%) linmin: converged after 4 iterations. iteration 26: trace = 6.819507863331362 (0.0497902% change) linmin: converged after 4 iterations. iteration 27: trace = 6.818042501412231 (0.0214901% change) linmin: converged after 4 iterations. iteration 28: trace = 6.817386915346895 (0.00961592% change) large trace change predicted (0.0746117%) linmin: converged after 10 iterations. iteration 29: trace = 6.811801994343884 (0.0819553% change) linmin: converged after 4 iterations. iteration 30: trace = 6.811011821202275 (0.0116007% change) linmin: converged after 3 iterations. iteration 31: trace = 6.809751574221748 (0.0185048% change) large trace change predicted (0.0614976%) linmin: converged after 4 iterations. iteration 32: trace = 6.805453233659726 (0.0631403% change) linmin: converged after 4 iterations. iteration 33: trace = 6.805025660305189 (0.006283% change) large trace change predicted (0.0298744%) linmin: converged after 3 iterations. iteration 34: trace = 6.80296458043872 (0.0302922% change) linmin: converged after 3 iterations. iteration 35: trace = 6.800346857992223 (0.0384865% change) linmin: converged after 3 iterations. iteration 36: trace = 6.800157595674935 (0.00278317% change) large trace change predicted (0.0152532%) linmin: converged after 4 iterations. iteration 37: trace = 6.799129608070678 (0.0151183% change) linmin: converged after 4 iterations. iteration 38: trace = 6.797753758086779 (0.0202377% change) linmin: converged after 3 iterations. iteration 39: trace = 6.797626620366234 (0.00187031% change) large trace change predicted (0.0096437%) linmin: converged after 4 iterations. iteration 40: trace = 6.796985860133845 (0.00942668% change) linmin: converged after 3 iterations. iteration 41: trace = 6.796346977919242 (0.00939993% change) linmin: converged after 3 iterations. iteration 42: trace = 6.796284310238764 (0.000922083% change) large trace change predicted (0.00629687%) linmin: converged after 4 iterations. iteration 43: trace = 6.79586753547404 (0.00613258% change) linmin: converged after 4 iterations. iteration 44: trace = 6.795406399081847 (0.00678577% change) linmin: converged after 3 iterations. iteration 45: trace = 6.795367590543146 (0.000571101% change) large trace change predicted (0.00284231%) linmin: converged after 4 iterations. iteration 46: trace = 6.795177122079922 (0.00280296% change) linmin: converged after 3 iterations. iteration 47: trace = 6.794940920007555 (0.00347609% change) linmin: converged after 3 iterations. iteration 48: trace = 6.794907137572094 (0.000497172% change) large trace change predicted (0.00433785%) linmin: converged after 4 iterations. iteration 49: trace = 6.794615934362422 (0.0042857% change) linmin: converged after 3 iterations. iteration 50: trace = 6.794255735051849 (0.00530139% change) linmin: converged after 5 iterations. iteration 51: trace = 6.794217401763936 (0.000564203% change) large trace change predicted (0.00335306%) linmin: converged after 4 iterations. iteration 52: trace = 6.793991213313937 (0.00332919% change) linmin: converged after 4 iterations. iteration 53: trace = 6.793728117339382 (0.00387256% change) linmin: converged after 4 iterations. iteration 54: trace = 6.793694259081174 (0.000498376% change) large trace change predicted (0.00365899%) linmin: converged after 4 iterations. iteration 55: trace = 6.793446263052462 (0.00365045% change) linmin: converged after 4 iterations. iteration 56: trace = 6.793196853596192 (0.00367139% change) linmin: converged after 3 iterations. iteration 57: trace = 6.793167323895753 (0.000434696% change) large trace change predicted (0.00302394%) linmin: converged after 10 iterations. iteration 58: trace = 6.792962143072923 (0.00302045% change) linmin: converged after 4 iterations. iteration 59: trace = 6.792775384990048 (0.00274933% change) linmin: converged after 3 iterations. iteration 60: trace = 6.792756987326691 (0.000270842% change) large trace change predicted (0.00165713%) linmin: converged after 4 iterations. iteration 61: trace = 6.792644650610223 (0.00165379% change) linmin: converged after 3 iterations. iteration 62: trace = 6.792550297390947 (0.00138906% change) linmin: converged after 4 iterations. iteration 63: trace = 6.792537664820014 (0.000185977% change) large trace change predicted (0.00160153%) linmin: converged after 4 iterations. iteration 64: trace = 6.792429262685819 (0.00159591% change) linmin: converged after 3 iterations. iteration 65: trace = 6.792340578232512 (0.00130565% change) linmin: converged after 4 iterations. iteration 66: trace = 6.792331552017195 (0.000132888% change) large trace change predicted (0.000841299%) linmin: converged after 4 iterations. iteration 67: trace = 6.792274567195951 (0.000838962% change) linmin: converged after 3 iterations. iteration 68: trace = 6.792237439770127 (0.000546614% change) linmin: converged after 4 iterations. iteration 69: trace = 6.79223260978665 (7.11104e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.792228297655388 (6.34862e-05% change) large trace change predicted (0.00110166%) linmin: converged after 4 iterations. iteration 71: trace = 6.792153695267506 (0.00109836% change) linmin: converged after 6 iterations. iteration 72: trace = 6.792149581450575 (6.05672e-05% change) large trace change predicted (0.000708831%) linmin: converged after 4 iterations. iteration 73: trace = 6.792101528707402 (0.000707477% change) linmin: converged after 4 iterations. iteration 74: trace = 6.792099860237837 (2.45649e-05% change) large trace change predicted (0.000618981%) linmin: converged after 4 iterations. iteration 75: trace = 6.79205787990562 (0.000618078% change) linmin: converged after 4 iterations. iteration 76: trace = 6.792056168827534 (2.51923e-05% change) large trace change predicted (0.000403212%) linmin: converged after 3 iterations. iteration 77: trace = 6.792028766644234 (0.000403445% change) linmin: converged after 3 iterations. iteration 78: trace = 6.792026998181269 (2.60373e-05% change) large trace change predicted (0.000260644%) linmin: converged after 3 iterations. iteration 79: trace = 6.792009274547162 (0.000260948% change) linmin: converged after 3 iterations. iteration 80: trace = 6.79200845159906 (1.21164e-05% change) large trace change predicted (0.000159635%) linmin: converged after 3 iterations. iteration 81: trace = 6.791997598022605 (0.000159799% change) linmin: converged after 3 iterations. iteration 82: trace = 6.791996904947478 (1.02043e-05% change) large trace change predicted (8.62325e-05%) linmin: converged after 3 iterations. iteration 83: trace = 6.791991045301935 (8.62728e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 6.791990706155061 (4.99334e-06% change) large trace change predicted (6.48367e-05%) linmin: converged after 4 iterations. iteration 85: trace = 6.791986302260665 (6.48395e-05% change) linmin: converged after 5 iterations. iteration 86: trace = 6.791986004162207 (4.38897e-06% change) large trace change predicted (5.18509e-05%) linmin: converged after 4 iterations. iteration 87: trace = 6.791982481881336 (5.18594e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.79198179276332 (1.01461e-05% change) large trace change predicted (5.89483e-05%) linmin: converged after 4 iterations. iteration 89: trace = 6.791977794316667 (5.88701e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 6.791976820443474 (1.43386e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 6.791975615140822 (1.7746e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 6.791973900423805 (2.52462e-05% change) linmin: converged after 7 iterations. iteration 93: trace = 6.791973335488525 (8.31769e-06% change) large trace change predicted (1.69316e-05%) linmin: converged after 12 iterations. iteration 94: trace = 6.791972185590867 (1.69302e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 6.79197155135575 (9.33801e-06% change) linmin: converged after 5 iterations. iteration 96: trace = 6.791970944542422 (8.93427e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.791970211866635 (1.07874e-05% change) linmin: converged after 3 iterations. iteration 98: trace = 6.791969818862496 (5.78631e-06% change) linmin: converged after 3 iterations. iteration 99: trace = 6.791969262211649 (8.19572e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 6.791968708602202 (8.15094e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 6.791968653064911 (8.17691e-07% change) large trace change predicted (5.37706e-06%) linmin: converged after 2 iterations. iteration 102: trace = 6.791968287849869 (5.37716e-06% change) linmin: converged after 6 iterations. iteration 103: trace = 6.791968277463236 (1.52925e-07% change) large trace change predicted (2.60221e-06%) linmin: converged after 2 iterations. iteration 104: trace = 6.791968100721677 (2.60221e-06% change) linmin: converged after 6 iterations. iteration 105: trace = 6.791968092878765 (1.15473e-07% change) large trace change predicted (2.0587e-06%) linmin: converged after 3 iterations. iteration 106: trace = 6.791967953051572 (2.05871e-06% change) linmin: converged after 3 iterations. iteration 107: trace = 6.791967948024034 (7.40218e-08% change) large trace change predicted (1.46291e-06%) linmin: converged after 8 iterations. iteration 108: trace = 6.791967848660353 (1.46296e-06% change) linmin: converged after 4 iterations. iteration 109: trace = 6.791967845150555 (5.16757e-08% change) large trace change predicted (1.32858e-06%) linmin: converged after 3 iterations. iteration 110: trace = 6.791967754913359 (1.32859e-06% change) linmin: converged after 21 iterations. iteration 111: trace = 6.791967748472299 (9.48335e-08% change) large trace change predicted (1.1718e-06%) linmin: converged after 5 iterations. iteration 112: trace = 6.791967668877026 (1.1719e-06% change) linmin: converged after 5 iterations. iteration 113: trace = 6.79196766554222 (4.90993e-08% change) large trace change predicted (7.81653e-07%) linmin: converged after 2 iterations. iteration 114: trace = 6.791967612450451 (7.81685e-07% change) linmin: converged after 24 iterations. iteration 115: trace = 6.791967610959208 (2.1956e-08% change) large trace change predicted (2.94444e-07%) linmin: converged after 3 iterations. iteration 116: trace = 6.791967590960216 (2.94451e-07% change) linmin: converged after 8 iterations. iteration 117: trace = 6.791967587005427 (5.82274e-08% change) large trace change predicted (2.45919e-07%) linmin: converged after 30 iterations. iteration 118: trace = 6.791967570302307 (2.45925e-07% change) linmin: converged after 4 iterations. iteration 119: trace = 6.79196756206063 (1.21344e-07% change) linmin: converged after 5 iterations. iteration 120: trace = 6.791967546140414 (2.34398e-07% change) linmin: converged after 18 iterations. iteration 121: trace = 6.791967543171825 (4.37073e-08% change) large trace change predicted (2.56507e-07%) linmin: converged after 16 iterations. iteration 122: trace = 6.791967525749222 (2.56518e-07% change) linmin: converged after 8 iterations. iteration 123: trace = 6.79196752451914 (1.81108e-08% change) large trace change predicted (6.60925e-08%) linmin: converged after 15 iterations. iteration 124: trace = 6.79196752003006 (6.6094e-08% change) linmin: converged after 5 iterations. iteration 125: trace = 6.791967517036195 (4.40795e-08% change) linmin: converged after 19 iterations. iteration 126: trace = 6.791967516053871 (1.4463e-08% change) large trace change predicted (4.7355e-08%) linmin: converged after 7 iterations. iteration 127: trace = 6.79196751283756 (4.73546e-08% change) linmin: converged after 6 iterations. iteration 128: trace = 6.791967512591317 (3.6255e-09% change) large trace change predicted (4.03429e-08%) linmin: converged after 26 iterations. iteration 129: trace = 6.791967509851213 (4.03433e-08% change) linmin: converged after 27 iterations. iteration 130: trace = 6.791967509713659 (2.02524e-09% change) large trace change predicted (5.30423e-08%) linmin: converged after 9 iterations. iteration 131: trace = 6.791967506110998 (5.3043e-08% change) linmin: converged after 4 iterations. iteration 132: trace = 6.791967505801535 (4.5563e-09% change) large trace change predicted (5.32642e-08%) linmin: converged after 7 iterations. iteration 133: trace = 6.791967502183798 (5.32649e-08% change) linmin: converged after 6 iterations. iteration 134: trace = 6.79196750191726 (3.92431e-09% change) large trace change predicted (2.31904e-08%) linmin: converged after 7 iterations. iteration 135: trace = 6.79196750034217 (2.31905e-08% change) linmin: converged after 6 iterations. iteration 136: trace = 6.791967500260601 (1.20097e-09% change) large trace change predicted (1.46637e-08%) linmin: converged after 3 iterations. iteration 137: trace = 6.791967499264651 (1.46636e-08% change) linmin: converged after 5 iterations. iteration 138: trace = 6.791967499226701 (5.58736e-10% change) large trace change predicted (1.25371e-08%) linmin: converged after 4 iterations. iteration 139: trace = 6.791967498375169 (1.25373e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 6.791967498292051 (1.22378e-09% change) large trace change predicted (2.54594e-09%) linmin: converged after 6 iterations. iteration 141: trace = 6.791967498119134 (2.5459e-09% change) linmin: converged after 26 iterations. iteration 142: trace = 6.791967497955175 (2.41401e-09% change) linmin: converged after 27 iterations. iteration 143: trace = 6.791967497875718 (1.16987e-09% change) large trace change predicted (3.67353e-09%) linmin: converged after 7 iterations. iteration 144: trace = 6.791967497626207 (3.67363e-09% change) linmin: converged after 6 iterations. iteration 145: trace = 6.791967497592159 (5.0129e-10% change) large trace change predicted (6.23283e-09%) linmin: converged after 20 iterations. iteration 146: trace = 6.791967497168824 (6.23288e-09% change) linmin: converged after 4 iterations. iteration 147: trace = 6.791967497130071 (5.70571e-10% change) large trace change predicted (4.56836e-09%) linmin: converged after 19 iterations. iteration 148: trace = 6.791967496819786 (4.56841e-09% change) linmin: converged after 6 iterations. iteration 149: trace = 6.791967496790313 (4.33944e-10% change) large trace change predicted (2.16893e-09%) linmin: converged after 22 iterations. iteration 150: trace = 6.791967496643008 (2.1688e-09% change) linmin: converged after 4 iterations. iteration 151: trace = 6.79196749651947 (1.81889e-09% change) linmin: converged after 6 iterations. iteration 152: trace = 6.791967496513665 (8.54575e-11% change) Finished solving for bands 1 to 8 after 152 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 elapsed time for k point: 0.9187872409820557 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.779233704149505 (0.029341% change) large trace change predicted (0.119594%) linmin: converged after 4 iterations. iteration 2: trace = 6.77122872818564 (0.118151% change) linmin: converged after 4 iterations. iteration 3: trace = 6.76788727287084 (0.04936% change) linmin: converged after 4 iterations. iteration 4: trace = 6.76677160790444 (0.016486% change) linmin: converged after 4 iterations. iteration 5: trace = 6.76553524136044 (0.0182728% change) linmin: converged after 4 iterations. iteration 6: trace = 6.765292028812663 (0.00359494% change) large trace change predicted (0.0160508%) linmin: converged after 4 iterations. iteration 7: trace = 6.764215362151291 (0.0159158% change) linmin: converged after 4 iterations. iteration 8: trace = 6.7640744078539 (0.00208385% change) large trace change predicted (0.00881556%) linmin: converged after 3 iterations. iteration 9: trace = 6.763478317595627 (0.00881298% change) linmin: converged after 4 iterations. iteration 10: trace = 6.763112350468273 (0.00541108% change) linmin: converged after 3 iterations. iteration 11: trace = 6.762840550271752 (0.00401894% change) linmin: converged after 3 iterations. iteration 12: trace = 6.762589674807687 (0.00370969% change) linmin: converged after 3 iterations. iteration 13: trace = 6.762500230376306 (0.00132264% change) large trace change predicted (0.00532386%) linmin: converged after 3 iterations. iteration 14: trace = 6.762138330078653 (0.00535172% change) linmin: converged after 3 iterations. iteration 15: trace = 6.762074172755888 (0.000948777% change) large trace change predicted (0.00413001%) linmin: converged after 3 iterations. iteration 16: trace = 6.761792961235461 (0.00415874% change) linmin: converged after 3 iterations. iteration 17: trace = 6.761637719094955 (0.0022959% change) linmin: converged after 3 iterations. iteration 18: trace = 6.761443529734488 (0.00287197% change) linmin: converged after 3 iterations. iteration 19: trace = 6.76135434542317 (0.00131902% change) linmin: converged after 5 iterations. iteration 20: trace = 6.761311766874297 (0.000629736% change) linmin: converged after 3 iterations. iteration 21: trace = 6.761229363792483 (0.00121875% change) linmin: converged after 5 iterations. iteration 22: trace = 6.761215170610098 (0.00020992% change) large trace change predicted (0.00157727%) linmin: converged after 4 iterations. iteration 23: trace = 6.761108563625406 (0.00157676% change) linmin: converged after 5 iterations. iteration 24: trace = 6.761092201397894 (0.000242005% change) large trace change predicted (0.00138267%) linmin: converged after 4 iterations. iteration 25: trace = 6.760998715872192 (0.00138271% change) linmin: converged after 4 iterations. iteration 26: trace = 6.760981371877431 (0.00025653% change) large trace change predicted (0.000658079%) linmin: converged after 3 iterations. iteration 27: trace = 6.760936824920137 (0.000658885% change) linmin: converged after 4 iterations. iteration 28: trace = 6.760923447438236 (0.000197865% change) linmin: converged after 3 iterations. iteration 29: trace = 6.760910147592869 (0.000196717% change) linmin: converged after 3 iterations. iteration 30: trace = 6.760890311372713 (0.000293396% change) linmin: converged after 3 iterations. iteration 31: trace = 6.760887282168232 (4.48048e-05% change) large trace change predicted (0.000191206%) linmin: converged after 3 iterations. iteration 32: trace = 6.760874346615541 (0.000191329% change) linmin: converged after 14 iterations. iteration 33: trace = 6.760867978531046 (9.41903e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 6.760856625784806 (0.000167919% change) linmin: converged after 3 iterations. iteration 35: trace = 6.760852346347988 (6.32973e-05% change) large trace change predicted (0.00015525%) linmin: converged after 10 iterations. iteration 36: trace = 6.760841857753364 (0.000155137% change) linmin: converged after 3 iterations. iteration 37: trace = 6.76083824537612 (5.34309e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 6.760832929740303 (7.86239e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.760829446462945 (5.15214e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 6.760828407253998 (1.5371e-05% change) large trace change predicted (5.882e-05%) linmin: converged after 4 iterations. iteration 41: trace = 6.760824431226565 (5.88098e-05% change) linmin: converged after 4 iterations. iteration 42: trace = 6.760823706351393 (1.07217e-05% change) large trace change predicted (5.521e-05%) linmin: converged after 5 iterations. iteration 43: trace = 6.760819975268813 (5.51868e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.760818933583168 (1.54077e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 6.760817397451483 (2.27211e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 6.760816506038232 (1.3185e-05% change) linmin: converged after 4 iterations. iteration 47: trace = 6.760816128060983 (5.5907e-06% change) large trace change predicted (1.42013e-05%) linmin: converged after 3 iterations. iteration 48: trace = 6.76081516794176 (1.42012e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.760815037114783 (1.93508e-06% change) large trace change predicted (1.2274e-05%) linmin: converged after 3 iterations. iteration 50: trace = 6.760814207181001 (1.22756e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.760814122635201 (1.25053e-06% change) large trace change predicted (7.52087e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.760813614112545 (7.52162e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 6.760813438657451 (2.59518e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.760813112228708 (4.82825e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.760812964855113 (2.17982e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.760812805891664 (2.35125e-06% change) linmin: converged after 2 iterations. iteration 57: trace = 6.760812667531352 (2.0465e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.76081262757927 (5.90936e-07% change) large trace change predicted (1.7818e-06%) linmin: converged after 31 iterations. iteration 59: trace = 6.760812507117609 (1.78176e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.760812489141085 (2.65893e-07% change) large trace change predicted (1.67945e-06%) linmin: converged after 3 iterations. iteration 61: trace = 6.760812375599103 (1.67941e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.760812364017938 (1.71298e-07% change) large trace change predicted (7.34453e-07%) linmin: converged after 3 iterations. iteration 63: trace = 6.760812314362155 (7.34465e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.760812300203789 (2.09418e-07% change) large trace change predicted (4.297e-07%) linmin: converged after 4 iterations. iteration 65: trace = 6.760812271152631 (4.29699e-07% change) linmin: converged after 2 iterations. iteration 66: trace = 6.760812246336019 (3.67066e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.76081223489381 (1.69243e-07% change) large trace change predicted (3.52972e-07%) linmin: converged after 2 iterations. iteration 68: trace = 6.760812211029217 (3.52984e-07% change) linmin: converged after 3 iterations. iteration 69: trace = 6.760812207709524 (4.9102e-08% change) resetting CG direction... linmin: converged after 26 iterations. iteration 70: trace = 6.760812205115937 (3.83621e-08% change) large trace change predicted (1.10414e-07%) linmin: converged after 13 iterations. iteration 71: trace = 6.76081219765096 (1.10415e-07% change) linmin: converged after 5 iterations. iteration 72: trace = 6.760812193099664 (6.73188e-08% change) linmin: converged after 10 iterations. iteration 73: trace = 6.760812189419833 (5.44288e-08% change) linmin: converged after 19 iterations. iteration 74: trace = 6.760812183684703 (8.4829e-08% change) linmin: converged after 19 iterations. iteration 75: trace = 6.760812181798141 (2.79044e-08% change) large trace change predicted (7.9846e-08%) linmin: converged after 3 iterations. iteration 76: trace = 6.760812176399958 (7.98452e-08% change) linmin: converged after 22 iterations. iteration 77: trace = 6.760812174751578 (2.43814e-08% change) large trace change predicted (1.12482e-07%) linmin: converged after 7 iterations. iteration 78: trace = 6.760812167146861 (1.12482e-07% change) linmin: converged after 6 iterations. iteration 79: trace = 6.760812165135612 (2.97486e-08% change) large trace change predicted (6.68494e-08%) linmin: converged after 4 iterations. iteration 80: trace = 6.760812160616077 (6.6849e-08% change) linmin: converged after 7 iterations. iteration 81: trace = 6.760812157149175 (5.12794e-08% change) linmin: converged after 12 iterations. iteration 82: trace = 6.760812155153886 (2.95126e-08% change) linmin: converged after 4 iterations. iteration 83: trace = 6.760812151447763 (5.48177e-08% change) linmin: converged after 4 iterations. iteration 84: trace = 6.760812149596605 (2.73807e-08% change) linmin: converged after 32 iterations. iteration 85: trace = 6.760812149144228 (6.69116e-09% change) large trace change predicted (1.60166e-08%) linmin: converged after 4 iterations. iteration 86: trace = 6.76081214806138 (1.60165e-08% change) linmin: converged after 6 iterations. iteration 87: trace = 6.760812147844664 (3.20547e-09% change) large trace change predicted (1.30127e-08%) linmin: converged after 8 iterations. iteration 88: trace = 6.76081214696491 (1.30125e-08% change) linmin: converged after 7 iterations. iteration 89: trace = 6.760812146818285 (2.16875e-09% change) large trace change predicted (1.02578e-08%) linmin: converged after 4 iterations. iteration 90: trace = 6.760812146124769 (1.02579e-08% change) linmin: converged after 14 iterations. iteration 91: trace = 6.760812145778652 (5.11946e-09% change) linmin: converged after 6 iterations. iteration 92: trace = 6.760812145286503 (7.27943e-09% change) linmin: converged after 18 iterations. iteration 93: trace = 6.760812144857756 (6.34166e-09% change) linmin: converged after 5 iterations. iteration 94: trace = 6.760812144781973 (1.12091e-09% change) large trace change predicted (3.99531e-09%) linmin: converged after 4 iterations. iteration 95: trace = 6.76081214451185 (3.99542e-09% change) linmin: converged after 20 iterations. iteration 96: trace = 6.760812144391321 (1.78276e-09% change) linmin: converged after 15 iterations. iteration 97: trace = 6.760812144325781 (9.69404e-10% change) large trace change predicted (2.03564e-09%) linmin: converged after 21 iterations. iteration 98: trace = 6.760812144188145 (2.03579e-09% change) linmin: converged after 9 iterations. iteration 99: trace = 6.760812144171469 (2.46663e-10% change) large trace change predicted (1.70611e-09%) linmin: converged after 6 iterations. iteration 100: trace = 6.76081214405612 (1.70615e-09% change) linmin: converged after 3 iterations. iteration 101: trace = 6.760812144045055 (1.6365e-10% change) large trace change predicted (1.05652e-09%) linmin: converged after 24 iterations. iteration 102: trace = 6.76081214397362 (1.05661e-09% change) linmin: converged after 15 iterations. iteration 103: trace = 6.760812143935601 (5.62349e-10% change) linmin: converged after 4 iterations. iteration 104: trace = 6.760812143927473 (1.20218e-10% change) large trace change predicted (6.25294e-10%) linmin: converged after 7 iterations. iteration 105: trace = 6.760812143885199 (6.25276e-10% change) linmin: converged after 4 iterations. iteration 106: trace = 6.760812143880038 (7.634e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 elapsed time for k point: 0.6427619457244873 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.812819628661698 (0.0683397% change) linmin: converged after 3 iterations. iteration 2: trace = 6.809521839523517 (0.0484174% change) linmin: converged after 4 iterations. iteration 3: trace = 6.806878732572187 (0.0388224% change) linmin: converged after 3 iterations. iteration 4: trace = 6.806531561470045 (0.00510043% change) linmin: converged after 4 iterations. iteration 5: trace = 6.805858812206997 (0.00988437% change) linmin: converged after 3 iterations. iteration 6: trace = 6.805278685201517 (0.0085243% change) linmin: converged after 4 iterations. iteration 7: trace = 6.805018736097988 (0.00381989% change) large trace change predicted (0.00764423%) linmin: converged after 4 iterations. iteration 8: trace = 6.804499759913973 (0.00762666% change) linmin: converged after 4 iterations. iteration 9: trace = 6.804166052150458 (0.00490434% change) linmin: converged after 3 iterations. iteration 10: trace = 6.803799208029116 (0.00539161% change) linmin: converged after 3 iterations. iteration 11: trace = 6.803510143991208 (0.00424866% change) linmin: converged after 4 iterations. iteration 12: trace = 6.803404288453464 (0.00155591% change) large trace change predicted (0.00417121%) linmin: converged after 3 iterations. iteration 13: trace = 6.803119569090784 (0.00418504% change) linmin: converged after 3 iterations. iteration 14: trace = 6.802867680929271 (0.00370261% change) linmin: converged after 3 iterations. iteration 15: trace = 6.802805669214712 (0.000911557% change) large trace change predicted (0.00372648%) linmin: converged after 3 iterations. iteration 16: trace = 6.802551006257156 (0.00374357% change) linmin: converged after 3 iterations. iteration 17: trace = 6.802508919730908 (0.000618689% change) large trace change predicted (0.00153183%) linmin: converged after 3 iterations. iteration 18: trace = 6.802404656420902 (0.00153273% change) linmin: converged after 3 iterations. iteration 19: trace = 6.802277520532822 (0.001869% change) linmin: converged after 5 iterations. iteration 20: trace = 6.802247414155069 (0.000442594% change) large trace change predicted (0.001287%) linmin: converged after 3 iterations. iteration 21: trace = 6.802159763861424 (0.00128856% change) linmin: converged after 3 iterations. iteration 22: trace = 6.80209711638325 (0.000920998% change) linmin: converged after 3 iterations. iteration 23: trace = 6.802077237360788 (0.000292249% change) large trace change predicted (0.000723376%) linmin: converged after 4 iterations. iteration 24: trace = 6.802028031576383 (0.000723396% change) linmin: converged after 6 iterations. iteration 25: trace = 6.802006288669485 (0.000319654% change) linmin: converged after 3 iterations. iteration 26: trace = 6.801991481607076 (0.000217687% change) linmin: converged after 5 iterations. iteration 27: trace = 6.801969367927593 (0.000325106% change) linmin: converged after 3 iterations. iteration 28: trace = 6.801957903045565 (0.000168553% change) linmin: converged after 3 iterations. iteration 29: trace = 6.801951813831908 (8.95215e-05% change) large trace change predicted (0.000209749%) linmin: converged after 3 iterations. iteration 30: trace = 6.801937548635867 (0.000209722% change) linmin: converged after 5 iterations. iteration 31: trace = 6.801934525942378 (4.44387e-05% change) large trace change predicted (0.000222054%) linmin: converged after 5 iterations. iteration 32: trace = 6.801919425329486 (0.000222005% change) linmin: converged after 4 iterations. iteration 33: trace = 6.801915441680219 (5.85666e-05% change) large trace change predicted (0.0001179%) linmin: converged after 4 iterations. iteration 34: trace = 6.801907423888882 (0.000117876% change) linmin: converged after 3 iterations. iteration 35: trace = 6.801902761556573 (6.85445e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 6.801901494015955 (1.86351e-05% change) large trace change predicted (5.41487e-05%) linmin: converged after 5 iterations. iteration 37: trace = 6.801897811034239 (5.41464e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.801895866748854 (2.85845e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.801893985482835 (2.7658e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.80189147262107 (3.69436e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.801890700845299 (1.13465e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.801889235431657 (2.15442e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 6.801888224442996 (1.48634e-05% change) linmin: converged after 20 iterations. iteration 44: trace = 6.801887980840492 (3.5814e-06% change) large trace change predicted (7.42495e-06%) linmin: converged after 3 iterations. iteration 45: trace = 6.801887475818182 (7.42474e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.801887185178447 (4.27293e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 6.801886748234615 (6.42386e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.801885976399346 (1.13474e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.801885695022007 (4.13675e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 6.801885358625245 (4.94564e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.801885217423139 (2.07593e-06% change) linmin: converged after 17 iterations. iteration 52: trace = 6.801885140510589 (1.13075e-06% change) linmin: converged after 23 iterations. iteration 53: trace = 6.8018850178674 (1.80308e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.801884972661144 (6.64614e-07% change) large trace change predicted (1.67237e-06%) linmin: converged after 2 iterations. iteration 55: trace = 6.801884858907663 (1.67238e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 6.801884766735803 (1.35509e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 6.801884743365361 (3.43588e-07% change) large trace change predicted (7.51348e-07%) linmin: converged after 2 iterations. iteration 58: trace = 6.801884692259104 (7.51354e-07% change) linmin: converged after 7 iterations. iteration 59: trace = 6.801884672406457 (2.9187e-07% change) linmin: converged after 6 iterations. iteration 60: trace = 6.801884645652149 (3.93337e-07% change) linmin: converged after 3 iterations. iteration 61: trace = 6.801884622534045 (3.39878e-07% change) linmin: converged after 15 iterations. iteration 62: trace = 6.801884613615423 (1.3112e-07% change) large trace change predicted (2.88122e-07%) linmin: converged after 3 iterations. iteration 63: trace = 6.801884594016905 (2.88134e-07% change) linmin: converged after 8 iterations. iteration 64: trace = 6.801884584516095 (1.39679e-07% change) linmin: converged after 3 iterations. iteration 65: trace = 6.801884576469059 (1.18306e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.80188456659482 (1.45169e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.801884562881307 (5.45954e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.801884555493325 (1.08617e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.801884549058733 (9.46001e-08% change) resetting CG direction... linmin: converged after 15 iterations. iteration 70: trace = 6.801884547554034 (2.21218e-08% change) linmin: converged after 4 iterations. iteration 71: trace = 6.801884545383357 (3.19129e-08% change) linmin: converged after 8 iterations. iteration 72: trace = 6.801884544195199 (1.74681e-08% change) linmin: converged after 6 iterations. iteration 73: trace = 6.80188454315787 (1.52506e-08% change) linmin: converged after 5 iterations. iteration 74: trace = 6.801884541809432 (1.98245e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.801884541427446 (5.61588e-09% change) large trace change predicted (1.89351e-08%) linmin: converged after 4 iterations. iteration 76: trace = 6.801884540139519 (1.89349e-08% change) linmin: converged after 5 iterations. iteration 77: trace = 6.801884539692212 (6.57622e-09% change) linmin: converged after 7 iterations. iteration 78: trace = 6.801884539101566 (8.68356e-09% change) linmin: converged after 9 iterations. iteration 79: trace = 6.801884538450174 (9.57664e-09% change) linmin: converged after 3 iterations. iteration 80: trace = 6.801884538253588 (2.89018e-09% change) large trace change predicted (1.02646e-08%) linmin: converged after 4 iterations. iteration 81: trace = 6.8018845375554 (1.02646e-08% change) linmin: converged after 22 iterations. iteration 82: trace = 6.801884537150822 (5.94804e-09% change) linmin: converged after 5 iterations. iteration 83: trace = 6.801884536946329 (3.00641e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 6.801884536587771 (5.27146e-09% change) linmin: converged after 23 iterations. iteration 85: trace = 6.801884536358836 (3.36576e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.801884536234699 (1.82504e-09% change) linmin: converged after 14 iterations. iteration 87: trace = 6.801884536094423 (2.0623e-09% change) linmin: converged after 21 iterations. iteration 88: trace = 6.80188453605223 (6.20325e-10% change) large trace change predicted (1.76175e-09%) linmin: converged after 16 iterations. iteration 89: trace = 6.801884535932403 (1.76167e-09% change) linmin: converged after 3 iterations. iteration 90: trace = 6.801884535896058 (5.34339e-10% change) large trace change predicted (1.18821e-09%) linmin: converged after 6 iterations. iteration 91: trace = 6.801884535815229 (1.18833e-09% change) linmin: converged after 4 iterations. iteration 92: trace = 6.801884535775458 (5.84703e-10% change) linmin: converged after 16 iterations. iteration 93: trace = 6.80188453576309 (1.8183e-10% change) large trace change predicted (4.52487e-10%) linmin: converged after 3 iterations. iteration 94: trace = 6.801884535732312 (4.52493e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 6.801884535718283 (2.06248e-10% change) linmin: converged after 2 iterations. iteration 96: trace = 6.80188453570752 (1.58235e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 6.80188453569156 (2.34649e-10% change) linmin: converged after 10 iterations. iteration 98: trace = 6.801884535683443 (1.19335e-10% change) linmin: converged after 7 iterations. iteration 99: trace = 6.801884535667818 (2.29713e-10% change) linmin: converged after 12 iterations. iteration 100: trace = 6.801884535652636 (2.23197e-10% change) linmin: converged after 5 iterations. iteration 101: trace = 6.801884535649821 (4.13933e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 elapsed time for k point: 0.6125421524047852 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925882038649622 (0.0869782% change) linmin: converged after 3 iterations. iteration 2: trace = 6.922922600920973 (0.0427393% change) linmin: converged after 4 iterations. iteration 3: trace = 6.920648510496537 (0.0328541% change) linmin: converged after 3 iterations. iteration 4: trace = 6.919688753726099 (0.013869% change) linmin: converged after 4 iterations. iteration 5: trace = 6.919278633938682 (0.00592703% change) large trace change predicted (0.014567%) linmin: converged after 4 iterations. iteration 6: trace = 6.918274802967817 (0.0145088% change) linmin: converged after 4 iterations. iteration 7: trace = 6.917573100309901 (0.0101433% change) linmin: converged after 3 iterations. iteration 8: trace = 6.91717052878642 (0.00581972% change) linmin: converged after 4 iterations. iteration 9: trace = 6.916380857969879 (0.0114167% change) linmin: converged after 3 iterations. iteration 10: trace = 6.915938511134318 (0.00639584% change) linmin: converged after 4 iterations. iteration 11: trace = 6.915627903828851 (0.00449128% change) linmin: converged after 3 iterations. iteration 12: trace = 6.915057595408163 (0.008247% change) linmin: converged after 3 iterations. iteration 13: trace = 6.914570533658709 (0.00704374% change) linmin: converged after 4 iterations. iteration 14: trace = 6.914423410976549 (0.00212774% change) large trace change predicted (0.00433686%) linmin: converged after 3 iterations. iteration 15: trace = 6.914122172538979 (0.00435676% change) linmin: converged after 3 iterations. iteration 16: trace = 6.913960745971044 (0.00233476% change) linmin: converged after 3 iterations. iteration 17: trace = 6.913682738645422 (0.00402104% change) linmin: converged after 3 iterations. iteration 18: trace = 6.91356962437949 (0.00163611% change) linmin: converged after 3 iterations. iteration 19: trace = 6.913343496481604 (0.00327084% change) linmin: converged after 3 iterations. iteration 20: trace = 6.913262827542797 (0.00116687% change) linmin: converged after 5 iterations. iteration 21: trace = 6.913199855061523 (0.000910898% change) linmin: converged after 5 iterations. iteration 22: trace = 6.913142013102168 (0.000836692% change) linmin: converged after 5 iterations. iteration 23: trace = 6.913115926418768 (0.00037735% change) linmin: converged after 3 iterations. iteration 24: trace = 6.91309050341241 (0.000367751% change) linmin: converged after 5 iterations. iteration 25: trace = 6.913046686141634 (0.000633832% change) linmin: converged after 4 iterations. iteration 26: trace = 6.913020078791096 (0.000384887% change) linmin: converged after 4 iterations. iteration 27: trace = 6.913001671860747 (0.000266265% change) linmin: converged after 4 iterations. iteration 28: trace = 6.912976103550035 (0.000369859% change) linmin: converged after 3 iterations. iteration 29: trace = 6.912965350980596 (0.000155542% change) linmin: converged after 3 iterations. iteration 30: trace = 6.912958048248399 (0.000105638% change) linmin: converged after 3 iterations. iteration 31: trace = 6.912946398606992 (0.000168519% change) linmin: converged after 3 iterations. iteration 32: trace = 6.912938892000731 (0.000108588% change) linmin: converged after 4 iterations. iteration 33: trace = 6.912933382900912 (7.96926e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.912927765762557 (8.12555e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 6.912925419569552 (3.39392e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.912923360114467 (2.97914e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.912920250075139 (4.49888e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.912919169456714 (1.56319e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.912917519066674 (2.3874e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.912916315539269 (1.74098e-05% change) linmin: converged after 17 iterations. iteration 41: trace = 6.912915794332187 (7.53961e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 6.912915207571654 (8.48789e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 6.912914545833006 (9.5725e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 6.912914247706847 (4.3126e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912913753212571 (7.1532e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.912913163886589 (8.525e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.912912853153032 (4.49497e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.912912671740704 (2.62425e-06% change) linmin: converged after 11 iterations. iteration 49: trace = 6.912912518892522 (2.21105e-06% change) linmin: converged after 8 iterations. iteration 50: trace = 6.912912394741083 (1.79594e-06% change) linmin: converged after 3 iterations. iteration 51: trace = 6.912912299273549 (1.381e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.912912139298289 (2.31415e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.912912089732205 (7.17007e-07% change) linmin: converged after 6 iterations. iteration 54: trace = 6.912911998991057 (1.31263e-06% change) linmin: converged after 13 iterations. iteration 55: trace = 6.912911935450525 (9.19157e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 6.912911890746691 (6.46672e-07% change) linmin: converged after 7 iterations. iteration 57: trace = 6.912911840091572 (7.32761e-07% change) linmin: converged after 23 iterations. iteration 58: trace = 6.912911788980286 (7.3936e-07% change) linmin: converged after 13 iterations. iteration 59: trace = 6.912911777301217 (1.68946e-07% change) large trace change predicted (3.75959e-07%) linmin: converged after 4 iterations. iteration 60: trace = 6.912911751311498 (3.75959e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 6.912911731156905 (2.9155e-07% change) linmin: converged after 3 iterations. iteration 62: trace = 6.912911716265699 (2.15411e-07% change) large trace change predicted (4.65098e-07%) linmin: converged after 5 iterations. iteration 63: trace = 6.912911684115905 (4.65069e-07% change) linmin: converged after 25 iterations. iteration 64: trace = 6.912911662399061 (3.14149e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.912911652296632 (1.46139e-07% change) linmin: converged after 8 iterations. iteration 66: trace = 6.912911642987268 (1.34666e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 6.912911630407877 (1.8197e-07% change) linmin: converged after 4 iterations. iteration 68: trace = 6.912911622204324 (1.1867e-07% change) large trace change predicted (3.31162e-07%) linmin: converged after 6 iterations. iteration 69: trace = 6.912911599310582 (3.31174e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 6.91291158715795 (1.75796e-07% change) linmin: converged after 9 iterations. iteration 71: trace = 6.912911579317613 (1.13416e-07% change) linmin: converged after 21 iterations. iteration 72: trace = 6.912911566843272 (1.8045e-07% change) linmin: converged after 8 iterations. iteration 73: trace = 6.912911546531986 (2.93817e-07% change) linmin: converged after 4 iterations. iteration 74: trace = 6.912911524245919 (3.22383e-07% change) large trace change predicted (3.42786e-06%) linmin: converged after 4 iterations. iteration 75: trace = 6.912911287072744 (3.43087e-06% change) near maximum in trace linmin: converged after 11 iterations. iteration 76: trace = 6.909888069531068 (0.0437425% change) linmin: converged after 9 iterations. iteration 77: trace = 6.909887784314146 (4.12766e-06% change) linmin: converged after 7 iterations. iteration 78: trace = 6.909887500338854 (4.10969e-06% change) linmin: converged after 14 iterations. iteration 79: trace = 6.909887217639132 (4.09123e-06% change) linmin: converged after 7 iterations. iteration 80: trace = 6.909886936250768 (4.07226e-06% change) linmin: converged after 8 iterations. iteration 81: trace = 6.909886656139765 (4.05377e-06% change) linmin: converged after 17 iterations. iteration 82: trace = 6.909886377358567 (4.03453e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.909886099873157 (4.01577e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.909885823729661 (3.99635e-06% change) linmin: converged after 8 iterations. iteration 85: trace = 6.909885548913243 (3.97715e-06% change) linmin: converged after 7 iterations. iteration 86: trace = 6.909885275421666 (3.95798e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.909885003270273 (3.93858e-06% change) linmin: converged after 7 iterations. iteration 88: trace = 6.909884732454676 (3.91925e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.909884462957761 (3.90017e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 6.909884194815677 (3.88056e-06% change) linmin: converged after 9 iterations. iteration 91: trace = 6.909883928009607 (3.86122e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 6.909883662522455 (3.84214e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 6.909883398382966 (3.82263e-06% change) linmin: converged after 5 iterations. iteration 94: trace = 6.909883135572693 (3.8034e-06% change) linmin: converged after 11 iterations. iteration 95: trace = 6.909882874088034 (3.78421e-06% change) linmin: converged after 9 iterations. iteration 96: trace = 6.909882613924315 (3.7651e-06% change) linmin: converged after 14 iterations. iteration 97: trace = 6.909882355073152 (3.7461e-06% change) linmin: converged after 12 iterations. iteration 98: trace = 6.909882097524109 (3.72726e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 6.909881841295443 (3.70815e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 6.909881586353091 (3.68953e-06% change) linmin: converged after 6 iterations. iteration 101: trace = 6.909881332717889 (3.67062e-06% change) linmin: converged after 14 iterations. iteration 102: trace = 6.9098810803694 (3.65199e-06% change) linmin: converged after 6 iterations. iteration 103: trace = 6.909880829294897 (3.63356e-06% change) linmin: converged after 4 iterations. iteration 104: trace = 6.909880579485906 (3.61524e-06% change) linmin: converged after 6 iterations. iteration 105: trace = 6.909880330953644 (3.59677e-06% change) linmin: converged after 5 iterations. iteration 106: trace = 6.909880083666328 (3.57875e-06% change) linmin: converged after 5 iterations. iteration 107: trace = 6.909879837638996 (3.56052e-06% change) linmin: converged after 5 iterations. iteration 108: trace = 6.909879592851689 (3.54257e-06% change) linmin: converged after 9 iterations. iteration 109: trace = 6.909879349295867 (3.52475e-06% change) linmin: converged after 7 iterations. iteration 110: trace = 6.909879106952831 (3.5072e-06% change) linmin: converged after 5 iterations. iteration 111: trace = 6.909878865833756 (3.48948e-06% change) linmin: converged after 12 iterations. iteration 112: trace = 6.909878625919669 (3.47204e-06% change) linmin: converged after 6 iterations. iteration 113: trace = 6.909878387191959 (3.45488e-06% change) linmin: converged after 4 iterations. iteration 114: trace = 6.909878149651229 (3.4377e-06% change) linmin: converged after 8 iterations. iteration 115: trace = 6.909877913297339 (3.42052e-06% change) linmin: converged after 6 iterations. iteration 116: trace = 6.90987767810282 (3.40374e-06% change) linmin: converged after 5 iterations. iteration 117: trace = 6.909877444075966 (3.38685e-06% change) linmin: converged after 8 iterations. iteration 118: trace = 6.909877211198532 (3.37021e-06% change) linmin: converged after 6 iterations. iteration 119: trace = 6.909876979452967 (3.35383e-06% change) linmin: converged after 5 iterations. iteration 120: trace = 6.909876748846052 (3.33735e-06% change) linmin: converged after 6 iterations. iteration 121: trace = 6.90987651936019 (3.32113e-06% change) linmin: converged after 5 iterations. iteration 122: trace = 6.909876290978394 (3.30515e-06% change) linmin: converged after 14 iterations. iteration 123: trace = 6.909876063706172 (3.28909e-06% change) linmin: converged after 6 iterations. iteration 124: trace = 6.909875837526572 (3.27328e-06% change) linmin: converged after 4 iterations. iteration 125: trace = 6.909875612423232 (3.2577e-06% change) linmin: converged after 14 iterations. iteration 126: trace = 6.909875388400514 (3.24207e-06% change) linmin: converged after 14 iterations. iteration 127: trace = 6.909875165442156 (3.22666e-06% change) linmin: converged after 7 iterations. iteration 128: trace = 6.909874943538734 (3.2114e-06% change) linmin: converged after 5 iterations. iteration 129: trace = 6.90987472268094 (3.19626e-06% change) linmin: converged after 6 iterations. iteration 130: trace = 6.909874502859484 (3.18127e-06% change) linmin: converged after 6 iterations. iteration 131: trace = 6.909874284059315 (3.16649e-06% change) linmin: converged after 8 iterations. iteration 132: trace = 6.90987406627721 (3.15175e-06% change) linmin: converged after 7 iterations. iteration 133: trace = 6.909873849504065 (3.13715e-06% change) linmin: converged after 7 iterations. iteration 134: trace = 6.909873633736144 (3.1226e-06% change) linmin: converged after 6 iterations. iteration 135: trace = 6.909873418958933 (3.10827e-06% change) linmin: converged after 6 iterations. iteration 136: trace = 6.909873205158356 (3.09413e-06% change) linmin: converged after 6 iterations. iteration 137: trace = 6.909872992335758 (3.07998e-06% change) linmin: converged after 6 iterations. iteration 138: trace = 6.909872780477195 (3.06603e-06% change) linmin: converged after 8 iterations. iteration 139: trace = 6.909872569573944 (3.0522e-06% change) resetting CG direction... large trace change predicted (0.146065%) linmin: converged after 6 iterations. iteration 140: trace = 6.900112807874646 (0.141344% change) linmin: converged after 4 iterations. iteration 141: trace = 6.886754650031223 (0.193781% change) linmin: converged after 4 iterations. iteration 142: trace = 6.877135062572776 (0.13978% change) linmin: converged after 3 iterations. iteration 143: trace = 6.870506267082638 (0.0964354% change) linmin: converged after 4 iterations. iteration 144: trace = 6.860551169816624 (0.145001% change) linmin: converged after 4 iterations. iteration 145: trace = 6.850685274511307 (0.14391% change) linmin: converged after 4 iterations. iteration 146: trace = 6.843740497784712 (0.101425% change) large trace change predicted (0.309023%) linmin: converged after 5 iterations. iteration 147: trace = 6.823623760537448 (0.294376% change) linmin: converged after 4 iterations. iteration 148: trace = 6.812400398950951 (0.164613% change) linmin: converged after 4 iterations. iteration 149: trace = 6.804952571758172 (0.109387% change) linmin: converged after 4 iterations. iteration 150: trace = 6.792622572528646 (0.181356% change) linmin: converged after 3 iterations. iteration 151: trace = 6.786226468461249 (0.0942069% change) linmin: converged after 4 iterations. iteration 152: trace = 6.774034327979193 (0.179822% change) linmin: converged after 4 iterations. iteration 153: trace = 6.763597790162811 (0.154186% change) linmin: converged after 4 iterations. iteration 154: trace = 6.751468321352629 (0.179496% change) linmin: converged after 4 iterations. iteration 155: trace = 6.744733604502644 (0.0998017% change) linmin: converged after 4 iterations. iteration 156: trace = 6.736517955733518 (0.121883% change) linmin: converged after 4 iterations. iteration 157: trace = 6.730507893032328 (0.089256% change) linmin: converged after 4 iterations. iteration 158: trace = 6.725610070146183 (0.072797% change) linmin: converged after 3 iterations. iteration 159: trace = 6.720070429549343 (0.0824003% change) linmin: converged after 4 iterations. iteration 160: trace = 6.716398936957599 (0.0546497% change) linmin: converged after 4 iterations. iteration 161: trace = 6.711723245098755 (0.0696403% change) linmin: converged after 3 iterations. iteration 162: trace = 6.708465862307571 (0.0485445% change) linmin: converged after 3 iterations. iteration 163: trace = 6.705377631218511 (0.0460454% change) linmin: converged after 3 iterations. iteration 164: trace = 6.7019681115547 (0.0508605% change) linmin: converged after 14 iterations. iteration 165: trace = 6.699720408550249 (0.0335436% change) linmin: converged after 3 iterations. iteration 166: trace = 6.697586295582607 (0.0318588% change) linmin: converged after 3 iterations. iteration 167: trace = 6.695563917062481 (0.0302002% change) linmin: converged after 3 iterations. iteration 168: trace = 6.69318995521045 (0.035462% change) linmin: converged after 4 iterations. iteration 169: trace = 6.691847708888887 (0.0200559% change) linmin: converged after 3 iterations. iteration 170: trace = 6.689836878793695 (0.0300535% change) linmin: converged after 3 iterations. iteration 171: trace = 6.68897407054505 (0.0128981% change) linmin: converged after 3 iterations. iteration 172: trace = 6.687710436118384 (0.0188931% change) linmin: converged after 3 iterations. iteration 173: trace = 6.687077366461639 (0.00946661% change) linmin: converged after 3 iterations. iteration 174: trace = 6.686055406055767 (0.0152838% change) linmin: converged after 3 iterations. iteration 175: trace = 6.685450523046256 (0.00904734% change) linmin: converged after 3 iterations. iteration 176: trace = 6.684549996350713 (0.0134709% change) linmin: converged after 3 iterations. iteration 177: trace = 6.684090730238815 (0.0068708% change) linmin: converged after 3 iterations. iteration 178: trace = 6.683536768548096 (0.00828811% change) linmin: converged after 3 iterations. iteration 179: trace = 6.683209332057007 (0.00489927% change) linmin: converged after 3 iterations. iteration 180: trace = 6.682804628345735 (0.00605571% change) linmin: converged after 3 iterations. iteration 181: trace = 6.682500737701841 (0.00454746% change) linmin: converged after 6 iterations. iteration 182: trace = 6.682187984963646 (0.00468028% change) linmin: converged after 3 iterations. iteration 183: trace = 6.681941626589951 (0.00368686% change) linmin: converged after 3 iterations. iteration 184: trace = 6.681749517040164 (0.0028751% change) linmin: converged after 3 iterations. iteration 185: trace = 6.681583318928936 (0.00248738% change) linmin: converged after 5 iterations. iteration 186: trace = 6.681435949572898 (0.00220563% change) linmin: converged after 3 iterations. iteration 187: trace = 6.681306362279191 (0.00193953% change) linmin: converged after 5 iterations. iteration 188: trace = 6.68118616255739 (0.00179906% change) linmin: converged after 3 iterations. iteration 189: trace = 6.681029168186527 (0.00234983% change) linmin: converged after 4 iterations. iteration 190: trace = 6.68091788698604 (0.00166564% change) linmin: converged after 4 iterations. iteration 191: trace = 6.680793007016501 (0.00186922% change) linmin: converged after 3 iterations. iteration 192: trace = 6.680698925300111 (0.00140825% change) linmin: converged after 3 iterations. iteration 193: trace = 6.680603490590562 (0.00142852% change) linmin: converged after 3 iterations. iteration 194: trace = 6.680555992876951 (0.000710982% change) linmin: converged after 3 iterations. iteration 195: trace = 6.680497530806602 (0.000875112% change) linmin: converged after 4 iterations. iteration 196: trace = 6.680465917269473 (0.000473222% change) linmin: converged after 5 iterations. iteration 197: trace = 6.680419024356515 (0.000701943% change) linmin: converged after 3 iterations. iteration 198: trace = 6.680388053627762 (0.000463606% change) linmin: converged after 3 iterations. iteration 199: trace = 6.680345252324641 (0.000640703% change) linmin: converged after 4 iterations. iteration 200: trace = 6.680315656044407 (0.000443036% change) linmin: converged after 13 iterations. iteration 201: trace = 6.680273977133462 (0.000623908% change) linmin: converged after 3 iterations. iteration 202: trace = 6.680252940741233 (0.000314904% change) linmin: converged after 4 iterations. iteration 203: trace = 6.680221024379043 (0.000477773% change) linmin: converged after 3 iterations. iteration 204: trace = 6.680206060237897 (0.000224007% change) linmin: converged after 3 iterations. iteration 205: trace = 6.680188908244978 (0.000256759% change) linmin: converged after 3 iterations. iteration 206: trace = 6.680180723571723 (0.000122522% change) linmin: converged after 3 iterations. iteration 207: trace = 6.680167171789034 (0.000202866% change) linmin: converged after 3 iterations. iteration 208: trace = 6.680160724540633 (9.65133e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 6.680149211613839 (0.000172345% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 6.680141306405188 (0.000118339% change) linmin: converged after 4 iterations. iteration 211: trace = 6.680129707104666 (0.000173639% change) linmin: converged after 4 iterations. iteration 212: trace = 6.680117724787703 (0.000179373% change) linmin: converged after 3 iterations. iteration 213: trace = 6.680112548768048 (7.7484e-05% change) linmin: converged after 4 iterations. iteration 214: trace = 6.680102826504739 (0.000145541% change) linmin: converged after 10 iterations. iteration 215: trace = 6.680094664191323 (0.000122189% change) linmin: converged after 3 iterations. iteration 216: trace = 6.680091552906312 (4.65755e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 6.680087526994608 (6.02673e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 6.680084055736089 (5.19643e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 6.680083094998932 (1.43821e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 6.680081318393286 (2.65956e-05% change) linmin: converged after 2 iterations. iteration 221: trace = 6.680079323617409 (2.98616e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 6.680077671618371 (2.47302e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 6.680075761057959 (2.86009e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 6.680073835787651 (2.88211e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 6.680073222712853 (9.17767e-06% change) linmin: converged after 3 iterations. iteration 226: trace = 6.680072529492016 (1.03774e-05% change) linmin: converged after 4 iterations. iteration 227: trace = 6.680071660450433 (1.30095e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 6.680071348592291 (4.66849e-06% change) linmin: converged after 3 iterations. iteration 229: trace = 6.680070763749358 (8.75504e-06% change) linmin: converged after 2 iterations. iteration 230: trace = 6.680070265447124 (7.45954e-06% change) linmin: converged after 4 iterations. iteration 231: trace = 6.680069810866106 (6.80503e-06% change) linmin: converged after 3 iterations. iteration 232: trace = 6.680069647127132 (2.45116e-06% change) large trace change predicted (5.89221e-06%) linmin: converged after 2 iterations. iteration 233: trace = 6.680069253517108 (5.8923e-06% change) linmin: converged after 4 iterations. iteration 234: trace = 6.680068947926481 (4.57466e-06% change) linmin: converged after 2 iterations. iteration 235: trace = 6.680068802272046 (2.18043e-06% change) linmin: converged after 13 iterations. iteration 236: trace = 6.680068641203307 (2.41118e-06% change) linmin: converged after 5 iterations. iteration 237: trace = 6.680068538496874 (1.53751e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 6.680068501532514 (5.53353e-07% change) linmin: converged after 3 iterations. iteration 239: trace = 6.680068438512994 (9.43396e-07% change) linmin: converged after 5 iterations. iteration 240: trace = 6.680068379295211 (8.86485e-07% change) linmin: converged after 11 iterations. iteration 241: trace = 6.680068348463998 (4.6154e-07% change) linmin: converged after 4 iterations. iteration 242: trace = 6.68006830935616 (5.85441e-07% change) linmin: converged after 4 iterations. iteration 243: trace = 6.680068281396476 (4.18554e-07% change) linmin: converged after 5 iterations. iteration 244: trace = 6.680068269147787 (1.83362e-07% change) linmin: converged after 5 iterations. iteration 245: trace = 6.6800682516701 (2.61639e-07% change) linmin: converged after 6 iterations. iteration 246: trace = 6.680068231541936 (3.01317e-07% change) linmin: converged after 4 iterations. iteration 247: trace = 6.68006822014569 (1.70601e-07% change) linmin: converged after 4 iterations. iteration 248: trace = 6.680068214812728 (7.9834e-08% change) linmin: converged after 4 iterations. iteration 249: trace = 6.680068207046533 (1.16259e-07% change) linmin: converged after 7 iterations. iteration 250: trace = 6.68006819870077 (1.24935e-07% change) linmin: converged after 4 iterations. iteration 251: trace = 6.680068195620726 (4.6108e-08% change) linmin: converged after 4 iterations. iteration 252: trace = 6.680068190690411 (7.38064e-08% change) linmin: converged after 6 iterations. iteration 253: trace = 6.680068188124061 (3.8418e-08% change) linmin: converged after 31 iterations. iteration 254: trace = 6.680068186230165 (2.83514e-08% change) linmin: converged after 4 iterations. iteration 255: trace = 6.680068183548971 (4.01372e-08% change) linmin: converged after 6 iterations. iteration 256: trace = 6.680068181084417 (3.68941e-08% change) linmin: converged after 9 iterations. iteration 257: trace = 6.680068180529753 (8.30327e-09% change) linmin: converged after 4 iterations. iteration 258: trace = 6.680068179648179 (1.31971e-08% change) linmin: converged after 10 iterations. iteration 259: trace = 6.680068178936502 (1.06538e-08% change) linmin: converged after 7 iterations. iteration 260: trace = 6.680068178568506 (5.50886e-09% change) linmin: converged after 7 iterations. iteration 261: trace = 6.680068178358582 (3.14255e-09% change) linmin: converged after 5 iterations. iteration 262: trace = 6.680068178086279 (4.07635e-09% change) linmin: converged after 4 iterations. iteration 263: trace = 6.680068177950682 (2.02987e-09% change) linmin: converged after 4 iterations. iteration 264: trace = 6.680068177805048 (2.18012e-09% change) linmin: converged after 4 iterations. iteration 265: trace = 6.680068177579251 (3.38016e-09% change) linmin: converged after 21 iterations. iteration 266: trace = 6.680068177456648 (1.83536e-09% change) linmin: converged after 22 iterations. iteration 267: trace = 6.680068177411629 (6.73932e-10% change) large trace change predicted (1.36988e-09%) linmin: converged after 4 iterations. iteration 268: trace = 6.680068177320161 (1.36927e-09% change) linmin: converged after 3 iterations. iteration 269: trace = 6.680068177254681 (9.80231e-10% change) linmin: converged after 11 iterations. iteration 270: trace = 6.680068177226591 (4.20498e-10% change) linmin: converged after 13 iterations. iteration 271: trace = 6.68006817717807 (7.26358e-10% change) linmin: converged after 4 iterations. iteration 272: trace = 6.680068177149542 (4.27053e-10% change) linmin: converged after 15 iterations. iteration 273: trace = 6.680068177134154 (2.30366e-10% change) linmin: converged after 7 iterations. iteration 274: trace = 6.680068177119505 (2.1929e-10% change) linmin: converged after 16 iterations. iteration 275: trace = 6.68006817709515 (3.64588e-10% change) linmin: converged after 4 iterations. iteration 276: trace = 6.680068177089201 (8.90696e-11% change) Finished solving for bands 1 to 8 after 276 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 elapsed time for k point: 1.6642169952392578 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.654587647107056 (0.0686622% change) linmin: converged after 4 iterations. iteration 2: trace = 6.650159867781105 (0.0665594% change) linmin: converged after 4 iterations. iteration 3: trace = 6.648179278398916 (0.029787% change) linmin: converged after 11 iterations. iteration 4: trace = 6.64753428827374 (0.00970223% change) linmin: converged after 4 iterations. iteration 5: trace = 6.646966711507838 (0.00853852% change) linmin: converged after 3 iterations. iteration 6: trace = 6.645994103904903 (0.0146334% change) linmin: converged after 7 iterations. iteration 7: trace = 6.645304795434273 (0.0103723% change) linmin: converged after 5 iterations. iteration 8: trace = 6.644933112305865 (0.00559333% change) linmin: converged after 4 iterations. iteration 9: trace = 6.644423384405195 (0.00767122% change) linmin: converged after 3 iterations. iteration 10: trace = 6.644201201600824 (0.00334395% change) linmin: converged after 3 iterations. iteration 11: trace = 6.643990357561754 (0.0031734% change) linmin: converged after 4 iterations. iteration 12: trace = 6.643843598182427 (0.00220893% change) linmin: converged after 3 iterations. iteration 13: trace = 6.643564792914024 (0.00419653% change) linmin: converged after 4 iterations. iteration 14: trace = 6.643279683137933 (0.00429161% change) linmin: converged after 3 iterations. iteration 15: trace = 6.643071635833856 (0.00313174% change) linmin: converged after 13 iterations. iteration 16: trace = 6.642974802986185 (0.00145766% change) linmin: converged after 4 iterations. iteration 17: trace = 6.642909152389527 (0.000988276% change) linmin: converged after 3 iterations. iteration 18: trace = 6.642890198485007 (0.000285326% change) linmin: converged after 5 iterations. iteration 19: trace = 6.642868869752618 (0.000321077% change) linmin: converged after 3 iterations. iteration 20: trace = 6.642841265095529 (0.000415554% change) linmin: converged after 7 iterations. iteration 21: trace = 6.642822909072448 (0.000276328% change) linmin: converged after 3 iterations. iteration 22: trace = 6.642805067487298 (0.000268585% change) linmin: converged after 3 iterations. iteration 23: trace = 6.642791440630938 (0.000205137% change) linmin: converged after 4 iterations. iteration 24: trace = 6.642785629385782 (8.7482e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 6.642782972183236 (4.00013e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.642780011656292 (4.45676e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.642778218592625 (2.69927e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 6.642777034519781 (1.7825e-05% change) large trace change predicted (3.72542e-05%) linmin: converged after 5 iterations. iteration 29: trace = 6.642774560797502 (3.72393e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.642773636337617 (1.39168e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.642772723116847 (1.37476e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.642771828275745 (1.34709e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.6427708758641 (1.43376e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.642770554213544 (4.84211e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 6.642770128476467 (6.40903e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 6.642769885792485 (3.65336e-06% change) linmin: converged after 14 iterations. iteration 37: trace = 6.64276977675445 (1.64145e-06% change) linmin: converged after 4 iterations. iteration 38: trace = 6.642769636190063 (2.11605e-06% change) linmin: converged after 2 iterations. iteration 39: trace = 6.64276952993943 (1.59949e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 6.642769482550485 (7.13391e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 6.642769417347201 (9.81568e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 6.642769380718978 (5.514e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 6.642769352341737 (4.2719e-07% change) linmin: converged after 15 iterations. iteration 44: trace = 6.642769335010302 (2.60907e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 6.642769308420513 (4.00282e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.642769295753125 (1.90694e-07% change) linmin: converged after 7 iterations. iteration 47: trace = 6.642769286124278 (1.44952e-07% change) linmin: converged after 2 iterations. iteration 48: trace = 6.642769278116051 (1.20556e-07% change) linmin: converged after 15 iterations. iteration 49: trace = 6.642769268635163 (1.42725e-07% change) linmin: converged after 3 iterations. iteration 50: trace = 6.642769264679356 (5.95506e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 6.642769258364048 (9.50704e-08% change) linmin: converged after 2 iterations. iteration 52: trace = 6.642769255028356 (5.02154e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 6.642769253596793 (2.15507e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 6.642769251332918 (3.40803e-08% change) linmin: converged after 3 iterations. iteration 55: trace = 6.64276925007824 (1.88879e-08% change) linmin: converged after 3 iterations. iteration 56: trace = 6.642769249336583 (1.11649e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.642769248110906 (1.84513e-08% change) linmin: converged after 10 iterations. iteration 58: trace = 6.642769246939288 (1.76375e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.642769246530508 (6.15375e-09% change) linmin: converged after 3 iterations. iteration 60: trace = 6.642769246056794 (7.13128e-09% change) linmin: converged after 4 iterations. iteration 61: trace = 6.642769245799189 (3.87797e-09% change) linmin: converged after 12 iterations. iteration 62: trace = 6.642769245597216 (3.0405e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.64276924536166 (3.54604e-09% change) linmin: converged after 4 iterations. iteration 64: trace = 6.642769245063349 (4.49077e-09% change) linmin: converged after 21 iterations. iteration 65: trace = 6.642769244986269 (1.16035e-09% change) linmin: converged after 4 iterations. iteration 66: trace = 6.642769244866158 (1.80815e-09% change) linmin: converged after 12 iterations. iteration 67: trace = 6.642769244789783 (1.14974e-09% change) linmin: converged after 5 iterations. iteration 68: trace = 6.64276924474427 (6.85163e-10% change) linmin: converged after 5 iterations. iteration 69: trace = 6.642769244696984 (7.11838e-10% change) resetting CG direction... linmin: converged after 11 iterations. iteration 70: trace = 6.642769244672526 (3.68186e-10% change) linmin: converged after 17 iterations. iteration 71: trace = 6.642769244656923 (2.34895e-10% change) linmin: converged after 12 iterations. iteration 72: trace = 6.642769244637179 (2.97215e-10% change) linmin: converged after 7 iterations. iteration 73: trace = 6.642769244619195 (2.70741e-10% change) linmin: converged after 6 iterations. iteration 74: trace = 6.642769244609402 (1.47411e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.642769244598618 (1.62346e-10% change) linmin: converged after 4 iterations. iteration 76: trace = 6.642769244581568 (2.56675e-10% change) linmin: converged after 6 iterations. iteration 77: trace = 6.642769244576151 (8.15473e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 elapsed time for k point: 0.46819305419921875 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.68742931650452 (0.117811% change) linmin: converged after 3 iterations. iteration 2: trace = 6.68264724993627 (0.0715339% change) linmin: converged after 4 iterations. iteration 3: trace = 6.679627785477054 (0.0451939% change) linmin: converged after 4 iterations. iteration 4: trace = 6.674424620075824 (0.0779264% change) linmin: converged after 4 iterations. iteration 5: trace = 6.670593745708849 (0.0574128% change) linmin: converged after 3 iterations. iteration 6: trace = 6.669532231866325 (0.0159146% change) linmin: converged after 4 iterations. iteration 7: trace = 6.668698851707744 (0.0124961% change) linmin: converged after 4 iterations. iteration 8: trace = 6.667450144262116 (0.0187267% change) linmin: converged after 4 iterations. iteration 9: trace = 6.666854082081396 (0.00894028% change) linmin: converged after 3 iterations. iteration 10: trace = 6.666560972014663 (0.00439662% change) large trace change predicted (0.0103219%) linmin: converged after 4 iterations. iteration 11: trace = 6.665873835374994 (0.0103077% change) linmin: converged after 3 iterations. iteration 12: trace = 6.665343845652399 (0.00795111% change) linmin: converged after 4 iterations. iteration 13: trace = 6.6649606862781 (0.0057487% change) linmin: converged after 4 iterations. iteration 14: trace = 6.664471825373208 (0.00733506% change) linmin: converged after 3 iterations. iteration 15: trace = 6.664343389402832 (0.00192719% change) linmin: converged after 3 iterations. iteration 16: trace = 6.664235362018363 (0.00162099% change) linmin: converged after 3 iterations. iteration 17: trace = 6.664099940391363 (0.00203209% change) linmin: converged after 3 iterations. iteration 18: trace = 6.663928196790676 (0.00257718% change) linmin: converged after 3 iterations. iteration 19: trace = 6.663861617064658 (0.000999111% change) linmin: converged after 4 iterations. iteration 20: trace = 6.663812745431779 (0.000733386% change) linmin: converged after 3 iterations. iteration 21: trace = 6.663735496481276 (0.00115924% change) linmin: converged after 3 iterations. iteration 22: trace = 6.663674584800469 (0.000914081% change) linmin: converged after 3 iterations. iteration 23: trace = 6.663634505870812 (0.000601456% change) linmin: converged after 9 iterations. iteration 24: trace = 6.663593036444581 (0.000622326% change) linmin: converged after 3 iterations. iteration 25: trace = 6.663573590797871 (0.00029182% change) linmin: converged after 3 iterations. iteration 26: trace = 6.663564019963311 (0.000143629% change) linmin: converged after 5 iterations. iteration 27: trace = 6.663549047822354 (0.000224687% change) linmin: converged after 3 iterations. iteration 28: trace = 6.663543235432437 (8.72267e-05% change) linmin: converged after 3 iterations. iteration 29: trace = 6.663539630863594 (5.40939e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.663536020892542 (5.4175e-05% change) large trace change predicted (0.000126921%) linmin: converged after 3 iterations. iteration 31: trace = 6.663527561138237 (0.000126956% change) linmin: converged after 3 iterations. iteration 32: trace = 6.663522804103543 (7.13892e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.663519840010221 (4.44824e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.663516773109635 (4.60252e-05% change) linmin: converged after 10 iterations. iteration 35: trace = 6.663513854797477 (4.37954e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.66351282127115 (1.55102e-05% change) large trace change predicted (3.45247e-05%) linmin: converged after 4 iterations. iteration 37: trace = 6.663510520492019 (3.4528e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.663509473855813 (1.5707e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 6.66350905948412 (6.21852e-06% change) large trace change predicted (1.52973e-05%) linmin: converged after 4 iterations. iteration 40: trace = 6.663508040074779 (1.52984e-05% change) linmin: converged after 13 iterations. iteration 41: trace = 6.66350736878073 (1.00742e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.663506898774938 (7.05343e-06% change) linmin: converged after 3 iterations. iteration 43: trace = 6.663506558850175 (5.10129e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 6.663506414509431 (2.16614e-06% change) linmin: converged after 28 iterations. iteration 45: trace = 6.663506331481697 (1.24601e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.663506215056473 (1.74721e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.663506039962352 (2.62766e-06% change) linmin: converged after 18 iterations. iteration 48: trace = 6.663505983919635 (8.41039e-07% change) linmin: converged after 11 iterations. iteration 49: trace = 6.663505907580257 (1.14563e-06% change) linmin: converged after 13 iterations. iteration 50: trace = 6.663505851053846 (8.48298e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 6.663505805273885 (6.87025e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 6.663505790517945 (2.21444e-07% change) linmin: converged after 3 iterations. iteration 53: trace = 6.663505766537905 (3.59871e-07% change) linmin: converged after 5 iterations. iteration 54: trace = 6.663505741527417 (3.75335e-07% change) linmin: converged after 23 iterations. iteration 55: trace = 6.663505723766454 (2.66541e-07% change) linmin: converged after 30 iterations. iteration 56: trace = 6.663505707395612 (2.45679e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.663505697307992 (1.51386e-07% change) linmin: converged after 9 iterations. iteration 58: trace = 6.663505694719878 (3.88401e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.663505691931844 (4.18403e-08% change) linmin: converged after 5 iterations. iteration 60: trace = 6.663505688935059 (4.49731e-08% change) linmin: converged after 6 iterations. iteration 61: trace = 6.663505686196303 (4.11008e-08% change) linmin: converged after 4 iterations. iteration 62: trace = 6.663505684949426 (1.8712e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 6.663505683329686 (2.43076e-08% change) linmin: converged after 12 iterations. iteration 64: trace = 6.663505682013065 (1.97587e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 6.663505681318125 (1.0429e-08% change) linmin: converged after 4 iterations. iteration 66: trace = 6.66350568000373 (1.97253e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.66350567919139 (1.21909e-08% change) linmin: converged after 6 iterations. iteration 68: trace = 6.663505678759838 (6.47635e-09% change) linmin: converged after 4 iterations. iteration 69: trace = 6.663505678470865 (4.33666e-09% change) resetting CG direction... linmin: converged after 8 iterations. iteration 70: trace = 6.663505678324041 (2.2034e-09% change) linmin: converged after 4 iterations. iteration 71: trace = 6.663505678226369 (1.46578e-09% change) linmin: converged after 6 iterations. iteration 72: trace = 6.663505678094277 (1.98233e-09% change) linmin: converged after 10 iterations. iteration 73: trace = 6.663505677965077 (1.93892e-09% change) linmin: converged after 18 iterations. iteration 74: trace = 6.66350567790878 (8.44845e-10% change) linmin: converged after 5 iterations. iteration 75: trace = 6.663505677805992 (1.54256e-09% change) linmin: converged after 17 iterations. iteration 76: trace = 6.663505677741501 (9.67818e-10% change) linmin: converged after 4 iterations. iteration 77: trace = 6.663505677712489 (4.35392e-10% change) linmin: converged after 6 iterations. iteration 78: trace = 6.663505677678069 (5.16539e-10% change) linmin: converged after 4 iterations. iteration 79: trace = 6.663505677642904 (5.27722e-10% change) linmin: converged after 3 iterations. iteration 80: trace = 6.663505677622344 (3.08553e-10% change) linmin: converged after 4 iterations. iteration 81: trace = 6.66350567759534 (4.05255e-10% change) linmin: converged after 7 iterations. iteration 82: trace = 6.663505677568731 (3.99323e-10% change) linmin: converged after 8 iterations. iteration 83: trace = 6.663505677547433 (3.19616e-10% change) linmin: converged after 6 iterations. iteration 84: trace = 6.66350567753745 (1.49818e-10% change) linmin: converged after 17 iterations. iteration 85: trace = 6.663505677527924 (1.42953e-10% change) linmin: converged after 3 iterations. iteration 86: trace = 6.663505677520225 (1.15549e-10% change) linmin: converged after 4 iterations. iteration 87: trace = 6.663505677515312 (7.37227e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 elapsed time for k point: 0.528815746307373 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.744447576192536 (0.144039% change) linmin: converged after 4 iterations. iteration 2: trace = 6.737974342923063 (0.0960248% change) linmin: converged after 4 iterations. iteration 3: trace = 6.732141779138002 (0.0866001% change) linmin: converged after 10 iterations. iteration 4: trace = 6.724828824799297 (0.108686% change) linmin: converged after 4 iterations. iteration 5: trace = 6.721434301434448 (0.0504902% change) linmin: converged after 3 iterations. iteration 6: trace = 6.718962207953828 (0.036786% change) linmin: converged after 4 iterations. iteration 7: trace = 6.717543137081957 (0.0211226% change) linmin: converged after 4 iterations. iteration 8: trace = 6.716463667344186 (0.0160707% change) linmin: converged after 3 iterations. iteration 9: trace = 6.715767538644822 (0.010365% change) linmin: converged after 4 iterations. iteration 10: trace = 6.714605745657165 (0.017301% change) linmin: converged after 4 iterations. iteration 11: trace = 6.713521880138656 (0.0161432% change) linmin: converged after 3 iterations. iteration 12: trace = 6.712581824447608 (0.0140034% change) linmin: converged after 3 iterations. iteration 13: trace = 6.711589810654388 (0.0147795% change) linmin: converged after 3 iterations. iteration 14: trace = 6.710907667568817 (0.0101642% change) linmin: converged after 10 iterations. iteration 15: trace = 6.710743951444661 (0.00243958% change) linmin: converged after 3 iterations. iteration 16: trace = 6.710422647844937 (0.00478801% change) linmin: converged after 3 iterations. iteration 17: trace = 6.710149737642435 (0.00406704% change) linmin: converged after 3 iterations. iteration 18: trace = 6.709926502205309 (0.00332689% change) linmin: converged after 3 iterations. iteration 19: trace = 6.709615223170183 (0.00463919% change) linmin: converged after 3 iterations. iteration 20: trace = 6.709383091625185 (0.00345974% change) linmin: converged after 5 iterations. iteration 21: trace = 6.709272391414308 (0.00164994% change) linmin: converged after 3 iterations. iteration 22: trace = 6.709164433466661 (0.0016091% change) linmin: converged after 5 iterations. iteration 23: trace = 6.70908228328382 (0.00122445% change) linmin: converged after 3 iterations. iteration 24: trace = 6.709040655657285 (0.000620469% change) linmin: converged after 5 iterations. iteration 25: trace = 6.709012986378738 (0.000412419% change) linmin: converged after 5 iterations. iteration 26: trace = 6.708973601698106 (0.000587043% change) linmin: converged after 4 iterations. iteration 27: trace = 6.708949152657861 (0.000364424% change) linmin: converged after 3 iterations. iteration 28: trace = 6.70893965639722 (0.000141546% change) linmin: converged after 3 iterations. iteration 29: trace = 6.708921851719259 (0.000265388% change) linmin: converged after 3 iterations. iteration 30: trace = 6.708911469458197 (0.000154753% change) linmin: converged after 4 iterations. iteration 31: trace = 6.70890382172838 (0.000113994% change) linmin: converged after 3 iterations. iteration 32: trace = 6.708893718526304 (0.000150594% change) linmin: converged after 3 iterations. iteration 33: trace = 6.708883945393598 (0.000145674% change) linmin: converged after 3 iterations. iteration 34: trace = 6.708879440618364 (6.71464e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.70887148922375 (0.000118521% change) linmin: converged after 4 iterations. iteration 36: trace = 6.708866031276438 (8.13542e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.708863197039666 (4.22461e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.708860829014249 (3.5297e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 6.708858447965409 (3.54911e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.70885699851949 (2.1605e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.708854902078135 (3.12489e-05% change) linmin: converged after 5 iterations. iteration 42: trace = 6.708852610157979 (3.41626e-05% change) linmin: converged after 7 iterations. iteration 43: trace = 6.708851929415184 (1.01469e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.708851237626785 (1.03116e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.70885027561984 (1.43394e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.708849646388729 (9.37912e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.708848882347832 (1.13886e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.708848312891008 (8.48815e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.708847879057657 (6.46658e-06% change) linmin: converged after 4 iterations. iteration 50: trace = 6.708847658500213 (3.28756e-06% change) large trace change predicted (7.00998e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.708847188193878 (7.01024e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.708846832260756 (5.30543e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.708846619290997 (3.17446e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.708846387823803 (3.45018e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 6.708846177703117 (3.13199e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 6.708846099890919 (1.15984e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.708845988799521 (1.65589e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 6.708845926155869 (9.33747e-07% change) linmin: converged after 4 iterations. iteration 59: trace = 6.708845871850761 (8.09455e-07% change) linmin: converged after 3 iterations. iteration 60: trace = 6.708845822809999 (7.30987e-07% change) linmin: converged after 13 iterations. iteration 61: trace = 6.708845760356785 (9.30908e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 6.708845743003738 (2.58659e-07% change) linmin: converged after 6 iterations. iteration 63: trace = 6.708845724909576 (2.69706e-07% change) linmin: converged after 7 iterations. iteration 64: trace = 6.708845702105168 (3.39916e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 6.708845680327379 (3.24613e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 6.708845664241937 (2.39765e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.708845650777155 (2.00702e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.70884564540356 (8.00972e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 6.708845642040083 (5.0135e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.708845640023133 (3.0064e-08% change) linmin: converged after 6 iterations. iteration 71: trace = 6.708845637674435 (3.5009e-08% change) linmin: converged after 7 iterations. iteration 72: trace = 6.708845634535178 (4.67928e-08% change) linmin: converged after 4 iterations. iteration 73: trace = 6.708845632986879 (2.30785e-08% change) linmin: converged after 5 iterations. iteration 74: trace = 6.708845630875833 (3.14666e-08% change) linmin: converged after 5 iterations. iteration 75: trace = 6.708845629670519 (1.7966e-08% change) linmin: converged after 6 iterations. iteration 76: trace = 6.708845628753616 (1.36671e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.70884562822794 (7.83556e-09% change) large trace change predicted (2.48466e-08%) linmin: converged after 23 iterations. iteration 78: trace = 6.708845626561008 (2.48468e-08% change) linmin: converged after 9 iterations. iteration 79: trace = 6.708845625403148 (1.72587e-08% change) linmin: converged after 4 iterations. iteration 80: trace = 6.70884562479595 (9.05071e-09% change) linmin: converged after 3 iterations. iteration 81: trace = 6.708845624335575 (6.86222e-09% change) linmin: converged after 5 iterations. iteration 82: trace = 6.708845623794146 (8.07036e-09% change) linmin: converged after 6 iterations. iteration 83: trace = 6.708845623391334 (6.00419e-09% change) linmin: converged after 18 iterations. iteration 84: trace = 6.708845623153671 (3.54254e-09% change) linmin: converged after 4 iterations. iteration 85: trace = 6.708845622824374 (4.90841e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.708845622521746 (4.51087e-09% change) linmin: converged after 5 iterations. iteration 87: trace = 6.708845622386532 (2.01547e-09% change) linmin: converged after 3 iterations. iteration 88: trace = 6.708845622195872 (2.84192e-09% change) linmin: converged after 13 iterations. iteration 89: trace = 6.70884562208354 (1.67439e-09% change) linmin: converged after 18 iterations. iteration 90: trace = 6.708845622026524 (8.49859e-10% change) linmin: converged after 4 iterations. iteration 91: trace = 6.70884562197662 (7.43855e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 6.708845621907461 (1.03086e-09% change) linmin: converged after 4 iterations. iteration 93: trace = 6.708845621861144 (6.90383e-10% change) linmin: converged after 2 iterations. iteration 94: trace = 6.708845621839582 (3.21401e-10% change) linmin: converged after 7 iterations. iteration 95: trace = 6.708845621811404 (4.20005e-10% change) linmin: converged after 20 iterations. iteration 96: trace = 6.708845621769485 (6.24837e-10% change) linmin: converged after 2 iterations. iteration 97: trace = 6.708845621745693 (3.54631e-10% change) linmin: converged after 9 iterations. iteration 98: trace = 6.708845621735803 (1.47429e-10% change) linmin: converged after 3 iterations. iteration 99: trace = 6.708845621726293 (1.41749e-10% change) linmin: converged after 6 iterations. iteration 100: trace = 6.708845621714833 (1.70822e-10% change) linmin: converged after 16 iterations. iteration 101: trace = 6.708845621703096 (1.74939e-10% change) linmin: converged after 2 iterations. iteration 102: trace = 6.708845621696623 (9.64852e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 elapsed time for k point: 0.6187667846679688 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.789698402540012 (0.215823% change) linmin: converged after 4 iterations. iteration 2: trace = 6.777922809184626 (0.173584% change) linmin: converged after 4 iterations. iteration 3: trace = 6.769206232693758 (0.128685% change) linmin: converged after 4 iterations. iteration 4: trace = 6.76325344397442 (0.0879779% change) linmin: converged after 4 iterations. iteration 5: trace = 6.760899822538645 (0.0348062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.758681340451685 (0.0328188% change) linmin: converged after 3 iterations. iteration 7: trace = 6.757086578769755 (0.0235985% change) linmin: converged after 4 iterations. iteration 8: trace = 6.75583213723433 (0.0185666% change) linmin: converged after 3 iterations. iteration 9: trace = 6.754118420493429 (0.0253697% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751749024984656 (0.0350869% change) linmin: converged after 3 iterations. iteration 11: trace = 6.749302777868128 (0.0362379% change) linmin: converged after 3 iterations. iteration 12: trace = 6.748516468829814 (0.0116509% change) linmin: converged after 4 iterations. iteration 13: trace = 6.747249192728425 (0.0187804% change) linmin: converged after 3 iterations. iteration 14: trace = 6.746632657937885 (0.00913799% change) linmin: converged after 4 iterations. iteration 15: trace = 6.745834648382977 (0.011829% change) linmin: converged after 3 iterations. iteration 16: trace = 6.745082859682247 (0.0111451% change) linmin: converged after 3 iterations. iteration 17: trace = 6.743977423369205 (0.0163901% change) linmin: converged after 3 iterations. iteration 18: trace = 6.743390498642494 (0.00870332% change) linmin: converged after 4 iterations. iteration 19: trace = 6.743072725681261 (0.00471247% change) linmin: converged after 3 iterations. iteration 20: trace = 6.74271595156103 (0.00529111% change) linmin: converged after 4 iterations. iteration 21: trace = 6.742464067615607 (0.00373571% change) linmin: converged after 3 iterations. iteration 22: trace = 6.742330442516543 (0.00198186% change) linmin: converged after 3 iterations. iteration 23: trace = 6.742122757347128 (0.00308036% change) linmin: converged after 3 iterations. iteration 24: trace = 6.742003824595118 (0.00176404% change) linmin: converged after 3 iterations. iteration 25: trace = 6.741881004987275 (0.00182172% change) linmin: converged after 3 iterations. iteration 26: trace = 6.741788398443999 (0.00137361% change) linmin: converged after 3 iterations. iteration 27: trace = 6.741624598216273 (0.00242966% change) linmin: converged after 3 iterations. iteration 28: trace = 6.741503235165387 (0.00180022% change) linmin: converged after 3 iterations. iteration 29: trace = 6.741388464304385 (0.00170247% change) linmin: converged after 4 iterations. iteration 30: trace = 6.741262264289297 (0.00187204% change) linmin: converged after 5 iterations. iteration 31: trace = 6.741141889768689 (0.00178565% change) linmin: converged after 3 iterations. iteration 32: trace = 6.741091944003339 (0.000740912% change) large trace change predicted (0.00157116%) linmin: converged after 3 iterations. iteration 33: trace = 6.740986066559797 (0.00157064% change) linmin: converged after 3 iterations. iteration 34: trace = 6.740890541670522 (0.00141709% change) linmin: converged after 3 iterations. iteration 35: trace = 6.7408213747181 (0.00102609% change) linmin: converged after 3 iterations. iteration 36: trace = 6.740737624556463 (0.00124244% change) linmin: converged after 3 iterations. iteration 37: trace = 6.740661829510442 (0.00112444% change) linmin: converged after 3 iterations. iteration 38: trace = 6.740629883340712 (0.000473933% change) linmin: converged after 3 iterations. iteration 39: trace = 6.740602082550813 (0.000412437% change) linmin: converged after 3 iterations. iteration 40: trace = 6.740570553168162 (0.000467754% change) linmin: converged after 7 iterations. iteration 41: trace = 6.74053612837471 (0.000510712% change) linmin: converged after 4 iterations. iteration 42: trace = 6.740511929686533 (0.000359003% change) linmin: converged after 5 iterations. iteration 43: trace = 6.740477773353071 (0.000506733% change) linmin: converged after 3 iterations. iteration 44: trace = 6.740464321378628 (0.00019957% change) linmin: converged after 4 iterations. iteration 45: trace = 6.740454926780418 (0.000139376% change) linmin: converged after 3 iterations. iteration 46: trace = 6.74044291111251 (0.000178262% change) linmin: converged after 3 iterations. iteration 47: trace = 6.74043321663761 (0.000143826% change) linmin: converged after 3 iterations. iteration 48: trace = 6.740427223431901 (8.89143e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.740422385872732 (7.17694e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 6.740416728690716 (8.39292e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 6.740414143557759 (3.83527e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 6.740411995084093 (3.18745e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.740409269342337 (4.04388e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 6.740406804496367 (3.65682e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.740405527571734 (1.89443e-05% change) linmin: converged after 4 iterations. iteration 56: trace = 6.740404266827904 (1.87043e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.740403728311245 (7.98938e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 6.740403437939013 (4.30794e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 6.740402943742991 (7.33185e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.740402141544934 (1.19013e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 6.740401774224003 (5.44954e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.740401383616216 (5.79502e-06% change) linmin: converged after 4 iterations. iteration 63: trace = 6.740401213266169 (2.5273e-06% change) linmin: converged after 3 iterations. iteration 64: trace = 6.740401083251827 (1.92888e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.740400960788135 (1.81686e-06% change) linmin: converged after 5 iterations. iteration 66: trace = 6.740400775678938 (2.74626e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 6.740400708064454 (1.00312e-06% change) linmin: converged after 2 iterations. iteration 68: trace = 6.7404006600371 (7.1253e-07% change) linmin: converged after 3 iterations. iteration 69: trace = 6.740400622536338 (5.56358e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.740400603098549 (2.88377e-07% change) linmin: converged after 5 iterations. iteration 71: trace = 6.740400587214242 (2.35658e-07% change) linmin: converged after 3 iterations. iteration 72: trace = 6.740400563938179 (3.45322e-07% change) linmin: converged after 7 iterations. iteration 73: trace = 6.740400533808574 (4.47e-07% change) linmin: converged after 15 iterations. iteration 74: trace = 6.740400521523085 (1.82266e-07% change) linmin: converged after 15 iterations. iteration 75: trace = 6.740400502324264 (2.84832e-07% change) linmin: converged after 7 iterations. iteration 76: trace = 6.740400485755293 (2.45816e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 6.740400468326008 (2.58579e-07% change) linmin: converged after 2 iterations. iteration 78: trace = 6.740400451024832 (2.56679e-07% change) linmin: converged after 25 iterations. iteration 79: trace = 6.740400430657317 (3.02171e-07% change) linmin: converged after 4 iterations. iteration 80: trace = 6.74040041960462 (1.63977e-07% change) linmin: converged after 3 iterations. iteration 81: trace = 6.740400411507297 (1.20131e-07% change) linmin: converged after 4 iterations. iteration 82: trace = 6.740400400768515 (1.5932e-07% change) linmin: converged after 5 iterations. iteration 83: trace = 6.740400386871048 (2.06182e-07% change) linmin: converged after 3 iterations. iteration 84: trace = 6.740400376262158 (1.57393e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 6.740400359182829 (2.53387e-07% change) linmin: converged after 10 iterations. iteration 86: trace = 6.740400345748313 (1.99313e-07% change) linmin: converged after 10 iterations. iteration 87: trace = 6.740400338468786 (1.07998e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 6.740400333643256 (7.15911e-08% change) linmin: converged after 8 iterations. iteration 89: trace = 6.740400326301053 (1.08928e-07% change) linmin: converged after 2 iterations. iteration 90: trace = 6.74040031633631 (1.47836e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.740400308681972 (1.13559e-07% change) linmin: converged after 10 iterations. iteration 92: trace = 6.74040030005929 (1.27925e-07% change) linmin: converged after 5 iterations. iteration 93: trace = 6.740400294142137 (8.77864e-08% change) linmin: converged after 8 iterations. iteration 94: trace = 6.740400290939562 (4.75131e-08% change) linmin: converged after 6 iterations. iteration 95: trace = 6.740400289529115 (2.09253e-08% change) large trace change predicted (5.32799e-08%) linmin: converged after 3 iterations. iteration 96: trace = 6.740400285937808 (5.32803e-08% change) linmin: converged after 7 iterations. iteration 97: trace = 6.740400283463555 (3.67078e-08% change) linmin: converged after 4 iterations. iteration 98: trace = 6.740400281359919 (3.12094e-08% change) linmin: converged after 18 iterations. iteration 99: trace = 6.740400280453484 (1.34478e-08% change) linmin: converged after 7 iterations. iteration 100: trace = 6.740400279643643 (1.20147e-08% change) linmin: converged after 4 iterations. iteration 101: trace = 6.740400278718579 (1.37242e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.740400277875298 (1.25108e-08% change) linmin: converged after 9 iterations. iteration 103: trace = 6.740400277061934 (1.2067e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.740400276406529 (9.72354e-09% change) linmin: converged after 7 iterations. iteration 105: trace = 6.74040027574557 (9.80594e-09% change) linmin: converged after 4 iterations. iteration 106: trace = 6.74040027537741 (5.46199e-09% change) linmin: converged after 18 iterations. iteration 107: trace = 6.740400275190824 (2.76817e-09% change) linmin: converged after 17 iterations. iteration 108: trace = 6.740400275002443 (2.7948e-09% change) linmin: converged after 5 iterations. iteration 109: trace = 6.740400274841483 (2.38799e-09% change) linmin: converged after 4 iterations. iteration 110: trace = 6.740400274671768 (2.51788e-09% change) linmin: converged after 2 iterations. iteration 111: trace = 6.740400274625507 (6.86321e-10% change) linmin: converged after 4 iterations. iteration 112: trace = 6.740400274539467 (1.27649e-09% change) linmin: converged after 4 iterations. iteration 113: trace = 6.740400274488167 (7.61087e-10% change) linmin: converged after 21 iterations. iteration 114: trace = 6.740400274429472 (8.70785e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 6.740400274391492 (5.63472e-10% change) linmin: converged after 5 iterations. iteration 116: trace = 6.740400274344982 (6.9001e-10% change) linmin: converged after 4 iterations. iteration 117: trace = 6.740400274310222 (5.15706e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 6.74040027429874 (1.70338e-10% change) large trace change predicted (3.6214e-10%) linmin: converged after 10 iterations. iteration 119: trace = 6.740400274274326 (3.62208e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 6.740400274257132 (2.55092e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 6.740400274245594 (1.71168e-10% change) linmin: converged after 9 iterations. iteration 122: trace = 6.740400274235709 (1.46659e-10% change) linmin: converged after 7 iterations. iteration 123: trace = 6.740400274229645 (8.9959e-11% change) Finished solving for bands 1 to 8 after 123 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 elapsed time for k point: 0.7455129623413086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.787868941618761 (0.213565% change) linmin: converged after 3 iterations. iteration 2: trace = 6.776022098480381 (0.174682% change) linmin: converged after 3 iterations. iteration 3: trace = 6.76992906661587 (0.0899609% change) linmin: converged after 4 iterations. iteration 4: trace = 6.767085857494177 (0.0420064% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765298901818625 (0.0264101% change) linmin: converged after 3 iterations. iteration 6: trace = 6.763340700372273 (0.028949% change) linmin: converged after 4 iterations. iteration 7: trace = 6.760043700357894 (0.04876% change) linmin: converged after 4 iterations. iteration 8: trace = 6.757627087966904 (0.0357549% change) linmin: converged after 4 iterations. iteration 9: trace = 6.754119981759141 (0.051912% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751635252414195 (0.0367951% change) linmin: converged after 4 iterations. iteration 11: trace = 6.749275853760886 (0.0349517% change) linmin: converged after 4 iterations. iteration 12: trace = 6.748513930768448 (0.0112896% change) large trace change predicted (0.0342017%) linmin: converged after 3 iterations. iteration 13: trace = 6.74618277875398 (0.0345492% change) linmin: converged after 3 iterations. iteration 14: trace = 6.744300917410761 (0.0278991% change) linmin: converged after 3 iterations. iteration 15: trace = 6.742003501068925 (0.0340704% change) linmin: converged after 3 iterations. iteration 16: trace = 6.740281226318531 (0.0255487% change) linmin: converged after 3 iterations. iteration 17: trace = 6.739215712577741 (0.0158094% change) linmin: converged after 4 iterations. iteration 18: trace = 6.738862119498992 (0.00524694% change) linmin: converged after 3 iterations. iteration 19: trace = 6.738332341719693 (0.00786184% change) linmin: converged after 3 iterations. iteration 20: trace = 6.73762597786491 (0.0104833% change) linmin: converged after 3 iterations. iteration 21: trace = 6.737211476994393 (0.00615222% change) linmin: converged after 3 iterations. iteration 22: trace = 6.736596718922851 (0.00912523% change) linmin: converged after 3 iterations. iteration 23: trace = 6.736116020675262 (0.00713588% change) linmin: converged after 4 iterations. iteration 24: trace = 6.735569722372651 (0.00811032% change) linmin: converged after 3 iterations. iteration 25: trace = 6.735310736074355 (0.00384513% change) linmin: converged after 3 iterations. iteration 26: trace = 6.734879752491319 (0.00639907% change) linmin: converged after 4 iterations. iteration 27: trace = 6.734393252444057 (0.00722385% change) linmin: converged after 3 iterations. iteration 28: trace = 6.733901766968647 (0.00729841% change) linmin: converged after 3 iterations. iteration 29: trace = 6.733209908076175 (0.0102748% change) linmin: converged after 6 iterations. iteration 30: trace = 6.732349668676493 (0.0127769% change) linmin: converged after 4 iterations. iteration 31: trace = 6.731921925214846 (0.00635376% change) linmin: converged after 3 iterations. iteration 32: trace = 6.73146116644943 (0.00684462% change) linmin: converged after 3 iterations. iteration 33: trace = 6.731024321106626 (0.00648982% change) linmin: converged after 3 iterations. iteration 34: trace = 6.730758298578559 (0.00395226% change) linmin: converged after 3 iterations. iteration 35: trace = 6.730487930056411 (0.00401699% change) linmin: converged after 3 iterations. iteration 36: trace = 6.730155608346905 (0.00493768% change) linmin: converged after 3 iterations. iteration 37: trace = 6.729721105743319 (0.00645626% change) linmin: converged after 5 iterations. iteration 38: trace = 6.729527833788968 (0.00287196% change) linmin: converged after 3 iterations. iteration 39: trace = 6.729325309272428 (0.00300954% change) linmin: converged after 4 iterations. iteration 40: trace = 6.729238825161824 (0.00128519% change) linmin: converged after 3 iterations. iteration 41: trace = 6.729183790569028 (0.000817846% change) linmin: converged after 4 iterations. iteration 42: trace = 6.729120122972619 (0.000946146% change) linmin: converged after 3 iterations. iteration 43: trace = 6.729017043899399 (0.00153185% change) linmin: converged after 3 iterations. iteration 44: trace = 6.728962331353364 (0.000813087% change) linmin: converged after 3 iterations. iteration 45: trace = 6.728906726607305 (0.000826353% change) linmin: converged after 3 iterations. iteration 46: trace = 6.7288674966053 (0.000583009% change) linmin: converged after 3 iterations. iteration 47: trace = 6.728848431854964 (0.000283328% change) linmin: converged after 3 iterations. iteration 48: trace = 6.728839597388681 (0.000131292% change) linmin: converged after 4 iterations. iteration 49: trace = 6.728828037458575 (0.000171797% change) linmin: converged after 5 iterations. iteration 50: trace = 6.728815695933926 (0.000183413% change) linmin: converged after 4 iterations. iteration 51: trace = 6.728808306215958 (0.000109822% change) linmin: converged after 3 iterations. iteration 52: trace = 6.728797313712378 (0.000163365% change) linmin: converged after 3 iterations. iteration 53: trace = 6.728790324696873 (0.000103867% change) linmin: converged after 5 iterations. iteration 54: trace = 6.728785445280219 (7.25155e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.728781936304378 (5.21487e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.728777421827271 (6.70921e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.728774456663765 (4.40669e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.728770671165874 (5.62584e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.728766385179979 (6.36964e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.728759704126928 (9.9291e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 6.728756010862691 (5.48878e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 6.728751331413709 (6.95441e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.728747964603276 (5.00362e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.728746081765632 (2.7982e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.728743718559665 (3.51211e-05% change) linmin: converged after 7 iterations. iteration 66: trace = 6.728741219483796 (3.71403e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 6.728737884044169 (4.95701e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 6.728735364386599 (3.74462e-05% change) linmin: converged after 7 iterations. iteration 69: trace = 6.728731339106885 (5.98223e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.728730345702195 (1.47636e-05% change) linmin: converged after 3 iterations. iteration 71: trace = 6.728729609107984 (1.0947e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.728728724223193 (1.31508e-05% change) linmin: converged after 4 iterations. iteration 73: trace = 6.728727748843896 (1.44957e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 6.728727117814104 (9.37814e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.728726358653099 (1.12824e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 6.72872554741707 (1.20563e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 6.72872509030366 (6.79346e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.728724367522501 (1.07417e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 6.72872358826846 (1.1581e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 6.728722668986204 (1.36621e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 6.728722087340357 (8.64422e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 6.728721147171524 (1.39725e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 6.728720480061222 (9.91437e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.728720022561202 (6.79921e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.728719590887069 (6.4154e-06% change) linmin: converged after 3 iterations. iteration 86: trace = 6.728719153441071 (6.50118e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.728718340009831 (1.20889e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.72871740899841 (1.38364e-05% change) linmin: converged after 4 iterations. iteration 89: trace = 6.728717035071343 (5.55718e-06% change) linmin: converged after 5 iterations. iteration 90: trace = 6.728716494418849 (8.035e-06% change) linmin: converged after 3 iterations. iteration 91: trace = 6.728716174161589 (4.75956e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 6.72871587428043 (4.45674e-06% change) linmin: converged after 11 iterations. iteration 93: trace = 6.72871560798205 (3.95764e-06% change) large trace change predicted (1.12239e-05%) linmin: converged after 5 iterations. iteration 94: trace = 6.728714852607432 (1.12261e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 6.728714143438846 (1.05394e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 6.728713790549917 (5.24452e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.728713564804392 (3.35496e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 6.728713374895941 (2.82236e-06% change) linmin: converged after 2 iterations. iteration 99: trace = 6.728713158701467 (3.21301e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 6.728713034439581 (1.84674e-06% change) large trace change predicted (4.58133e-06%) linmin: converged after 10 iterations. iteration 101: trace = 6.72871272617565 (4.58132e-06% change) linmin: converged after 5 iterations. iteration 102: trace = 6.728712545133647 (2.69059e-06% change) linmin: converged after 3 iterations. iteration 103: trace = 6.72871245663579 (1.31523e-06% change) linmin: converged after 5 iterations. iteration 104: trace = 6.728712395632627 (9.0661e-07% change) linmin: converged after 18 iterations. iteration 105: trace = 6.728712336928318 (8.72445e-07% change) linmin: converged after 2 iterations. iteration 106: trace = 6.728712234813192 (1.5176e-06% change) linmin: converged after 18 iterations. iteration 107: trace = 6.728712175414977 (8.82758e-07% change) linmin: converged after 5 iterations. iteration 108: trace = 6.728712079897969 (1.41954e-06% change) linmin: converged after 4 iterations. iteration 109: trace = 6.728712039127421 (6.05919e-07% change) linmin: converged after 4 iterations. iteration 110: trace = 6.728712017364623 (3.23432e-07% change) linmin: converged after 3 iterations. iteration 111: trace = 6.728711999663398 (2.6307e-07% change) linmin: converged after 4 iterations. iteration 112: trace = 6.728711988199205 (1.70377e-07% change) large trace change predicted (5.35313e-07%) linmin: converged after 4 iterations. iteration 113: trace = 6.728711952180902 (5.35293e-07% change) linmin: converged after 3 iterations. iteration 114: trace = 6.728711934350375 (2.64992e-07% change) linmin: converged after 9 iterations. iteration 115: trace = 6.728711913892715 (3.04035e-07% change) linmin: converged after 4 iterations. iteration 116: trace = 6.728711900894777 (1.93171e-07% change) linmin: converged after 8 iterations. iteration 117: trace = 6.728711892057472 (1.31337e-07% change) linmin: converged after 6 iterations. iteration 118: trace = 6.728711886381656 (8.43522e-08% change) linmin: converged after 9 iterations. iteration 119: trace = 6.728711875162885 (1.6673e-07% change) linmin: converged after 7 iterations. iteration 120: trace = 6.728711860792624 (2.13566e-07% change) linmin: converged after 2 iterations. iteration 121: trace = 6.728711852035588 (1.30144e-07% change) linmin: converged after 4 iterations. iteration 122: trace = 6.728711846069638 (8.86641e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 6.72871184011905 (8.84358e-08% change) linmin: converged after 4 iterations. iteration 124: trace = 6.728711834492496 (8.36201e-08% change) linmin: converged after 14 iterations. iteration 125: trace = 6.728711831295445 (4.75136e-08% change) large trace change predicted (1.17141e-07%) linmin: converged after 5 iterations. iteration 126: trace = 6.728711823413446 (1.1714e-07% change) linmin: converged after 9 iterations. iteration 127: trace = 6.728711817748645 (8.41885e-08% change) linmin: converged after 18 iterations. iteration 128: trace = 6.728711814569593 (4.72461e-08% change) linmin: converged after 4 iterations. iteration 129: trace = 6.728711812211834 (3.50403e-08% change) large trace change predicted (8.45552e-08%) linmin: converged after 4 iterations. iteration 130: trace = 6.728711806522409 (8.45544e-08% change) large trace change predicted (2.29726e-07%) linmin: converged after 5 iterations. iteration 131: trace = 6.728711791065719 (2.29712e-07% change) linmin: converged after 4 iterations. iteration 132: trace = 6.728711774760903 (2.42317e-07% change) linmin: converged after 4 iterations. iteration 133: trace = 6.728711761604093 (1.95532e-07% change) linmin: converged after 4 iterations. iteration 134: trace = 6.728711750597898 (1.63571e-07% change) large trace change predicted (4.60699e-07%) linmin: converged after 10 iterations. iteration 135: trace = 6.728711719599451 (4.60689e-07% change) linmin: converged after 2 iterations. iteration 136: trace = 6.728711660575756 (8.77192e-07% change) large trace change predicted (2.08552e-06%) linmin: converged after 4 iterations. iteration 137: trace = 6.728711520211803 (2.08605e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 138: trace = 6.728465052028371 (0.003663% change) linmin: converged after 5 iterations. iteration 139: trace = 6.728464202183762 (1.26306e-05% change) resetting CG direction... large trace change predicted (0.0184248%) linmin: converged after 4 iterations. iteration 140: trace = 6.727225670170559 (0.018409% change) linmin: converged after 4 iterations. iteration 141: trace = 6.726387590530656 (0.0124588% change) linmin: converged after 3 iterations. iteration 142: trace = 6.725680184433979 (0.0105174% change) linmin: converged after 4 iterations. iteration 143: trace = 6.724746201346508 (0.0138878% change) linmin: converged after 7 iterations. iteration 144: trace = 6.724256167612527 (0.00728729% change) large trace change predicted (0.0177432%) linmin: converged after 3 iterations. iteration 145: trace = 6.723058136479112 (0.0178181% change) linmin: converged after 3 iterations. iteration 146: trace = 6.721590996713515 (0.0218249% change) linmin: converged after 3 iterations. iteration 147: trace = 6.720496417550089 (0.0162859% change) linmin: converged after 14 iterations. iteration 148: trace = 6.720120980306572 (0.00558661% change) linmin: converged after 3 iterations. iteration 149: trace = 6.719629682860772 (0.00731111% change) linmin: converged after 3 iterations. iteration 150: trace = 6.719110763872809 (0.00772273% change) linmin: converged after 4 iterations. iteration 151: trace = 6.718622998640353 (0.00725964% change) linmin: converged after 4 iterations. iteration 152: trace = 6.717873329396619 (0.0111587% change) linmin: converged after 4 iterations. iteration 153: trace = 6.717203357534577 (0.00997347% change) linmin: converged after 4 iterations. iteration 154: trace = 6.716425495957477 (0.0115808% change) linmin: converged after 3 iterations. iteration 155: trace = 6.716037014926792 (0.00578421% change) linmin: converged after 4 iterations. iteration 156: trace = 6.715270861601974 (0.0114085% change) linmin: converged after 3 iterations. iteration 157: trace = 6.714234395327811 (0.0154357% change) linmin: converged after 4 iterations. iteration 158: trace = 6.713314192592557 (0.0137062% change) linmin: converged after 3 iterations. iteration 159: trace = 6.711854503131645 (0.0217456% change) linmin: converged after 5 iterations. iteration 160: trace = 6.709898602357587 (0.0291452% change) linmin: converged after 4 iterations. iteration 161: trace = 6.707657310593067 (0.0334083% change) linmin: converged after 4 iterations. iteration 162: trace = 6.70652710815731 (0.0168509% change) linmin: converged after 4 iterations. iteration 163: trace = 6.704294987753909 (0.0332883% change) linmin: converged after 6 iterations. iteration 164: trace = 6.702317773522212 (0.0294961% change) linmin: converged after 5 iterations. iteration 165: trace = 6.699271102363946 (0.0454673% change) linmin: converged after 5 iterations. iteration 166: trace = 6.695290056097197 (0.0594427% change) linmin: converged after 7 iterations. iteration 167: trace = 6.691518722870164 (0.056344% change) linmin: converged after 5 iterations. iteration 168: trace = 6.687850703536997 (0.054831% change) linmin: converged after 4 iterations. iteration 169: trace = 6.685975389033564 (0.0280445% change) linmin: converged after 4 iterations. iteration 170: trace = 6.684721883185482 (0.01875% change) linmin: converged after 4 iterations. iteration 171: trace = 6.683252265551213 (0.0219871% change) linmin: converged after 3 iterations. iteration 172: trace = 6.682221944554534 (0.0154176% change) linmin: converged after 3 iterations. iteration 173: trace = 6.681419790185795 (0.012005% change) linmin: converged after 4 iterations. iteration 174: trace = 6.68015895408827 (0.0188726% change) linmin: converged after 4 iterations. iteration 175: trace = 6.678688261946259 (0.0220182% change) linmin: converged after 4 iterations. iteration 176: trace = 6.677398674762745 (0.0193109% change) linmin: converged after 4 iterations. iteration 177: trace = 6.675743896738738 (0.0247848% change) linmin: converged after 4 iterations. iteration 178: trace = 6.673850196175163 (0.0283709% change) linmin: converged after 4 iterations. iteration 179: trace = 6.672013635763772 (0.0275225% change) linmin: converged after 4 iterations. iteration 180: trace = 6.670262185606556 (0.0262541% change) linmin: converged after 4 iterations. iteration 181: trace = 6.669026805118524 (0.0185224% change) linmin: converged after 5 iterations. iteration 182: trace = 6.668049543301572 (0.0146548% change) linmin: converged after 4 iterations. iteration 183: trace = 6.666906768726656 (0.0171395% change) linmin: converged after 5 iterations. iteration 184: trace = 6.665999390113961 (0.0136111% change) linmin: converged after 3 iterations. iteration 185: trace = 6.665499340640187 (0.00750177% change) linmin: converged after 4 iterations. iteration 186: trace = 6.665024495688508 (0.00712418% change) linmin: converged after 3 iterations. iteration 187: trace = 6.664418224479248 (0.00909672% change) linmin: converged after 7 iterations. iteration 188: trace = 6.663924294348037 (0.00741173% change) linmin: converged after 3 iterations. iteration 189: trace = 6.663518663923695 (0.00608715% change) linmin: converged after 3 iterations. iteration 190: trace = 6.663009199644129 (0.00764587% change) linmin: converged after 5 iterations. iteration 191: trace = 6.662347801470429 (0.00992691% change) linmin: converged after 4 iterations. iteration 192: trace = 6.661524813297024 (0.0123536% change) linmin: converged after 4 iterations. iteration 193: trace = 6.660609132042394 (0.0137468% change) linmin: converged after 4 iterations. iteration 194: trace = 6.659930512179589 (0.0101891% change) linmin: converged after 6 iterations. iteration 195: trace = 6.659423967212249 (0.00760615% change) linmin: converged after 5 iterations. iteration 196: trace = 6.658845882317971 (0.00868108% change) linmin: converged after 3 iterations. iteration 197: trace = 6.65833465823114 (0.00767766% change) linmin: converged after 3 iterations. iteration 198: trace = 6.658045818890158 (0.00433811% change) linmin: converged after 3 iterations. iteration 199: trace = 6.657814669536256 (0.00347179% change) linmin: converged after 4 iterations. iteration 200: trace = 6.657518703428868 (0.00444549% change) linmin: converged after 3 iterations. iteration 201: trace = 6.65721478112431 (0.0045652% change) linmin: converged after 5 iterations. iteration 202: trace = 6.656933532200783 (0.00422481% change) linmin: converged after 3 iterations. iteration 203: trace = 6.656587843600366 (0.00519305% change) linmin: converged after 4 iterations. iteration 204: trace = 6.656175076130328 (0.00620108% change) linmin: converged after 3 iterations. iteration 205: trace = 6.655736760430188 (0.00658532% change) linmin: converged after 3 iterations. iteration 206: trace = 6.655282372011525 (0.00682725% change) linmin: converged after 3 iterations. iteration 207: trace = 6.654934601432212 (0.00522562% change) linmin: converged after 3 iterations. iteration 208: trace = 6.654678151045698 (0.00385361% change) linmin: converged after 3 iterations. iteration 209: trace = 6.654370645668481 (0.004621% change) resetting CG direction... large trace change predicted (0.00953096%) linmin: converged after 3 iterations. iteration 210: trace = 6.653734021942329 (0.00956746% change) linmin: converged after 4 iterations. iteration 211: trace = 6.652971331034476 (0.0114633% change) linmin: converged after 4 iterations. iteration 212: trace = 6.652002827476375 (0.0145585% change) linmin: converged after 3 iterations. iteration 213: trace = 6.651286209350241 (0.0107735% change) linmin: converged after 5 iterations. iteration 214: trace = 6.650837271835792 (0.00674986% change) large trace change predicted (0.0193391%) linmin: converged after 3 iterations. iteration 215: trace = 6.649539474461997 (0.0195152% change) linmin: converged after 3 iterations. iteration 216: trace = 6.648510083372565 (0.0154818% change) linmin: converged after 3 iterations. iteration 217: trace = 6.647980339916255 (0.00796817% change) linmin: converged after 3 iterations. iteration 218: trace = 6.647615451110134 (0.00548887% change) linmin: converged after 3 iterations. iteration 219: trace = 6.647091317934905 (0.00788484% change) linmin: converged after 4 iterations. iteration 220: trace = 6.646422541909829 (0.0100617% change) linmin: converged after 4 iterations. iteration 221: trace = 6.645551228482385 (0.0131104% change) linmin: converged after 3 iterations. iteration 222: trace = 6.644472138878054 (0.0162391% change) linmin: converged after 3 iterations. iteration 223: trace = 6.644009893870725 (0.00695708% change) linmin: converged after 4 iterations. iteration 224: trace = 6.643710157708425 (0.00451148% change) linmin: converged after 4 iterations. iteration 225: trace = 6.643375303506406 (0.0050403% change) linmin: converged after 4 iterations. iteration 226: trace = 6.64275621234844 (0.00931936% change) linmin: converged after 3 iterations. iteration 227: trace = 6.642363878543177 (0.00590636% change) linmin: converged after 4 iterations. iteration 228: trace = 6.641680994332497 (0.0102813% change) linmin: converged after 4 iterations. iteration 229: trace = 6.641114758871316 (0.00852585% change) linmin: converged after 3 iterations. iteration 230: trace = 6.64071368687978 (0.00603941% change) linmin: converged after 7 iterations. iteration 231: trace = 6.640434090562495 (0.00421042% change) linmin: converged after 5 iterations. iteration 232: trace = 6.640119211598217 (0.00474196% change) linmin: converged after 6 iterations. iteration 233: trace = 6.639902046612212 (0.00327055% change) linmin: converged after 4 iterations. iteration 234: trace = 6.63957501130691 (0.00492542% change) linmin: converged after 7 iterations. iteration 235: trace = 6.639325072147652 (0.00376446% change) linmin: converged after 4 iterations. iteration 236: trace = 6.639218484211825 (0.00160542% change) linmin: converged after 5 iterations. iteration 237: trace = 6.639148710078965 (0.00105094% change) linmin: converged after 6 iterations. iteration 238: trace = 6.639067895394519 (0.00121725% change) linmin: converged after 4 iterations. iteration 239: trace = 6.639016127198259 (0.000779754% change) linmin: converged after 4 iterations. iteration 240: trace = 6.638968472542567 (0.0007178% change) linmin: converged after 4 iterations. iteration 241: trace = 6.63889603719281 (0.00109107% change) linmin: converged after 7 iterations. iteration 242: trace = 6.638849856045798 (0.000695617% change) linmin: converged after 3 iterations. iteration 243: trace = 6.63881574346586 (0.000513834% change) linmin: converged after 8 iterations. iteration 244: trace = 6.638799478784 (0.000244994% change) linmin: converged after 3 iterations. iteration 245: trace = 6.638789010025883 (0.000157691% change) linmin: converged after 3 iterations. iteration 246: trace = 6.638782676455686 (9.54025e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 6.638771442919003 (0.000169211% change) linmin: converged after 5 iterations. iteration 248: trace = 6.63876396797207 (0.000112595% change) linmin: converged after 4 iterations. iteration 249: trace = 6.638757041238585 (0.000104338% change) linmin: converged after 4 iterations. iteration 250: trace = 6.63875181895463 (7.86636e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 6.638748272687267 (5.34177e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 6.638746723847516 (2.33303e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 6.638744550600101 (3.27358e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 6.638743112142956 (2.16676e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 6.638741274188764 (2.76853e-05% change) linmin: converged after 16 iterations. iteration 256: trace = 6.638739467298501 (2.72174e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 6.638738349202688 (1.6842e-05% change) linmin: converged after 6 iterations. iteration 258: trace = 6.638737835689367 (7.7351e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 6.638737218899633 (9.29077e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 6.638736854734873 (5.48545e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 6.63873627690166 (8.70396e-06% change) linmin: converged after 16 iterations. iteration 262: trace = 6.638735729089737 (8.25175e-06% change) linmin: converged after 4 iterations. iteration 263: trace = 6.6387352553989 (7.13526e-06% change) linmin: converged after 5 iterations. iteration 264: trace = 6.638735054672749 (3.02356e-06% change) linmin: converged after 5 iterations. iteration 265: trace = 6.638734869417193 (2.79052e-06% change) linmin: converged after 6 iterations. iteration 266: trace = 6.638734731754969 (2.07362e-06% change) linmin: converged after 16 iterations. iteration 267: trace = 6.638734628724432 (1.55196e-06% change) linmin: converged after 16 iterations. iteration 268: trace = 6.638734462768283 (2.49982e-06% change) linmin: converged after 16 iterations. iteration 269: trace = 6.638734304607528 (2.38239e-06% change) linmin: converged after 7 iterations. iteration 270: trace = 6.638734216530693 (1.32671e-06% change) linmin: converged after 5 iterations. iteration 271: trace = 6.638734134679857 (1.23293e-06% change) linmin: converged after 5 iterations. iteration 272: trace = 6.638734089154566 (6.85753e-07% change) linmin: converged after 6 iterations. iteration 273: trace = 6.638734054364789 (5.24042e-07% change) linmin: converged after 4 iterations. iteration 274: trace = 6.63873399397008 (9.09732e-07% change) linmin: converged after 7 iterations. iteration 275: trace = 6.638733923635748 (1.05945e-06% change) linmin: converged after 4 iterations. iteration 276: trace = 6.638733868929354 (8.24049e-07% change) linmin: converged after 8 iterations. iteration 277: trace = 6.638733816587413 (7.88433e-07% change) linmin: converged after 7 iterations. iteration 278: trace = 6.638733780054953 (5.50293e-07% change) linmin: converged after 5 iterations. iteration 279: trace = 6.638733762993164 (2.57004e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 6.638733753319537 (1.45715e-07% change) linmin: converged after 8 iterations. iteration 281: trace = 6.638733739343934 (2.10516e-07% change) linmin: converged after 4 iterations. iteration 282: trace = 6.638733714968705 (3.67167e-07% change) linmin: converged after 5 iterations. iteration 283: trace = 6.638733697635013 (2.61099e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 6.638733679257065 (2.76829e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 6.638733663313102 (2.40166e-07% change) linmin: converged after 5 iterations. iteration 286: trace = 6.638733649720824 (2.04742e-07% change) linmin: converged after 4 iterations. iteration 287: trace = 6.638733642397483 (1.10312e-07% change) large trace change predicted (3.06615e-07%) linmin: converged after 4 iterations. iteration 288: trace = 6.638733622042839 (3.06604e-07% change) linmin: converged after 11 iterations. iteration 289: trace = 6.638733598840012 (3.49507e-07% change) linmin: converged after 3 iterations. iteration 290: trace = 6.638733576526505 (3.36111e-07% change) linmin: converged after 5 iterations. iteration 291: trace = 6.638733563837013 (1.91143e-07% change) linmin: converged after 5 iterations. iteration 292: trace = 6.638733549820286 (2.11136e-07% change) linmin: converged after 4 iterations. iteration 293: trace = 6.638733541093235 (1.31457e-07% change) linmin: converged after 6 iterations. iteration 294: trace = 6.638733535467152 (8.47463e-08% change) linmin: converged after 3 iterations. iteration 295: trace = 6.638733526098875 (1.41115e-07% change) linmin: converged after 7 iterations. iteration 296: trace = 6.638733515386362 (1.61364e-07% change) linmin: converged after 5 iterations. iteration 297: trace = 6.638733504209687 (1.68356e-07% change) linmin: converged after 6 iterations. iteration 298: trace = 6.638733499493042 (7.10474e-08% change) linmin: converged after 6 iterations. iteration 299: trace = 6.638733493647839 (8.8047e-08% change) linmin: converged after 14 iterations. iteration 300: trace = 6.638733488792827 (7.31316e-08% change) linmin: converged after 22 iterations. iteration 301: trace = 6.638733482768131 (9.07507e-08% change) linmin: converged after 6 iterations. iteration 302: trace = 6.638733478266698 (6.78056e-08% change) linmin: converged after 4 iterations. iteration 303: trace = 6.638733471761608 (9.79869e-08% change) linmin: converged after 4 iterations. iteration 304: trace = 6.638733467798773 (5.96926e-08% change) linmin: converged after 4 iterations. iteration 305: trace = 6.638733466611077 (1.78904e-08% change) linmin: converged after 7 iterations. iteration 306: trace = 6.638733465224359 (2.08883e-08% change) linmin: converged after 4 iterations. iteration 307: trace = 6.638733463533532 (2.54691e-08% change) linmin: converged after 4 iterations. iteration 308: trace = 6.638733461458933 (3.12499e-08% change) linmin: converged after 4 iterations. iteration 309: trace = 6.638733459683483 (2.67438e-08% change) linmin: converged after 8 iterations. iteration 310: trace = 6.638733459151364 (8.01536e-09% change) linmin: converged after 2 iterations. iteration 311: trace = 6.638733458305864 (1.27359e-08% change) linmin: converged after 8 iterations. iteration 312: trace = 6.638733457933458 (5.6096e-09% change) linmin: converged after 17 iterations. iteration 313: trace = 6.638733457618706 (4.74114e-09% change) linmin: converged after 4 iterations. iteration 314: trace = 6.638733457246565 (5.6056e-09% change) linmin: converged after 4 iterations. iteration 315: trace = 6.63873345662853 (9.30954e-09% change) linmin: converged after 27 iterations. iteration 316: trace = 6.638733456168647 (6.92727e-09% change) linmin: converged after 6 iterations. iteration 317: trace = 6.638733456016138 (2.29726e-09% change) linmin: converged after 3 iterations. iteration 318: trace = 6.63873345592733 (1.33773e-09% change) linmin: converged after 3 iterations. iteration 319: trace = 6.638733455861431 (9.92635e-10% change) linmin: converged after 4 iterations. iteration 320: trace = 6.638733455788412 (1.09991e-09% change) linmin: converged after 4 iterations. iteration 321: trace = 6.63873345572871 (8.99292e-10% change) linmin: converged after 10 iterations. iteration 322: trace = 6.638733455645148 (1.25871e-09% change) linmin: converged after 4 iterations. iteration 323: trace = 6.638733455573155 (1.08444e-09% change) linmin: converged after 4 iterations. iteration 324: trace = 6.638733455556595 (2.49433e-10% change) linmin: converged after 4 iterations. iteration 325: trace = 6.638733455540329 (2.45018e-10% change) linmin: converged after 2 iterations. iteration 326: trace = 6.638733455526417 (2.09564e-10% change) linmin: converged after 6 iterations. iteration 327: trace = 6.638733455512361 (2.11718e-10% change) linmin: converged after 6 iterations. iteration 328: trace = 6.638733455504184 (1.23178e-10% change) linmin: converged after 4 iterations. iteration 329: trace = 6.638733455491636 (1.89015e-10% change) linmin: converged after 4 iterations. iteration 330: trace = 6.638733455483589 (1.21211e-10% change) linmin: converged after 3 iterations. iteration 331: trace = 6.638733455480923 (4.0163e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 elapsed time for k point: 2.0033717155456543 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.6260576636651 (0.100231% change) linmin: converged after 4 iterations. iteration 2: trace = 6.622613155506363 (0.0519978% change) linmin: converged after 3 iterations. iteration 3: trace = 6.620673763192594 (0.0292887% change) linmin: converged after 3 iterations. iteration 4: trace = 6.61959770366671 (0.0162543% change) linmin: converged after 3 iterations. iteration 5: trace = 6.618315111654894 (0.0193776% change) linmin: converged after 3 iterations. iteration 6: trace = 6.617219287554234 (0.0165588% change) linmin: converged after 4 iterations. iteration 7: trace = 6.615295861087446 (0.0290712% change) linmin: converged after 5 iterations. iteration 8: trace = 6.61417947717352 (0.0168772% change) linmin: converged after 3 iterations. iteration 9: trace = 6.613750797582683 (0.00648143% change) linmin: converged after 4 iterations. iteration 10: trace = 6.613492236553606 (0.00390952% change) linmin: converged after 3 iterations. iteration 11: trace = 6.613099997166025 (0.00593107% change) linmin: converged after 3 iterations. iteration 12: trace = 6.612508104554861 (0.00895071% change) linmin: converged after 3 iterations. iteration 13: trace = 6.611911604270607 (0.00902119% change) linmin: converged after 4 iterations. iteration 14: trace = 6.611621979155153 (0.00438045% change) linmin: converged after 5 iterations. iteration 15: trace = 6.61152879743824 (0.00140937% change) linmin: converged after 10 iterations. iteration 16: trace = 6.611478379688956 (0.000762576% change) linmin: converged after 3 iterations. iteration 17: trace = 6.611426401150281 (0.000786189% change) linmin: converged after 3 iterations. iteration 18: trace = 6.611356799138305 (0.00105276% change) linmin: converged after 3 iterations. iteration 19: trace = 6.611309368452345 (0.000717415% change) linmin: converged after 3 iterations. iteration 20: trace = 6.611236277861248 (0.00110554% change) linmin: converged after 3 iterations. iteration 21: trace = 6.611184239585778 (0.000787122% change) linmin: converged after 3 iterations. iteration 22: trace = 6.611157390189376 (0.000406122% change) linmin: converged after 4 iterations. iteration 23: trace = 6.611149760151916 (0.000115412% change) linmin: converged after 3 iterations. iteration 24: trace = 6.611137418040058 (0.000186686% change) linmin: converged after 6 iterations. iteration 25: trace = 6.611117109453347 (0.000307188% change) linmin: converged after 3 iterations. iteration 26: trace = 6.611106886969172 (0.000154626% change) linmin: converged after 4 iterations. iteration 27: trace = 6.611093350464097 (0.000204754% change) linmin: converged after 3 iterations. iteration 28: trace = 6.611088832489158 (6.83393e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.611086831710893 (3.0264e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 6.611085128689046 (2.57601e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.611082646624049 (3.7544e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.611078563754775 (6.1758e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.611077155520979 (2.13011e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.611075809232332 (2.03641e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.611075193893146 (9.3077e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 6.611074698949416 (7.48658e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.611074407602309 (4.40696e-06% change) large trace change predicted (9.33395e-06%) linmin: converged after 7 iterations. iteration 38: trace = 6.611073790566093 (9.33337e-06% change) linmin: converged after 3 iterations. iteration 39: trace = 6.611073203340129 (8.88246e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 6.611073052510149 (2.28147e-06% change) linmin: converged after 23 iterations. iteration 41: trace = 6.611072941966639 (1.6721e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 6.611072860997261 (1.22475e-06% change) linmin: converged after 3 iterations. iteration 43: trace = 6.611072808574963 (7.92947e-07% change) linmin: converged after 9 iterations. iteration 44: trace = 6.611072776016216 (4.92488e-07% change) linmin: converged after 11 iterations. iteration 45: trace = 6.611072738164962 (5.72543e-07% change) linmin: converged after 7 iterations. iteration 46: trace = 6.611072698871501 (5.94358e-07% change) linmin: converged after 11 iterations. iteration 47: trace = 6.611072683715105 (2.29258e-07% change) linmin: converged after 12 iterations. iteration 48: trace = 6.611072672234465 (1.73658e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.611072662758118 (1.43341e-07% change) linmin: converged after 4 iterations. iteration 50: trace = 6.611072656974429 (8.74849e-08% change) linmin: converged after 6 iterations. iteration 51: trace = 6.611072652150455 (7.29681e-08% change) linmin: converged after 11 iterations. iteration 52: trace = 6.6110726464698 (8.59264e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 6.611072641173973 (8.01054e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.611072640190232 (1.48802e-08% change) linmin: converged after 13 iterations. iteration 55: trace = 6.611072639602208 (8.89454e-09% change) linmin: converged after 18 iterations. iteration 56: trace = 6.611072639215561 (5.84848e-09% change) linmin: converged after 19 iterations. iteration 57: trace = 6.611072638759536 (6.89789e-09% change) linmin: converged after 9 iterations. iteration 58: trace = 6.611072638475058 (4.30306e-09% change) linmin: converged after 24 iterations. iteration 59: trace = 6.611072638036691 (6.6308e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 6.611072637785712 (3.79634e-09% change) linmin: converged after 23 iterations. iteration 61: trace = 6.611072637654464 (1.98527e-09% change) linmin: converged after 8 iterations. iteration 62: trace = 6.611072637585958 (1.03623e-09% change) linmin: converged after 10 iterations. iteration 63: trace = 6.611072637534597 (7.76902e-10% change) linmin: converged after 5 iterations. iteration 64: trace = 6.611072637495156 (5.96582e-10% change) linmin: converged after 5 iterations. iteration 65: trace = 6.611072637473903 (3.21479e-10% change) large trace change predicted (1.05746e-09%) linmin: converged after 7 iterations. iteration 66: trace = 6.611072637403989 (1.05753e-09% change) linmin: converged after 5 iterations. iteration 67: trace = 6.611072637378327 (3.88169e-10% change) linmin: converged after 10 iterations. iteration 68: trace = 6.611072637366791 (1.7449e-10% change) linmin: converged after 3 iterations. iteration 69: trace = 6.611072637361785 (7.57315e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 elapsed time for k point: 0.4222724437713623 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.696548452574453 (0.194448% change) linmin: converged after 3 iterations. iteration 2: trace = 6.68934246550691 (0.107665% change) linmin: converged after 3 iterations. iteration 3: trace = 6.684968588109188 (0.0654071% change) linmin: converged after 4 iterations. iteration 4: trace = 6.682654417949922 (0.0346235% change) linmin: converged after 3 iterations. iteration 5: trace = 6.680578974781489 (0.031062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.677750730955622 (0.0423443% change) linmin: converged after 3 iterations. iteration 7: trace = 6.674361515953921 (0.0507667% change) linmin: converged after 4 iterations. iteration 8: trace = 6.672549249849368 (0.0271563% change) linmin: converged after 4 iterations. iteration 9: trace = 6.670357073705703 (0.0328591% change) linmin: converged after 4 iterations. iteration 10: trace = 6.669034273193324 (0.019833% change) linmin: converged after 3 iterations. iteration 11: trace = 6.667931878740369 (0.0165314% change) linmin: converged after 4 iterations. iteration 12: trace = 6.667446347570774 (0.00728185% change) large trace change predicted (0.0240835%) linmin: converged after 4 iterations. iteration 13: trace = 6.665843395724869 (0.0240444% change) linmin: converged after 3 iterations. iteration 14: trace = 6.664868522369391 (0.014626% change) linmin: converged after 3 iterations. iteration 15: trace = 6.663981786838425 (0.0133055% change) linmin: converged after 3 iterations. iteration 16: trace = 6.663285117050775 (0.0104548% change) linmin: converged after 4 iterations. iteration 17: trace = 6.662813208995669 (0.00708246% change) linmin: converged after 3 iterations. iteration 18: trace = 6.662657367837145 (0.002339% change) linmin: converged after 3 iterations. iteration 19: trace = 6.662510138456993 (0.00220979% change) large trace change predicted (0.00524066%) linmin: converged after 3 iterations. iteration 20: trace = 6.662160849172216 (0.00524275% change) linmin: converged after 4 iterations. iteration 21: trace = 6.6619742098717 (0.00280152% change) linmin: converged after 4 iterations. iteration 22: trace = 6.661701520712338 (0.0040933% change) linmin: converged after 4 iterations. iteration 23: trace = 6.661499720848783 (0.0030293% change) linmin: converged after 3 iterations. iteration 24: trace = 6.661401436788111 (0.00147542% change) linmin: converged after 3 iterations. iteration 25: trace = 6.661330968882906 (0.00105786% change) linmin: converged after 4 iterations. iteration 26: trace = 6.661273357507079 (0.000864867% change) linmin: converged after 6 iterations. iteration 27: trace = 6.661214838038512 (0.000878507% change) linmin: converged after 4 iterations. iteration 28: trace = 6.661157759357232 (0.000856885% change) linmin: converged after 4 iterations. iteration 29: trace = 6.661112661270185 (0.000677033% change) linmin: converged after 13 iterations. iteration 30: trace = 6.661070300428092 (0.000635944% change) linmin: converged after 5 iterations. iteration 31: trace = 6.661058307974867 (0.000180038% change) linmin: converged after 3 iterations. iteration 32: trace = 6.661042292604195 (0.000240433% change) linmin: converged after 3 iterations. iteration 33: trace = 6.661028283391409 (0.000210316% change) linmin: converged after 3 iterations. iteration 34: trace = 6.661012969908079 (0.000229897% change) linmin: converged after 3 iterations. iteration 35: trace = 6.661000272792445 (0.000190619% change) linmin: converged after 3 iterations. iteration 36: trace = 6.660981057700925 (0.000288472% change) linmin: converged after 3 iterations. iteration 37: trace = 6.660974846350101 (9.32498e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.660970536537528 (6.47025e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 6.660965329883129 (7.81666e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 6.660960399141092 (7.40245e-05% change) linmin: converged after 9 iterations. iteration 41: trace = 6.660955690692173 (7.06873e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.660951410711075 (6.42548e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 6.660948058569119 (5.03253e-05% change) linmin: converged after 7 iterations. iteration 44: trace = 6.660947085941372 (1.46019e-05% change) large trace change predicted (2.98581e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.660945097034071 (2.98592e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.660943821783676 (1.91452e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 6.660942440495745 (2.07371e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.660941469353187 (1.45797e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.660940204101015 (1.89951e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 6.660939460724643 (1.11602e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.66093894801723 (7.69722e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.660938435135448 (7.69984e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.660938003142447 (6.48547e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 6.66093769090408 (4.6876e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.66093725847799 (6.49197e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 6.660937080980935 (2.66475e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 6.660937039755714 (6.1891e-07% change) linmin: converged after 4 iterations. iteration 58: trace = 6.660936992661449 (7.07022e-07% change) linmin: converged after 3 iterations. iteration 59: trace = 6.660936943514294 (7.37841e-07% change) linmin: converged after 8 iterations. iteration 60: trace = 6.660936890542162 (7.95265e-07% change) linmin: converged after 2 iterations. iteration 61: trace = 6.660936833462838 (8.56926e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 6.660936777950853 (8.33396e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 6.660936765941797 (1.80291e-07% change) linmin: converged after 2 iterations. iteration 64: trace = 6.660936755015155 (1.64041e-07% change) linmin: converged after 6 iterations. iteration 65: trace = 6.660936746504003 (1.27777e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.660936740708101 (8.70133e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.660936737168779 (5.31355e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.660936730929 (9.36772e-08% change) linmin: converged after 9 iterations. iteration 69: trace = 6.660936726671792 (6.39131e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.660936725038566 (2.45195e-08% change) linmin: converged after 2 iterations. iteration 71: trace = 6.660936723757438 (1.92334e-08% change) linmin: converged after 6 iterations. iteration 72: trace = 6.660936722379987 (2.06795e-08% change) linmin: converged after 33 iterations. iteration 73: trace = 6.66093672137998 (1.5013e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.660936720551226 (1.2442e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.660936719202968 (2.02413e-08% change) linmin: converged after 4 iterations. iteration 76: trace = 6.660936718301423 (1.35348e-08% change) linmin: converged after 18 iterations. iteration 77: trace = 6.660936717516629 (1.1782e-08% change) linmin: converged after 15 iterations. iteration 78: trace = 6.660936716875789 (9.62086e-09% change) linmin: converged after 25 iterations. iteration 79: trace = 6.660936716382007 (7.4131e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.660936716199179 (2.74479e-09% change) linmin: converged after 4 iterations. iteration 81: trace = 6.660936715851733 (5.21617e-09% change) linmin: converged after 22 iterations. iteration 82: trace = 6.660936715504791 (5.20861e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.660936715305027 (2.99903e-09% change) linmin: converged after 27 iterations. iteration 84: trace = 6.66093671508835 (3.25296e-09% change) linmin: converged after 5 iterations. iteration 85: trace = 6.660936714937364 (2.26674e-09% change) linmin: converged after 9 iterations. iteration 86: trace = 6.660936714833896 (1.55336e-09% change) linmin: converged after 3 iterations. iteration 87: trace = 6.660936714747509 (1.29692e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 6.660936714695935 (7.74273e-10% change) linmin: converged after 6 iterations. iteration 89: trace = 6.660936714617487 (1.17772e-09% change) linmin: converged after 18 iterations. iteration 90: trace = 6.66093671457714 (6.0573e-10% change) linmin: converged after 7 iterations. iteration 91: trace = 6.660936714542649 (5.17818e-10% change) linmin: converged after 19 iterations. iteration 92: trace = 6.66093671452329 (2.90631e-10% change) linmin: converged after 6 iterations. iteration 93: trace = 6.660936714512652 (1.59703e-10% change) linmin: converged after 23 iterations. iteration 94: trace = 6.660936714494253 (2.7623e-10% change) linmin: converged after 4 iterations. iteration 95: trace = 6.660936714476417 (2.67763e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.660936714462952 (2.02146e-10% change) linmin: converged after 6 iterations. iteration 97: trace = 6.660936714455913 (1.05686e-10% change) linmin: converged after 3 iterations. iteration 98: trace = 6.660936714447594 (1.24888e-10% change) linmin: converged after 4 iterations. iteration 99: trace = 6.660936714441473 (9.18989e-11% change) Finished solving for bands 1 to 8 after 99 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 elapsed time for k point: 0.6000425815582275 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.828693365824004 (0.258209% change) linmin: converged after 4 iterations. iteration 2: trace = 6.81491531333085 (0.201971% change) linmin: converged after 4 iterations. iteration 3: trace = 6.803492943791591 (0.167749% change) linmin: converged after 4 iterations. iteration 4: trace = 6.798487715310334 (0.0735956% change) linmin: converged after 4 iterations. iteration 5: trace = 6.793362049054725 (0.0754226% change) linmin: converged after 4 iterations. iteration 6: trace = 6.785739546110888 (0.112268% change) linmin: converged after 4 iterations. iteration 7: trace = 6.782649098280649 (0.0455536% change) large trace change predicted (0.100602%) linmin: converged after 4 iterations. iteration 8: trace = 6.775937084960444 (0.0990076% change) linmin: converged after 4 iterations. iteration 9: trace = 6.767502319495193 (0.124559% change) linmin: converged after 5 iterations. iteration 10: trace = 6.763226777760307 (0.0631975% change) linmin: converged after 4 iterations. iteration 11: trace = 6.757059804096025 (0.0912255% change) linmin: converged after 3 iterations. iteration 12: trace = 6.751376539552863 (0.0841439% change) linmin: converged after 3 iterations. iteration 13: trace = 6.749201093205061 (0.0322275% change) large trace change predicted (0.0987653%) linmin: converged after 4 iterations. iteration 14: trace = 6.742591395271164 (0.097981% change) linmin: converged after 3 iterations. iteration 15: trace = 6.740640520736622 (0.0289378% change) linmin: converged after 4 iterations. iteration 16: trace = 6.737712722144593 (0.0434445% change) linmin: converged after 4 iterations. iteration 17: trace = 6.73452098326382 (0.0473825% change) linmin: converged after 4 iterations. iteration 18: trace = 6.732582978654195 (0.0287813% change) linmin: converged after 4 iterations. iteration 19: trace = 6.729242279218445 (0.0496322% change) linmin: converged after 4 iterations. iteration 20: trace = 6.728109380356157 (0.0168369% change) linmin: converged after 3 iterations. iteration 21: trace = 6.726644100330462 (0.0217809% change) linmin: converged after 4 iterations. iteration 22: trace = 6.725872586664417 (0.0114702% change) linmin: converged after 3 iterations. iteration 23: trace = 6.725359747865309 (0.00762516% change) linmin: converged after 21 iterations. iteration 24: trace = 6.724756270469366 (0.00897356% change) linmin: converged after 4 iterations. iteration 25: trace = 6.724231366871892 (0.00780585% change) linmin: converged after 4 iterations. iteration 26: trace = 6.723530396492713 (0.0104251% change) linmin: converged after 4 iterations. iteration 27: trace = 6.723053589910712 (0.00709186% change) linmin: converged after 4 iterations. iteration 28: trace = 6.722658831569981 (0.00587188% change) linmin: converged after 5 iterations. iteration 29: trace = 6.722318025801377 (0.00506964% change) linmin: converged after 3 iterations. iteration 30: trace = 6.722110957479178 (0.00308036% change) linmin: converged after 3 iterations. iteration 31: trace = 6.721805734272037 (0.00454069% change) linmin: converged after 3 iterations. iteration 32: trace = 6.721654561005488 (0.00224902% change) linmin: converged after 3 iterations. iteration 33: trace = 6.721517311503868 (0.00204192% change) linmin: converged after 3 iterations. iteration 34: trace = 6.721358449047066 (0.00236352% change) linmin: converged after 3 iterations. iteration 35: trace = 6.721272068097353 (0.00128518% change) linmin: converged after 3 iterations. iteration 36: trace = 6.721179708634331 (0.00137415% change) linmin: converged after 6 iterations. iteration 37: trace = 6.721123311312419 (0.000839102% change) linmin: converged after 5 iterations. iteration 38: trace = 6.721064014980577 (0.000882242% change) linmin: converged after 3 iterations. iteration 39: trace = 6.720970932018229 (0.00138495% change) linmin: converged after 6 iterations. iteration 40: trace = 6.720931124316433 (0.000592293% change) large trace change predicted (0.00161295%) linmin: converged after 3 iterations. iteration 41: trace = 6.720822629671658 (0.00161429% change) linmin: converged after 4 iterations. iteration 42: trace = 6.72079846265409 (0.000359585% change) large trace change predicted (0.00072696%) linmin: converged after 5 iterations. iteration 43: trace = 6.720749736141956 (0.000725013% change) linmin: converged after 6 iterations. iteration 44: trace = 6.72072260233406 (0.000403733% change) linmin: converged after 9 iterations. iteration 45: trace = 6.72070519794796 (0.000258966% change) large trace change predicted (0.000642169%) linmin: converged after 6 iterations. iteration 46: trace = 6.720662129158626 (0.000640839% change) linmin: converged after 3 iterations. iteration 47: trace = 6.720647159202968 (0.000222745% change) linmin: converged after 4 iterations. iteration 48: trace = 6.720620434442544 (0.000397652% change) linmin: converged after 4 iterations. iteration 49: trace = 6.720599312394453 (0.000314288% change) linmin: converged after 3 iterations. iteration 50: trace = 6.720588138740021 (0.00016626% change) linmin: converged after 3 iterations. iteration 51: trace = 6.720572437757358 (0.000233625% change) linmin: converged after 3 iterations. iteration 52: trace = 6.720560502977415 (0.000177586% change) linmin: converged after 5 iterations. iteration 53: trace = 6.720550779021665 (0.00014469% change) linmin: converged after 3 iterations. iteration 54: trace = 6.72054201605287 (0.000130391% change) linmin: converged after 5 iterations. iteration 55: trace = 6.720538072124155 (5.86847e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.720533815636847 (6.33355e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.720531117060512 (4.01542e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 6.720527587293265 (5.25222e-05% change) linmin: converged after 4 iterations. iteration 59: trace = 6.720523743289104 (5.7198e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.720520452342011 (4.89686e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 6.720515636146466 (7.16641e-05% change) linmin: converged after 11 iterations. iteration 62: trace = 6.720513695801111 (2.8872e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.720511339817818 (3.50566e-05% change) linmin: converged after 2 iterations. iteration 64: trace = 6.720510233758202 (1.6458e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.7205095257317 (1.05353e-05% change) linmin: converged after 2 iterations. iteration 66: trace = 6.720508403500634 (1.66986e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.720507795705634 (9.04388e-06% change) large trace change predicted (2.55121e-05%) linmin: converged after 4 iterations. iteration 68: trace = 6.720506081209342 (2.55114e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 6.720505166233876 (1.36147e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.720504632564524 (7.94091e-06% change) linmin: converged after 3 iterations. iteration 71: trace = 6.720503757921638 (1.30145e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.720503155132286 (8.96941e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.720502825006813 (4.91221e-06% change) linmin: converged after 3 iterations. iteration 74: trace = 6.720502267138848 (8.30099e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.72050161821459 (9.65589e-06% change) linmin: converged after 3 iterations. iteration 76: trace = 6.720501329636397 (4.294e-06% change) linmin: converged after 3 iterations. iteration 77: trace = 6.720500923073919 (6.04959e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.7205004497822 (7.04251e-06% change) linmin: converged after 3 iterations. iteration 79: trace = 6.720500091190194 (5.33579e-06% change) linmin: converged after 3 iterations. iteration 80: trace = 6.720499710770521 (5.66059e-06% change) linmin: converged after 7 iterations. iteration 81: trace = 6.720499408715081 (4.49454e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 6.720499351491902 (8.51472e-07% change) linmin: converged after 7 iterations. iteration 83: trace = 6.720499245520994 (1.57683e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 6.720499132663288 (1.67931e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 6.720498947976651 (2.74811e-06% change) linmin: converged after 8 iterations. iteration 86: trace = 6.720498868915341 (1.17642e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.720498762222831 (1.58757e-06% change) linmin: converged after 2 iterations. iteration 88: trace = 6.720498674231538 (1.3093e-06% change) linmin: converged after 5 iterations. iteration 89: trace = 6.720498653875839 (3.0289e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.720498625620474 (4.20436e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.720498602840975 (3.38955e-07% change) linmin: converged after 18 iterations. iteration 92: trace = 6.720498591264342 (1.72259e-07% change) large trace change predicted (4.49888e-07%) linmin: converged after 4 iterations. iteration 93: trace = 6.720498561030472 (4.49875e-07% change) linmin: converged after 3 iterations. iteration 94: trace = 6.720498532165731 (4.29503e-07% change) linmin: converged after 3 iterations. iteration 95: trace = 6.720498516270226 (2.36523e-07% change) linmin: converged after 4 iterations. iteration 96: trace = 6.720498508965846 (1.08688e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.720498499076913 (1.47146e-07% change) linmin: converged after 19 iterations. iteration 98: trace = 6.720498492691434 (9.5015e-08% change) linmin: converged after 7 iterations. iteration 99: trace = 6.720498490784987 (2.83676e-08% change) large trace change predicted (6.5941e-08%) linmin: converged after 10 iterations. iteration 100: trace = 6.720498486353334 (6.59423e-08% change) linmin: converged after 4 iterations. iteration 101: trace = 6.720498482665715 (5.48712e-08% change) linmin: converged after 12 iterations. iteration 102: trace = 6.720498480517313 (3.19679e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 6.720498478115991 (3.57313e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.720498474287696 (5.69645e-08% change) linmin: converged after 29 iterations. iteration 105: trace = 6.720498473541149 (1.11085e-08% change) large trace change predicted (2.47838e-08%) linmin: converged after 4 iterations. iteration 106: trace = 6.720498471875564 (2.47837e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.720498471055208 (1.22068e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 6.720498470350883 (1.04803e-08% change) linmin: converged after 4 iterations. iteration 109: trace = 6.720498469397505 (1.41861e-08% change) linmin: converged after 5 iterations. iteration 110: trace = 6.720498468545252 (1.26814e-08% change) linmin: converged after 31 iterations. iteration 111: trace = 6.720498468272286 (4.0617e-09% change) large trace change predicted (9.26929e-09%) linmin: converged after 5 iterations. iteration 112: trace = 6.720498467649367 (9.26893e-09% change) linmin: converged after 4 iterations. iteration 113: trace = 6.720498466966988 (1.01537e-08% change) linmin: converged after 10 iterations. iteration 114: trace = 6.720498466587099 (5.65269e-09% change) linmin: converged after 8 iterations. iteration 115: trace = 6.720498466423583 (2.4331e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 6.72049846625117 (2.56547e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 6.720498466094205 (2.33562e-09% change) linmin: converged after 30 iterations. iteration 118: trace = 6.720498466028793 (9.73316e-10% change) large trace change predicted (2.31059e-09%) linmin: converged after 4 iterations. iteration 119: trace = 6.720498465873534 (2.31024e-09% change) linmin: converged after 10 iterations. iteration 120: trace = 6.720498465800697 (1.0838e-09% change) linmin: converged after 4 iterations. iteration 121: trace = 6.720498465753364 (7.04305e-10% change) linmin: converged after 18 iterations. iteration 122: trace = 6.720498465699117 (8.07191e-10% change) linmin: converged after 6 iterations. iteration 123: trace = 6.720498465620707 (1.16672e-09% change) linmin: converged after 4 iterations. iteration 124: trace = 6.720498465592529 (4.1929e-10% change) linmin: converged after 4 iterations. iteration 125: trace = 6.72049846557295 (2.91333e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.720498465558395 (2.16583e-10% change) linmin: converged after 12 iterations. iteration 127: trace = 6.720498465555194 (4.76303e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 elapsed time for k point: 0.7704823017120361 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.805955352031835 (0.370679% change) linmin: converged after 5 iterations. iteration 2: trace = 6.786471645847239 (0.286685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.766412309853988 (0.296016% change) linmin: converged after 5 iterations. iteration 4: trace = 6.762821497824874 (0.0530823% change) large trace change predicted (0.161507%) linmin: converged after 4 iterations. iteration 5: trace = 6.75155062614866 (0.166798% change) linmin: converged after 4 iterations. iteration 6: trace = 6.745349182879033 (0.0918943% change) linmin: converged after 4 iterations. iteration 7: trace = 6.741351558095389 (0.0592825% change) linmin: converged after 3 iterations. iteration 8: trace = 6.737815057785499 (0.0524736% change) linmin: converged after 4 iterations. iteration 9: trace = 6.736500260020686 (0.0195156% change) large trace change predicted (0.0500717%) linmin: converged after 3 iterations. iteration 10: trace = 6.733113218000609 (0.0502916% change) linmin: converged after 3 iterations. iteration 11: trace = 6.731523332423912 (0.0236157% change) linmin: converged after 3 iterations. iteration 12: trace = 6.729172145607876 (0.0349341% change) linmin: converged after 4 iterations. iteration 13: trace = 6.726626433151624 (0.0378381% change) linmin: converged after 4 iterations. iteration 14: trace = 6.725266955478946 (0.0202124% change) linmin: converged after 4 iterations. iteration 15: trace = 6.722631950808276 (0.0391883% change) linmin: converged after 4 iterations. iteration 16: trace = 6.721297259955682 (0.0198557% change) linmin: converged after 3 iterations. iteration 17: trace = 6.71879867059258 (0.0371811% change) linmin: converged after 4 iterations. iteration 18: trace = 6.717806207398143 (0.0147725% change) linmin: converged after 3 iterations. iteration 19: trace = 6.716974623076929 (0.0123796% change) linmin: converged after 3 iterations. iteration 20: trace = 6.71637301711614 (0.0089569% change) linmin: converged after 4 iterations. iteration 21: trace = 6.716154275586822 (0.00325689% change) large trace change predicted (0.0101656%) linmin: converged after 4 iterations. iteration 22: trace = 6.715471626096691 (0.0101648% change) linmin: converged after 4 iterations. iteration 23: trace = 6.71518347118853 (0.004291% change) large trace change predicted (0.0113969%) linmin: converged after 3 iterations. iteration 24: trace = 6.714417828794597 (0.0114023% change) linmin: converged after 3 iterations. iteration 25: trace = 6.714023678705928 (0.00587038% change) linmin: converged after 4 iterations. iteration 26: trace = 6.713806562251935 (0.00323383% change) linmin: converged after 4 iterations. iteration 27: trace = 6.713579668693027 (0.00337956% change) linmin: converged after 4 iterations. iteration 28: trace = 6.713511728607021 (0.00101199% change) large trace change predicted (0.0020878%) linmin: converged after 3 iterations. iteration 29: trace = 6.713371328352466 (0.00209133% change) linmin: converged after 3 iterations. iteration 30: trace = 6.713315046237599 (0.000838362% change) large trace change predicted (0.00185104%) linmin: converged after 4 iterations. iteration 31: trace = 6.713190941339971 (0.00184866% change) linmin: converged after 3 iterations. iteration 32: trace = 6.713118652377476 (0.00107683% change) linmin: converged after 4 iterations. iteration 33: trace = 6.713048703061627 (0.00104198% change) linmin: converged after 5 iterations. iteration 34: trace = 6.712960185520178 (0.0013186% change) linmin: converged after 3 iterations. iteration 35: trace = 6.712939421020381 (0.00030932% change) large trace change predicted (0.000713841%) linmin: converged after 3 iterations. iteration 36: trace = 6.712891502026764 (0.000713833% change) linmin: converged after 4 iterations. iteration 37: trace = 6.71288379616655 (0.000114792% change) large trace change predicted (0.000489822%) linmin: converged after 3 iterations. iteration 38: trace = 6.712850923731485 (0.000489693% change) linmin: converged after 6 iterations. iteration 39: trace = 6.712831944322497 (0.000282733% change) linmin: converged after 3 iterations. iteration 40: trace = 6.712819122549863 (0.000191004% change) linmin: converged after 4 iterations. iteration 41: trace = 6.712799137569486 (0.000297714% change) linmin: converged after 3 iterations. iteration 42: trace = 6.712794544864233 (6.84172e-05% change) large trace change predicted (0.000162524%) linmin: converged after 5 iterations. iteration 43: trace = 6.712783638493903 (0.000162472% change) linmin: converged after 11 iterations. iteration 44: trace = 6.712781295169769 (3.49084e-05% change) large trace change predicted (8.74419e-05%) linmin: converged after 4 iterations. iteration 45: trace = 6.712775425436074 (8.74412e-05% change) linmin: converged after 9 iterations. iteration 46: trace = 6.712773786932622 (2.44087e-05% change) large trace change predicted (5.15217e-05%) linmin: converged after 3 iterations. iteration 47: trace = 6.712770326994617 (5.15426e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.712767502420244 (4.20776e-05% change) linmin: converged after 8 iterations. iteration 49: trace = 6.712766705641736 (1.18696e-05% change) large trace change predicted (4.49226e-05%) linmin: converged after 3 iterations. iteration 50: trace = 6.712763689647757 (4.49292e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.712763102132034 (8.75222e-06% change) large trace change predicted (2.71658e-05%) linmin: converged after 2 iterations. iteration 52: trace = 6.71276127854624 (2.7166e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.712760419286989 (1.28004e-05% change) linmin: converged after 7 iterations. iteration 54: trace = 6.712759718356282 (1.04418e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.71275902216277 (1.03712e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.71275884752382 (2.6016e-06% change) large trace change predicted (8.44755e-06%) linmin: converged after 4 iterations. iteration 57: trace = 6.712758280566021 (8.44597e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.712758165037714 (1.72103e-06% change) large trace change predicted (5.84499e-06%) linmin: converged after 6 iterations. iteration 59: trace = 6.712757772742973 (5.84402e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.712757572256018 (2.98666e-06% change) linmin: converged after 3 iterations. iteration 61: trace = 6.712757429161202 (2.13168e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.712757251596218 (2.64519e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 6.712757218513527 (4.92833e-07% change) large trace change predicted (1.75918e-06%) linmin: converged after 4 iterations. iteration 64: trace = 6.712757100419477 (1.75925e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.712757077191751 (3.46024e-07% change) large trace change predicted (7.74689e-07%) linmin: converged after 7 iterations. iteration 66: trace = 6.712757025187551 (7.74707e-07% change) linmin: converged after 6 iterations. iteration 67: trace = 6.712756982435169 (6.36883e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.712756959206528 (3.46037e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.712756912967455 (6.88824e-07% change) resetting CG direction... linmin: converged after 24 iterations. iteration 70: trace = 6.712756900835401 (1.80731e-07% change) linmin: converged after 3 iterations. iteration 71: trace = 6.712756887602744 (1.97127e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.712756883382651 (6.28668e-08% change) large trace change predicted (1.50453e-07%) linmin: converged after 3 iterations. iteration 73: trace = 6.712756873283277 (1.5045e-07% change) linmin: converged after 4 iterations. iteration 74: trace = 6.712756865378772 (1.17753e-07% change) linmin: converged after 21 iterations. iteration 75: trace = 6.712756859672806 (8.50018e-08% change) large trace change predicted (2.04409e-07%) linmin: converged after 6 iterations. iteration 76: trace = 6.712756845951316 (2.04409e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 6.712756843609621 (3.48842e-08% change) large trace change predicted (1.27223e-07%) linmin: converged after 4 iterations. iteration 78: trace = 6.71275683506934 (1.27225e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 6.712756830475133 (6.84399e-08% change) linmin: converged after 6 iterations. iteration 80: trace = 6.712756828633527 (2.74344e-08% change) large trace change predicted (5.49577e-08%) linmin: converged after 4 iterations. iteration 81: trace = 6.712756824944322 (5.49581e-08% change) linmin: converged after 4 iterations. iteration 82: trace = 6.712756821598436 (4.98437e-08% change) linmin: converged after 17 iterations. iteration 83: trace = 6.712756819482644 (3.1519e-08% change) linmin: converged after 10 iterations. iteration 84: trace = 6.712756817407787 (3.09092e-08% change) linmin: converged after 5 iterations. iteration 85: trace = 6.712756816739338 (9.95788e-09% change) large trace change predicted (2.35922e-08%) linmin: converged after 3 iterations. iteration 86: trace = 6.712756815155657 (2.35921e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 6.712756814927111 (3.40465e-09% change) large trace change predicted (1.14616e-08%) linmin: converged after 18 iterations. iteration 88: trace = 6.712756814157732 (1.14614e-08% change) linmin: converged after 17 iterations. iteration 89: trace = 6.712756813635045 (7.78647e-09% change) linmin: converged after 14 iterations. iteration 90: trace = 6.71275681341351 (3.30022e-09% change) large trace change predicted (7.75074e-09%) linmin: converged after 25 iterations. iteration 91: trace = 6.712756812893209 (7.75092e-09% change) linmin: converged after 9 iterations. iteration 92: trace = 6.712756812760745 (1.97333e-09% change) large trace change predicted (5.88918e-09%) linmin: converged after 13 iterations. iteration 93: trace = 6.712756812365424 (5.8891e-09% change) linmin: converged after 3 iterations. iteration 94: trace = 6.712756812003807 (5.387e-09% change) linmin: converged after 7 iterations. iteration 95: trace = 6.712756811899509 (1.55373e-09% change) large trace change predicted (3.84346e-09%) linmin: converged after 11 iterations. iteration 96: trace = 6.712756811641516 (3.84332e-09% change) linmin: converged after 2 iterations. iteration 97: trace = 6.712756811536827 (1.55956e-09% change) linmin: converged after 4 iterations. iteration 98: trace = 6.712756811500308 (5.44014e-10% change) large trace change predicted (1.79942e-09%) linmin: converged after 7 iterations. iteration 99: trace = 6.712756811379516 (1.79944e-09% change) linmin: converged after 2 iterations. iteration 100: trace = 6.712756811259492 (1.788e-09% change) linmin: converged after 4 iterations. iteration 101: trace = 6.712756811223127 (5.41738e-10% change) linmin: converged after 10 iterations. iteration 102: trace = 6.712756811167312 (8.31475e-10% change) linmin: converged after 7 iterations. iteration 103: trace = 6.712756811117374 (7.43924e-10% change) linmin: converged after 2 iterations. iteration 104: trace = 6.712756811108303 (1.3513e-10% change) large trace change predicted (4.49877e-10%) linmin: converged after 4 iterations. iteration 105: trace = 6.712756811078102 (4.49901e-10% change) linmin: converged after 2 iterations. iteration 106: trace = 6.712756811070889 (1.07451e-10% change) large trace change predicted (2.43029e-10%) linmin: converged after 19 iterations. iteration 107: trace = 6.712756811054567 (2.4315e-10% change) linmin: converged after 9 iterations. iteration 108: trace = 6.71275681103773 (2.50824e-10% change) linmin: converged after 4 iterations. iteration 109: trace = 6.712756811022556 (2.26042e-10% change) linmin: converged after 4 iterations. iteration 110: trace = 6.712756811015986 (9.78844e-11% change) Finished solving for bands 1 to 8 after 110 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 elapsed time for k point: 0.67189621925354 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.804447595323905 (0.075091% change) large trace change predicted (0.247841%) linmin: converged after 3 iterations. iteration 2: trace = 6.787509709560569 (0.249234% change) linmin: converged after 12 iterations. iteration 3: trace = 6.78416600758117 (0.0492747% change) large trace change predicted (0.154108%) linmin: converged after 4 iterations. iteration 4: trace = 6.773847328685956 (0.152215% change) linmin: converged after 4 iterations. iteration 5: trace = 6.77251991858013 (0.019598% change) large trace change predicted (0.0906904%) linmin: converged after 4 iterations. iteration 6: trace = 6.7662211737164 (0.0930477% change) linmin: converged after 3 iterations. iteration 7: trace = 6.765489412066492 (0.0108155% change) large trace change predicted (0.0789839%) linmin: converged after 4 iterations. iteration 8: trace = 6.759960406114532 (0.0817571% change) linmin: converged after 3 iterations. iteration 9: trace = 6.759700044533112 (0.0038516% change) large trace change predicted (0.0309309%) linmin: converged after 3 iterations. iteration 10: trace = 6.757604007969362 (0.0310126% change) linmin: converged after 3 iterations. iteration 11: trace = 6.757369187106947 (0.00347497% change) large trace change predicted (0.0247096%) linmin: converged after 5 iterations. iteration 12: trace = 6.755700380516066 (0.0246991% change) linmin: converged after 4 iterations. iteration 13: trace = 6.755504919641139 (0.00289332% change) large trace change predicted (0.012852%) linmin: converged after 4 iterations. iteration 14: trace = 6.754652206748955 (0.0126233% change) linmin: converged after 4 iterations. iteration 15: trace = 6.754115945082325 (0.00793946% change) linmin: converged after 4 iterations. iteration 16: trace = 6.753542779465762 (0.00848653% change) large trace change predicted (0.0199723%) linmin: converged after 3 iterations. iteration 17: trace = 6.752183335844688 (0.0201314% change) linmin: converged after 4 iterations. iteration 18: trace = 6.752084991574542 (0.00145649% change) large trace change predicted (0.0158811%) linmin: converged after 4 iterations. iteration 19: trace = 6.751015956392777 (0.0158339% change) linmin: converged after 4 iterations. iteration 20: trace = 6.750877686058918 (0.00204816% change) large trace change predicted (0.0154243%) linmin: converged after 3 iterations. iteration 21: trace = 6.749833216418178 (0.0154728% change) linmin: converged after 4 iterations. iteration 22: trace = 6.749728282010169 (0.00155463% change) large trace change predicted (0.0115024%) linmin: converged after 4 iterations. iteration 23: trace = 6.748952036441013 (0.0115011% change) linmin: converged after 4 iterations. iteration 24: trace = 6.748764551424209 (0.00277803% change) linmin: converged after 3 iterations. iteration 25: trace = 6.748476017419485 (0.00427545% change) linmin: converged after 4 iterations. iteration 26: trace = 6.748262776589692 (0.00315989% change) linmin: converged after 3 iterations. iteration 27: trace = 6.748165146398375 (0.00144676% change) large trace change predicted (0.00385788%) linmin: converged after 4 iterations. iteration 28: trace = 6.747905822884305 (0.00384295% change) linmin: converged after 3 iterations. iteration 29: trace = 6.747846612381974 (0.000877469% change) large trace change predicted (0.00317745%) linmin: converged after 4 iterations. iteration 30: trace = 6.747632836969705 (0.0031681% change) linmin: converged after 4 iterations. iteration 31: trace = 6.747606394525548 (0.000391878% change) large trace change predicted (0.00306597%) linmin: converged after 4 iterations. iteration 32: trace = 6.747399953171819 (0.00305952% change) linmin: converged after 4 iterations. iteration 33: trace = 6.747387722078511 (0.000181271% change) large trace change predicted (0.00242336%) linmin: converged after 4 iterations. iteration 34: trace = 6.747225018833506 (0.00241138% change) linmin: converged after 3 iterations. iteration 35: trace = 6.747193960227815 (0.000460318% change) large trace change predicted (0.00107856%) linmin: converged after 4 iterations. iteration 36: trace = 6.747121438334209 (0.00107485% change) linmin: converged after 3 iterations. iteration 37: trace = 6.7470997718898 (0.000321122% change) large trace change predicted (0.000751257%) linmin: converged after 4 iterations. iteration 38: trace = 6.747049150715911 (0.000750268% change) linmin: converged after 3 iterations. iteration 39: trace = 6.747008136779598 (0.000607881% change) linmin: converged after 4 iterations. iteration 40: trace = 6.746998870293799 (0.000137342% change) large trace change predicted (0.000631497%) linmin: converged after 3 iterations. iteration 41: trace = 6.746956262489844 (0.000631509% change) linmin: converged after 6 iterations. iteration 42: trace = 6.746953504893698 (4.08717e-05% change) large trace change predicted (0.000481256%) linmin: converged after 3 iterations. iteration 43: trace = 6.746921047716273 (0.000481065% change) linmin: converged after 4 iterations. iteration 44: trace = 6.746917366333847 (5.45639e-05% change) large trace change predicted (0.0002699%) linmin: converged after 5 iterations. iteration 45: trace = 6.746899160425827 (0.000269841% change) linmin: converged after 4 iterations. iteration 46: trace = 6.746895008381835 (6.15401e-05% change) large trace change predicted (0.00019307%) linmin: converged after 3 iterations. iteration 47: trace = 6.746881974266559 (0.000193187% change) linmin: converged after 4 iterations. iteration 48: trace = 6.746874481438184 (0.000111056% change) linmin: converged after 3 iterations. iteration 49: trace = 6.746868146557246 (9.38936e-05% change) linmin: converged after 4 iterations. iteration 50: trace = 6.746857504420103 (0.000157735% change) linmin: converged after 3 iterations. iteration 51: trace = 6.746855516675071 (2.94618e-05% change) large trace change predicted (0.000214718%) linmin: converged after 6 iterations. iteration 52: trace = 6.746841037554336 (0.000214606% change) linmin: converged after 4 iterations. iteration 53: trace = 6.746840193062241 (1.25169e-05% change) large trace change predicted (9.3173e-05%) linmin: converged after 3 iterations. iteration 54: trace = 6.746833909627384 (9.31316e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.746833185015451 (1.074e-05% change) large trace change predicted (5.96415e-05%) linmin: converged after 3 iterations. iteration 56: trace = 6.746829162576902 (5.96197e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.746828725834517 (6.4733e-06% change) large trace change predicted (2.46714e-05%) linmin: converged after 5 iterations. iteration 58: trace = 6.74682706211512 (2.46593e-05% change) linmin: converged after 5 iterations. iteration 59: trace = 6.746825889499674 (1.73803e-05% change) linmin: converged after 4 iterations. iteration 60: trace = 6.746825452545512 (6.47644e-06% change) large trace change predicted (2.95798e-05%) linmin: converged after 3 iterations. iteration 61: trace = 6.746823456681524 (2.95823e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 6.746823127211622 (4.88333e-06% change) large trace change predicted (2.68474e-05%) linmin: converged after 5 iterations. iteration 63: trace = 6.746821315951441 (2.68461e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 6.74682118432021 (1.95101e-06% change) large trace change predicted (1.52566e-05%) linmin: converged after 4 iterations. iteration 65: trace = 6.746820154908292 (1.52577e-05% change) linmin: converged after 7 iterations. iteration 66: trace = 6.746820081622887 (1.08622e-06% change) large trace change predicted (7.08718e-06%) linmin: converged after 3 iterations. iteration 67: trace = 6.746819603431781 (7.08765e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 6.746819452732547 (2.23363e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 6.74681925723311 (2.89765e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.746819149107638 (1.60261e-06% change) linmin: converged after 3 iterations. iteration 71: trace = 6.746819008753461 (2.0803e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 6.746818910253522 (1.45995e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.746818745187227 (2.44658e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.746818616830524 (1.90248e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.746818399211371 (3.22551e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 6.74681828538086 (1.68717e-06% change) linmin: converged after 2 iterations. iteration 77: trace = 6.746818109865201 (2.60146e-06% change) linmin: converged after 20 iterations. iteration 78: trace = 6.746818071152347 (5.73794e-07% change) large trace change predicted (1.5422e-06%) linmin: converged after 4 iterations. iteration 79: trace = 6.746817967105337 (1.54216e-06% change) linmin: converged after 8 iterations. iteration 80: trace = 6.746817914381793 (7.81458e-07% change) linmin: converged after 9 iterations. iteration 81: trace = 6.746817907083527 (1.08173e-07% change) large trace change predicted (1.24553e-06%) linmin: converged after 2 iterations. iteration 82: trace = 6.74681782304615 (1.24559e-06% change) linmin: converged after 13 iterations. iteration 83: trace = 6.74681781661431 (9.53314e-08% change) large trace change predicted (1.0668e-06%) linmin: converged after 8 iterations. iteration 84: trace = 6.746817744641013 (1.06677e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.746817736393177 (1.22248e-07% change) large trace change predicted (5.15241e-07%) linmin: converged after 3 iterations. iteration 86: trace = 6.746817701631278 (5.15234e-07% change) linmin: converged after 5 iterations. iteration 87: trace = 6.746817697536646 (6.06898e-08% change) large trace change predicted (2.33444e-07%) linmin: converged after 4 iterations. iteration 88: trace = 6.746817681786828 (2.33441e-07% change) linmin: converged after 5 iterations. iteration 89: trace = 6.746817679575117 (3.27815e-08% change) large trace change predicted (2.03086e-07%) linmin: converged after 3 iterations. iteration 90: trace = 6.746817665873402 (2.03084e-07% change) linmin: converged after 21 iterations. iteration 91: trace = 6.746817664988518 (1.31156e-08% change) large trace change predicted (1.38685e-07%) linmin: converged after 7 iterations. iteration 92: trace = 6.746817655631772 (1.38684e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 6.746817654085186 (2.29232e-08% change) large trace change predicted (1.18599e-07%) linmin: converged after 8 iterations. iteration 94: trace = 6.746817646083493 (1.186e-07% change) linmin: converged after 13 iterations. iteration 95: trace = 6.746817640462645 (8.33111e-08% change) linmin: converged after 7 iterations. iteration 96: trace = 6.746817637625213 (4.20559e-08% change) linmin: converged after 4 iterations. iteration 97: trace = 6.74681763331078 (6.39477e-08% change) linmin: converged after 5 iterations. iteration 98: trace = 6.746817629968001 (4.9546e-08% change) linmin: converged after 11 iterations. iteration 99: trace = 6.7468176261558 (5.65037e-08% change) linmin: converged after 7 iterations. iteration 100: trace = 6.746817625992414 (2.42167e-09% change) large trace change predicted (2.59342e-08%) linmin: converged after 11 iterations. iteration 101: trace = 6.746817624242672 (2.59343e-08% change) linmin: converged after 20 iterations. iteration 102: trace = 6.746817624100168 (2.11216e-09% change) large trace change predicted (1.59034e-08%) linmin: converged after 4 iterations. iteration 103: trace = 6.746817623027193 (1.59034e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.74681762290797 (1.7671e-09% change) large trace change predicted (1.6433e-08%) linmin: converged after 19 iterations. iteration 105: trace = 6.746817621799271 (1.64329e-08% change) linmin: converged after 33 iterations. iteration 106: trace = 6.74681762171291 (1.28003e-09% change) large trace change predicted (1.75521e-08%) linmin: converged after 4 iterations. iteration 107: trace = 6.746817620528712 (1.75519e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.74681762045374 (1.11122e-09% change) large trace change predicted (1.18806e-08%) linmin: converged after 22 iterations. iteration 109: trace = 6.746817619652177 (1.18806e-08% change) linmin: converged after 6 iterations. iteration 110: trace = 6.746817619405686 (3.65344e-09% change) linmin: converged after 3 iterations. iteration 111: trace = 6.746817619222378 (2.71695e-09% change) linmin: converged after 22 iterations. iteration 112: trace = 6.746817619074591 (2.19048e-09% change) linmin: converged after 2 iterations. iteration 113: trace = 6.746817619026851 (7.07587e-10% change) large trace change predicted (3.27373e-09%) linmin: converged after 4 iterations. iteration 114: trace = 6.746817618805972 (3.27383e-09% change) linmin: converged after 4 iterations. iteration 115: trace = 6.746817618788889 (2.53204e-10% change) large trace change predicted (2.65445e-09%) linmin: converged after 4 iterations. iteration 116: trace = 6.746817618609805 (2.65434e-09% change) linmin: converged after 18 iterations. iteration 117: trace = 6.746817618591581 (2.7012e-10% change) large trace change predicted (1.0326e-09%) linmin: converged after 12 iterations. iteration 118: trace = 6.746817618521913 (1.0326e-09% change) linmin: converged after 10 iterations. iteration 119: trace = 6.746817618511382 (1.5609e-10% change) large trace change predicted (1.35052e-09%) linmin: converged after 2 iterations. iteration 120: trace = 6.746817618420272 (1.3504e-09% change) linmin: converged after 18 iterations. iteration 121: trace = 6.746817618406766 (2.00191e-10% change) large trace change predicted (1.7203e-09%) linmin: converged after 10 iterations. iteration 122: trace = 6.746817618290709 (1.72017e-09% change) linmin: converged after 11 iterations. iteration 123: trace = 6.746817618281478 (1.36831e-10% change) large trace change predicted (1.19037e-09%) linmin: converged after 4 iterations. iteration 124: trace = 6.74681761820117 (1.1903e-09% change) linmin: converged after 16 iterations. iteration 125: trace = 6.746817618186881 (2.11789e-10% change) linmin: converged after 15 iterations. iteration 126: trace = 6.74681761816829 (2.75557e-10% change) linmin: converged after 11 iterations. iteration 127: trace = 6.746817618151576 (2.47728e-10% change) linmin: converged after 6 iterations. iteration 128: trace = 6.746817618140278 (1.67464e-10% change) linmin: converged after 13 iterations. iteration 129: trace = 6.746817618132886 (1.09554e-10% change) linmin: converged after 3 iterations. iteration 130: trace = 6.746817618121986 (1.61567e-10% change) linmin: converged after 2 iterations. iteration 131: trace = 6.746817618106294 (2.32576e-10% change) linmin: converged after 5 iterations. iteration 132: trace = 6.746817618105011 (1.90226e-11% change) Finished solving for bands 1 to 8 after 132 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 elapsed time for k point: 0.8033432960510254 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925814500596418 (0.213094% change) linmin: converged after 5 iterations. iteration 2: trace = 6.912656408360107 (0.190167% change) linmin: converged after 3 iterations. iteration 3: trace = 6.904258247585227 (0.121563% change) linmin: converged after 5 iterations. iteration 4: trace = 6.896682475678196 (0.109786% change) linmin: converged after 3 iterations. iteration 5: trace = 6.893477598605052 (0.0464806% change) linmin: converged after 4 iterations. iteration 6: trace = 6.89027467957257 (0.0464738% change) linmin: converged after 4 iterations. iteration 7: trace = 6.887461836997099 (0.0408317% change) linmin: converged after 4 iterations. iteration 8: trace = 6.882497275426465 (0.0721071% change) linmin: converged after 4 iterations. iteration 9: trace = 6.879290874293486 (0.0465986% change) linmin: converged after 4 iterations. iteration 10: trace = 6.875156897538091 (0.0601111% change) linmin: converged after 4 iterations. iteration 11: trace = 6.872798201194945 (0.0343134% change) linmin: converged after 3 iterations. iteration 12: trace = 6.870794994806168 (0.0291511% change) linmin: converged after 4 iterations. iteration 13: trace = 6.868395881036607 (0.0349237% change) linmin: converged after 4 iterations. iteration 14: trace = 6.86621439556751 (0.0317663% change) linmin: converged after 3 iterations. iteration 15: trace = 6.864840060452693 (0.0200179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.864049033521961 (0.0115235% change) large trace change predicted (0.0249855%) linmin: converged after 3 iterations. iteration 17: trace = 6.862313276187908 (0.0252909% change) linmin: converged after 3 iterations. iteration 18: trace = 6.860715224253143 (0.0232901% change) linmin: converged after 3 iterations. iteration 19: trace = 6.859968809484593 (0.0108801% change) linmin: converged after 3 iterations. iteration 20: trace = 6.859391947998565 (0.00840945% change) linmin: converged after 3 iterations. iteration 21: trace = 6.858827502382783 (0.00822914% change) linmin: converged after 3 iterations. iteration 22: trace = 6.858164410591376 (0.00966818% change) linmin: converged after 3 iterations. iteration 23: trace = 6.857406145261944 (0.011057% change) linmin: converged after 3 iterations. iteration 24: trace = 6.856832784686063 (0.00836154% change) linmin: converged after 3 iterations. iteration 25: trace = 6.856491556212852 (0.0049766% change) linmin: converged after 3 iterations. iteration 26: trace = 6.856252194382823 (0.00349109% change) linmin: converged after 4 iterations. iteration 27: trace = 6.856048890634965 (0.00296528% change) linmin: converged after 3 iterations. iteration 28: trace = 6.855800374166336 (0.00362484% change) linmin: converged after 3 iterations. iteration 29: trace = 6.855651394979553 (0.00217306% change) linmin: converged after 3 iterations. iteration 30: trace = 6.855512431528354 (0.00202701% change) linmin: converged after 3 iterations. iteration 31: trace = 6.855355716860478 (0.00228599% change) linmin: converged after 3 iterations. iteration 32: trace = 6.855230958647358 (0.00181988% change) linmin: converged after 3 iterations. iteration 33: trace = 6.855155357961117 (0.00110282% change) linmin: converged after 3 iterations. iteration 34: trace = 6.855094916541149 (0.000881697% change) linmin: converged after 3 iterations. iteration 35: trace = 6.85502521717437 (0.00101676% change) linmin: converged after 7 iterations. iteration 36: trace = 6.854917688010056 (0.00156863% change) linmin: converged after 3 iterations. iteration 37: trace = 6.854865488480574 (0.000761493% change) linmin: converged after 4 iterations. iteration 38: trace = 6.854810981191307 (0.000795165% change) linmin: converged after 4 iterations. iteration 39: trace = 6.854754429052387 (0.000825003% change) linmin: converged after 3 iterations. iteration 40: trace = 6.854698860222133 (0.000810664% change) linmin: converged after 4 iterations. iteration 41: trace = 6.854636654728656 (0.000907491% change) linmin: converged after 3 iterations. iteration 42: trace = 6.854585360152608 (0.000748322% change) linmin: converged after 4 iterations. iteration 43: trace = 6.854557541681724 (0.000405838% change) linmin: converged after 3 iterations. iteration 44: trace = 6.854534987637432 (0.000329038% change) linmin: converged after 3 iterations. iteration 45: trace = 6.854507849304162 (0.000395919% change) linmin: converged after 3 iterations. iteration 46: trace = 6.854474000119207 (0.000493825% change) linmin: converged after 3 iterations. iteration 47: trace = 6.854448910897645 (0.000366028% change) linmin: converged after 4 iterations. iteration 48: trace = 6.854430742783726 (0.000265056% change) linmin: converged after 4 iterations. iteration 49: trace = 6.854409551795755 (0.000309158% change) linmin: converged after 4 iterations. iteration 50: trace = 6.854386819143956 (0.000331651% change) linmin: converged after 3 iterations. iteration 51: trace = 6.854372356342974 (0.000211001% change) linmin: converged after 3 iterations. iteration 52: trace = 6.854363722046957 (0.000125968% change) linmin: converged after 3 iterations. iteration 53: trace = 6.854355940080093 (0.000113533% change) linmin: converged after 3 iterations. iteration 54: trace = 6.854348218303488 (0.000112655% change) linmin: converged after 3 iterations. iteration 55: trace = 6.85434181489553 (9.34212e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.854336867231474 (7.21829e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 6.854332981170005 (5.66949e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.854328856284635 (6.01793e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.854325493270705 (4.90641e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.854320731041433 (6.94777e-05% change) linmin: converged after 2 iterations. iteration 61: trace = 6.854317900614725 (4.12941e-05% change) linmin: converged after 4 iterations. iteration 62: trace = 6.854316466541417 (2.09222e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.854314812325643 (2.41339e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 6.854312707976328 (3.07011e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.854310570267851 (3.11878e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.854309275647925 (1.88877e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.854307864026026 (2.05947e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 6.854306225836385 (2.39001e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.854304757597444 (2.14207e-05% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.85430429181651 (6.79545e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.854303980839092 (4.53697e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 6.854303707007329 (3.99503e-06% change) linmin: converged after 4 iterations. iteration 73: trace = 6.854303306237795 (5.84698e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.854303028457227 (4.05264e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.854302857018638 (2.50118e-06% change) linmin: converged after 2 iterations. iteration 76: trace = 6.854302716414224 (2.05133e-06% change) linmin: converged after 5 iterations. iteration 77: trace = 6.854302589324328 (1.85416e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.854302422020374 (2.44086e-06% change) linmin: converged after 2 iterations. iteration 79: trace = 6.854302178650507 (3.55061e-06% change) linmin: converged after 2 iterations. iteration 80: trace = 6.854302043160593 (1.97671e-06% change) linmin: converged after 5 iterations. iteration 81: trace = 6.854301959862691 (1.21526e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 6.854301838190406 (1.77512e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.854301701143552 (1.99943e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.854301574127346 (1.85309e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.854301492731233 (1.18752e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 6.854301369172781 (1.80264e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.854301206108594 (2.37901e-06% change) linmin: converged after 8 iterations. iteration 88: trace = 6.854301115047358 (1.32853e-06% change) linmin: converged after 3 iterations. iteration 89: trace = 6.854301061403404 (7.82632e-07% change) linmin: converged after 7 iterations. iteration 90: trace = 6.854301010580798 (7.4147e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.854300954169966 (8.22999e-07% change) linmin: converged after 7 iterations. iteration 92: trace = 6.854300910079177 (6.43257e-07% change) linmin: converged after 16 iterations. iteration 93: trace = 6.854300884305875 (3.76016e-07% change) linmin: converged after 2 iterations. iteration 94: trace = 6.854300873282439 (1.60825e-07% change) linmin: converged after 19 iterations. iteration 95: trace = 6.85430086333042 (1.45194e-07% change) linmin: converged after 8 iterations. iteration 96: trace = 6.854300852297724 (1.6096e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.854300845288805 (1.02256e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 6.854300839717113 (8.12875e-08% change) linmin: converged after 2 iterations. iteration 99: trace = 6.85430083316451 (9.55984e-08% change) linmin: converged after 25 iterations. iteration 100: trace = 6.854300825010949 (1.18955e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854300821499368 (5.12318e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854300819427277 (3.02305e-08% change) linmin: converged after 10 iterations. iteration 103: trace = 6.854300816199123 (4.70968e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.854300810980634 (7.61345e-08% change) linmin: converged after 3 iterations. iteration 105: trace = 6.854300805509967 (7.98136e-08% change) linmin: converged after 2 iterations. iteration 106: trace = 6.854300800803374 (6.86663e-08% change) linmin: converged after 3 iterations. iteration 107: trace = 6.854300798635795 (3.16236e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.854300795765834 (4.1871e-08% change) large trace change predicted (8.5378e-08%) linmin: converged after 2 iterations. iteration 109: trace = 6.854300789913748 (8.53783e-08% change) linmin: converged after 3 iterations. iteration 110: trace = 6.854300784491166 (7.91121e-08% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854300782610951 (2.74312e-08% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854300781013686 (2.33031e-08% change) linmin: converged after 5 iterations. iteration 113: trace = 6.854300777960276 (4.45474e-08% change) linmin: converged after 11 iterations. iteration 114: trace = 6.854300776068537 (2.75993e-08% change) linmin: converged after 2 iterations. iteration 115: trace = 6.85430077514526 (1.347e-08% change) linmin: converged after 4 iterations. iteration 116: trace = 6.854300773914987 (1.79489e-08% change) linmin: converged after 17 iterations. iteration 117: trace = 6.854300773064537 (1.24075e-08% change) linmin: converged after 14 iterations. iteration 118: trace = 6.854300772502087 (8.2058e-09% change) linmin: converged after 21 iterations. iteration 119: trace = 6.854300772109052 (5.73414e-09% change) linmin: converged after 4 iterations. iteration 120: trace = 6.854300771873268 (3.43994e-09% change) linmin: converged after 3 iterations. iteration 121: trace = 6.854300771710194 (2.37915e-09% change) linmin: converged after 6 iterations. iteration 122: trace = 6.854300771427565 (4.12338e-09% change) linmin: converged after 4 iterations. iteration 123: trace = 6.854300771301659 (1.83688e-09% change) linmin: converged after 4 iterations. iteration 124: trace = 6.854300771230674 (1.03563e-09% change) linmin: converged after 10 iterations. iteration 125: trace = 6.854300771170164 (8.82801e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.854300771103524 (9.72237e-10% change) linmin: converged after 11 iterations. iteration 127: trace = 6.854300771047175 (8.22106e-10% change) linmin: converged after 3 iterations. iteration 128: trace = 6.854300771013627 (4.89449e-10% change) linmin: converged after 5 iterations. iteration 129: trace = 6.85430077098893 (3.60309e-10% change) linmin: converged after 7 iterations. iteration 130: trace = 6.854300770974116 (2.16126e-10% change) linmin: converged after 3 iterations. iteration 131: trace = 6.854300770966613 (1.09456e-10% change) linmin: converged after 2 iterations. iteration 132: trace = 6.854300770959935 (9.7431e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 0.6719653606414795 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037401 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4732823234872291 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290618 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818523 at Vector3<0.5, 0.5, 0.0> to 0.8037365323031586 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7017932556977584 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711523 at Vector3<0.5, 0.1, 0.0> Band 5 range: 0.9047498485810708 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007138 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.0077925606078892 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.1815403744341735 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.1224242519757037 at Vector3<0.2, 0.0, 0.0> to 1.235156767923532 at Vector3<0.3, 0.3, 0.0> Band 8 range: 1.2059728636717484 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605643 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037401) to band 2 (0.4732823234872291), 12.756230634740582% Gap from band 4 (0.8863448167711523) to band 5 (0.9047498485810708), 2.055171305677368% total elapsed time for run: 13.181404113769531 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" Outputting /tmp/meepREy4kN/test_run_te_with_mu_material-0-mu.h5... mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" ./tmp/meepREy4kN/test_run_te_with_mu_material-0: 13.19s /tmp/meepREy4kN/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013744831085205078 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 16 iterations. iteration 1: trace = 13.34219610907316 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574134645 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532084566 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674664691 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153594937 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956211726 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820096039 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110536306 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920479 (0.0351352% change) linmin: converged after 6 iterations. iteration 10: trace = 4.381187024151515 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064872483 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652773514 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327479996 (0.0364202% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477119388 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613479035 (0.000911427% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192660378 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731090828 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431190648 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977266439 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547638314 (9.82294e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986616824 (1.28271e-05% change) linmin: converged after 8 iterations. iteration 22: trace = 4.373721450686105 (1.22534e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.373721224632515 (5.16845e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 4.373721180253412 (1.01468e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520035 (1.76815e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.373721170365219 (4.92674e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530104 (1.90939e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 4.373721169259862 (6.17878e-09% change) linmin: converged after 28 iterations. iteration 29: trace = 4.373721169186911 (1.66793e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721169145532 (9.4609e-10% change) linmin: converged after 11 iterations. iteration 31: trace = 4.373721169066987 (1.79584e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966431 (2.2991e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 4.373721168940524 (5.92319e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.373721168933659 (1.56974e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.37372116892797 (1.30067e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 4.373721168920043 (1.81241e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 4.373721168904344 (3.58949e-10% change) large trace change predicted (9.95405e-10%) linmin: converged after 5 iterations. iteration 38: trace = 4.373721168860811 (9.95315e-10% change) large trace change predicted (4.53523e-09%) linmin: converged after 6 iterations. iteration 39: trace = 4.373721168662423 (4.53591e-09% change) large trace change predicted (2.07011e-08%) linmin: converged after 3 iterations. iteration 40: trace = 4.373721167757034 (2.07007e-08% change) large trace change predicted (8.12557e-08%) linmin: converged after 4 iterations. iteration 41: trace = 4.373721164203222 (8.12537e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.37372115830691 (1.34812e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721154436483 (8.84928e-08% change) linmin: converged after 11 iterations. iteration 44: trace = 4.373721151274946 (7.22848e-08% change) large trace change predicted (2.03287e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383832 (2.03285e-07% change) large trace change predicted (4.92802e-07%) linmin: converged after 6 iterations. iteration 46: trace = 4.373721120833393 (4.92725e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 4.37372107793805 (9.80752e-07% change) large trace change predicted (2.055e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988609533 (2.04239e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903699593 (1.94137e-06% change) linmin: converged after 9 iterations. iteration 50: trace = 4.373720867145784 (8.3576e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.37372085603617 (2.54008e-07% change) linmin: converged after 9 iterations. iteration 52: trace = 4.373720853582015 (5.61114e-08% change) linmin: converged after 5 iterations. iteration 53: trace = 4.373720853002698 (1.32454e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 4.373720852585022 (9.54968e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851986538 (1.36836e-08% change) linmin: converged after 8 iterations. iteration 56: trace = 4.373720851520712 (1.06506e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 4.373720851245481 (6.29284e-09% change) linmin: converged after 7 iterations. iteration 58: trace = 4.373720851095249 (3.43487e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044093 (1.16963e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.373720851034473 (2.19947e-10% change) linmin: converged after 5 iterations. iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.16282129287719727 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909575996686 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128641663713 (0.94019% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320136589965 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732191285522 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652316352 (0.028693% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414673696 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.290902808716371 (0.00325348% change) linmin: converged after 6 iterations. iteration 8: trace = 4.2908721193893 (0.000715221% change) linmin: converged after 5 iterations. iteration 9: trace = 4.29086322736101 (0.000207231% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496337257 (8.69528e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035134088 (3.40539e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.290857390244804 (1.50294e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285462815 (2.44198e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271945756 (3.1502e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.290857267538623 (1.0271e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 4.290857264553208 (6.95762e-08% change) linmin: converged after 11 iterations. iteration 17: trace = 4.290857263488306 (2.48179e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.290857263235813 (5.88445e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156709 (1.84354e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.290857263115525 (9.59807e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096176 (4.50935e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085615 (2.46136e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.07508969306945801 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007783039 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336657865 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740783887 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881259739 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170494 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621548 (0.000236877% change) linmin: converged after 20 iterations. iteration 7: trace = 4.208308119593188 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493156 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.2083079596792 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47789e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.208307958537226 (2.35728e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.208307958520758 (3.91314e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.04338550567626953 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019179923 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.15091918802987 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.15050869675084 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631781 (0.00137421% change) linmin: converged after 6 iterations. iteration 5: trace = 4.150445322388979 (0.000152712% change) linmin: converged after 4 iterations. iteration 6: trace = 4.150444374952527 (2.28273e-05% change) linmin: converged after 38 iterations. iteration 7: trace = 4.150444119567911 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145889 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167716 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934402 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836717 (2.35361e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.150444015829235 (1.8027e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.043488264083862305 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812539464 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810314 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.11975343523068 (0.0146599% change) linmin: converged after 12 iterations. iteration 4: trace = 4.119635726773534 (0.00285721% change) linmin: converged after 5 iterations. iteration 5: trace = 4.119609536145701 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815895 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308932 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539519 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763422 (4.31134e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629699 (3.24603e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622139 (1.83496e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.04332160949707031 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244646566 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107313 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166868 (0.0241823% change) linmin: converged after 4 iterations. iteration 4: trace = 4.110889360751742 (0.00728306% change) linmin: converged after 6 iterations. iteration 5: trace = 4.11080703996452 (0.00200253% change) linmin: converged after 7 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801953 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787365 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125225 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910481 (5.38765e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738061 (4.19433e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.110777242727878 (2.47714e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.04338836669921875 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254176 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388635 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449423 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.09948996603966 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533704 (3.67352e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.099489964290493 (5.93271e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.099489964275826 (3.57785e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.040293216705322266 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.08011930367582 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385525 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 4 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245483 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.07945290434498 (1.02711e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.079452897007465 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879314 (2.76545e-08% change) linmin: converged after 5 iterations. iteration 10: trace = 4.079452895806834 (1.7767e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.03711700439453125 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550774 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231338 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 5 iterations. iteration 4: trace = 4.068777004347965 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591241 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.068759282973239 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.068759276139259 (3.34843e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.068759276129624 (2.36803e-10% change) linmin: converged after 17 iterations. iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.04033160209655762 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.08041013089164 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235417 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324658 (0.00232088% change) linmin: converged after 5 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.075526949476022 (7.83823e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.075526949369352 (2.61734e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.075526949350733 (4.56846e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.04672503471374512 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043243 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815202 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549152 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589705 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664407 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982815 (0.00206873% change) linmin: converged after 5 iterations. iteration 7: trace = 4.092151257465511 (0.00014336% change) linmin: converged after 5 iterations. iteration 8: trace = 4.0921506669632 (1.44301e-05% change) linmin: converged after 29 iterations. iteration 9: trace = 4.092150601221075 (1.60654e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.09215044281785 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447509 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87883e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.092150433621977 (1.38522e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.050003767013549805 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496078681969 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161341909401 (0.908868% change) linmin: converged after 5 iterations. iteration 3: trace = 4.060628566573646 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416799578 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154678076 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139224234 (0.011194% change) linmin: converged after 11 iterations. iteration 7: trace = 4.046656969292219 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828279984 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979405 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.04665226257679 (3.4696e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 4.046652203574181 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.04665218541018 (4.48865e-07% change) linmin: converged after 23 iterations. iteration 13: trace = 4.046652183788301 (4.00795e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.046652183683065 (2.60056e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.046652183677345 (1.41348e-10% change) linmin: converged after 16 iterations. iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.05340909957885742 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770394939 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188745 (0.123031% change) linmin: converged after 7 iterations. iteration 3: trace = 4.04457112881917 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705128 (0.0011425% change) linmin: converged after 5 iterations. iteration 5: trace = 4.044514961032788 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485701 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.04451325570943 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.044513236602917 (4.94069e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.044513236418492 (4.55988e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.044513236398149 (5.02974e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.040351152420043945 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840204 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070052 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394074 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532734 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601677 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030414 (2.34771e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.113415260853634 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902214 (2.31297e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.113415259769443 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756536 (3.13778e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.04024529457092285 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668811 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052032 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311717 (0.00157809% change) linmin: converged after 5 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 33 iterations. iteration 9: trace = 4.240749647343285 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492671 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080627 (9.71629e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034733 (1.08221e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.240749642029137 (1.31968e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.0467066764831543 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690654 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122198 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936335 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127845 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382419 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369238089 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462298 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817305982 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398593 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837435 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003573 (0.00173939% change) linmin: converged after 5 iterations. iteration 12: trace = 4.373725631015397 (0.000243499% change) linmin: converged after 4 iterations. iteration 13: trace = 4.373723713248079 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.373723043717632 (1.5308e-05% change) linmin: converged after 9 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078789 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618466 (3.39437e-06% change) large trace change predicted (8.38717e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.373721914772871 (8.38749e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.373721775011068 (3.19549e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750853678 (5.5233e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706459 (1.63413e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721741956021 (4.00217e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.373721741656272 (6.8534e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.37372174151351 (3.26409e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.373721741466444 (1.0761e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 4.373721741452075 (3.28549e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 4.373721741432764 (4.41518e-10% change) large trace change predicted (8.94441e-10%) linmin: converged after 10 iterations. iteration 28: trace = 4.373721741393643 (8.94449e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 4.373721741340017 (1.22611e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.37372174131413 (5.91872e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.37372174130407 (2.29999e-10% change) large trace change predicted (8.8515e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.373721741265362 (8.85026e-10% change) large trace change predicted (1.78977e-09%) linmin: converged after 3 iterations. iteration 33: trace = 4.373721741187082 (1.78977e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 4.373721741036555 (3.44162e-09% change) large trace change predicted (3.16488e-08%) linmin: converged after 4 iterations. iteration 35: trace = 4.373721739652334 (3.16486e-08% change) large trace change predicted (1.81295e-07%) linmin: converged after 4 iterations. iteration 36: trace = 4.373721731723725 (1.81278e-07% change) large trace change predicted (7.42215e-07%) linmin: converged after 4 iterations. iteration 37: trace = 4.373721699293694 (7.41474e-07% change) large trace change predicted (1.81306e-06%) linmin: converged after 7 iterations. iteration 38: trace = 4.373721620557427 (1.80021e-06% change) large trace change predicted (3.99382e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449599707 (3.90875e-06% change) linmin: converged after 16 iterations. iteration 40: trace = 4.373721351488157 (2.24321e-06% change) linmin: converged after 9 iterations. iteration 41: trace = 4.373721289289993 (1.42209e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 4.373721192919876 (2.20339e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721122950544 (1.59977e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.37372102588002 (2.2194e-06% change) linmin: converged after 6 iterations. iteration 45: trace = 4.373720919585161 (2.43031e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 4.373720871332154 (1.10325e-06% change) linmin: converged after 10 iterations. iteration 47: trace = 4.373720860378917 (2.50433e-07% change) linmin: converged after 13 iterations. iteration 48: trace = 4.373720857832792 (5.82142e-08% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720856551008 (2.93065e-08% change) linmin: converged after 4 iterations. iteration 50: trace = 4.373720854512562 (4.66067e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.373720852662255 (4.23051e-08% change) linmin: converged after 18 iterations. iteration 52: trace = 4.373720851889837 (1.76604e-08% change) linmin: converged after 7 iterations. iteration 53: trace = 4.373720851692727 (4.50671e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644104 (1.1117e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851631798 (2.81376e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.37372085162005 (2.68603e-10% change) linmin: converged after 28 iterations. iteration 57: trace = 4.373720851604448 (3.56716e-10% change) linmin: converged after 16 iterations. iteration 58: trace = 4.373720851597927 (1.49095e-10% change) linmin: converged after 16 iterations. iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 .elapsed time for k point: 0.15748190879821777 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% total elapsed time for run: 0.9666578769683838 done /tmp/meepREy4kN/test_run_tm-0: 0.97s /tmp/meepREy4kN/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001375436782836914 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1393122673034668 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3867659568786621 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08538508415222168 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.0782773494720459 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09089493751525879 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14143705368041992 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10705137252807617 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09102916717529297 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07828354835510254 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07504487037658691 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07499551773071289 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05935931205749512 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06903958320617676 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09411787986755371 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11033463478088379 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24715280532836914 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.930971384048462 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013663768768310547 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13936734199523926 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.38861799240112305 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08571982383728027 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07923769950866699 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09201455116271973 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14267730712890625 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10729622840881348 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09107756614685059 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07871627807617188 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07518148422241211 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07503819465637207 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05931234359741211 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06895184516906738 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09409594535827637 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11017799377441406 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2466890811920166 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9366626739501953 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014154911041259766 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13971257209777832 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3876481056213379 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08557367324829102 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07876038551330566 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.0912623405456543 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14220666885375977 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10780596733093262 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09158134460449219 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0790395736694336 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0754237174987793 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07564806938171387 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05983257293701172 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06942343711853027 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09461784362792969 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11068487167358398 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.248002290725708 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.939781665802002 done /tmp/meepREy4kN/test_set_eigenvectors-0: 5.81s /tmp/meepREy4kN/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013766288757324219 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 16.67252686302908 (193.833% change) linmin: converged after 9 iterations. iteration 2: trace = 7.425605351690049 (76.7439% change) linmin: converged after 5 iterations. iteration 3: trace = 6.413529606638005 (14.6263% change) linmin: converged after 5 iterations. iteration 4: trace = 5.997870542994756 (6.69802% change) linmin: converged after 6 iterations. iteration 5: trace = 5.79224276091566 (3.48814% change) linmin: converged after 6 iterations. iteration 6: trace = 5.704204927742786 (1.53157% change) linmin: converged after 5 iterations. iteration 7: trace = 5.662063364719285 (0.74152% change) linmin: converged after 5 iterations. iteration 8: trace = 5.645383220801679 (0.295029% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636808514863864 (0.152004% change) linmin: converged after 5 iterations. iteration 10: trace = 5.632389510950197 (0.0784262% change) linmin: converged after 4 iterations. iteration 11: trace = 5.630973803281849 (0.0251383% change) linmin: converged after 4 iterations. iteration 12: trace = 5.630304289828852 (0.0118905% change) linmin: converged after 4 iterations. iteration 13: trace = 5.629948267451506 (0.00632352% change) linmin: converged after 5 iterations. iteration 14: trace = 5.629707527279325 (0.00427616% change) linmin: converged after 4 iterations. iteration 15: trace = 5.629494146577414 (0.00379033% change) linmin: converged after 5 iterations. iteration 16: trace = 5.629334770611416 (0.00283113% change) linmin: converged after 6 iterations. iteration 17: trace = 5.629195179750856 (0.00247974% change) linmin: converged after 5 iterations. iteration 18: trace = 5.629089143354889 (0.0018837% change) linmin: converged after 5 iterations. iteration 19: trace = 5.629015210328871 (0.00131342% change) linmin: converged after 6 iterations. iteration 20: trace = 5.628955227218207 (0.00106561% change) linmin: converged after 11 iterations. iteration 21: trace = 5.628918234635336 (0.000657186% change) linmin: converged after 4 iterations. iteration 22: trace = 5.628892160266109 (0.000463223% change) linmin: converged after 4 iterations. iteration 23: trace = 5.628877918707712 (0.000253009% change) linmin: converged after 5 iterations. iteration 24: trace = 5.62887054067606 (0.000131075% change) linmin: converged after 5 iterations. iteration 25: trace = 5.628866521545895 (7.14021e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 5.628864944361903 (2.80196e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 5.628864428335529 (9.1675e-06% change) linmin: converged after 7 iterations. iteration 28: trace = 5.62886425401095 (3.09698e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 5.628864199206571 (9.73631e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 5.628864180871537 (3.25732e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 5.628864174355813 (1.15756e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 5.628864171803267 (4.53475e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.628864170678066 (1.99898e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 5.628864170196785 (8.55023e-09% change) linmin: converged after 15 iterations. iteration 35: trace = 5.628864169964668 (4.12368e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 5.628864169778796 (3.30212e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.628864169602519 (3.13167e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.62886416940592 (3.4927e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 5.628864169253106 (2.71482e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.628864169153889 (1.76264e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628864169097572 (1.00051e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.628864169061677 (6.37692e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 5.628864169036878 (4.40565e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628864169022913 (2.48093e-10% change) linmin: converged after 6 iterations. iteration 45: trace = 5.628864169016424 (1.15281e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 5.628864169013057 (5.98182e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.121734619140625 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 14 iterations. iteration 1: trace = 5.662598383811167 (0.236431% change) linmin: converged after 4 iterations. iteration 2: trace = 5.655498054240403 (0.125469% change) linmin: converged after 3 iterations. iteration 3: trace = 5.653351656918011 (0.0379596% change) linmin: converged after 3 iterations. iteration 4: trace = 5.652109656699427 (0.0219717% change) linmin: converged after 4 iterations. iteration 5: trace = 5.651455832959613 (0.0115685% change) linmin: converged after 3 iterations. iteration 6: trace = 5.650961670354926 (0.00874437% change) linmin: converged after 4 iterations. iteration 7: trace = 5.650673951221756 (0.00509164% change) linmin: converged after 3 iterations. iteration 8: trace = 5.650503338619175 (0.00301938% change) linmin: converged after 3 iterations. iteration 9: trace = 5.650430417719853 (0.00129053% change) linmin: converged after 4 iterations. iteration 10: trace = 5.650387262435861 (0.000763755% change) linmin: converged after 6 iterations. iteration 11: trace = 5.650369556589035 (0.000313357% change) linmin: converged after 5 iterations. iteration 12: trace = 5.650362805815968 (0.000119475% change) linmin: converged after 3 iterations. iteration 13: trace = 5.650360400668589 (4.25663e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.650359822550923 (1.02315e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.650359570379916 (4.46292e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.650359460721299 (1.94074e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.650359418358622 (7.49734e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 5.650359402314912 (2.83941e-07% change) linmin: converged after 38 iterations. iteration 19: trace = 5.650359397610181 (8.32643e-08% change) linmin: converged after 13 iterations. iteration 20: trace = 5.650359395697382 (3.38527e-08% change) linmin: converged after 7 iterations. iteration 21: trace = 5.650359394584283 (1.96996e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.650359393286076 (2.29757e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.650359391538196 (3.09339e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 5.650359389901621 (2.89641e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.650359388475083 (2.52469e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 5.650359386379993 (3.70789e-08% change) large trace change predicted (9.58039e-08%) linmin: converged after 5 iterations. iteration 27: trace = 5.650359380966579 (9.58065e-08% change) near maximum in trace linmin: converged after 15 iterations. iteration 28: trace = 5.650291267622267 (0.00120548% change) linmin: converged after 6 iterations. iteration 29: trace = 5.650291192580686 (1.3281e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.65029111828439 (1.31491e-06% change) linmin: converged after 6 iterations. iteration 31: trace = 5.650291044755035 (1.30134e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.650290972006891 (1.28751e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.650290900047981 (1.27354e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.650290828881055 (1.25953e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.650290758504497 (1.24554e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.650290688913006 (1.23164e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 5.650290620098408 (1.21789e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.650290552050093 (1.20433e-06% change) linmin: converged after 18 iterations. iteration 39: trace = 5.650290484755575 (1.19099e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 5.650290418200888 (1.1779e-06% change) linmin: converged after 6 iterations. iteration 41: trace = 5.650290352370963 (1.16507e-06% change) linmin: converged after 9 iterations. iteration 42: trace = 5.650290287249877 (1.15253e-06% change) linmin: converged after 13 iterations. iteration 43: trace = 5.650290222821092 (1.14027e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 5.650290159067736 (1.12832e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 5.650290095972685 (1.11667e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.650290033518802 (1.10532e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.650289971688902 (1.09428e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.650289910466009 (1.08354e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.650289849833287 (1.07309e-06% change) linmin: converged after 8 iterations. iteration 50: trace = 5.650289789774213 (1.06294e-06% change) linmin: converged after 13 iterations. iteration 51: trace = 5.650289730272561 (1.05307e-06% change) linmin: converged after 8 iterations. iteration 52: trace = 5.650289671296088 (1.04378e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 5.650289612861914 (1.03418e-06% change) linmin: converged after 8 iterations. iteration 54: trace = 5.650289554938581 (1.02514e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.650289497495159 (1.01665e-06% change) linmin: converged after 13 iterations. iteration 56: trace = 5.650289440549649 (1.00783e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 5.650289384071982 (9.99554e-07% change) linmin: converged after 5 iterations. iteration 58: trace = 5.650289328048608 (9.91513e-07% change) linmin: converged after 11 iterations. iteration 59: trace = 5.650289272466417 (9.83705e-07% change) linmin: converged after 7 iterations. iteration 60: trace = 5.650289217312721 (9.76122e-07% change) linmin: converged after 8 iterations. iteration 61: trace = 5.65028916256365 (9.68961e-07% change) linmin: converged after 13 iterations. iteration 62: trace = 5.650289108230337 (9.61602e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 5.650289054289503 (9.54656e-07% change) linmin: converged after 11 iterations. iteration 64: trace = 5.650289000730409 (9.479e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 5.650288947538981 (9.41393e-07% change) linmin: converged after 7 iterations. iteration 66: trace = 5.650288894702843 (9.35105e-07% change) linmin: converged after 11 iterations. iteration 67: trace = 5.650288842216428 (9.28916e-07% change) linmin: converged after 5 iterations. iteration 68: trace = 5.65028879007867 (9.22745e-07% change) linmin: converged after 5 iterations. iteration 69: trace = 5.650288738271742 (9.1689e-07% change) resetting CG direction... large trace change predicted (0.0219511%) linmin: converged after 4 iterations. iteration 70: trace = 5.64903032302802 (0.0222742% change) linmin: converged after 3 iterations. iteration 71: trace = 5.648291212742171 (0.0130847% change) linmin: converged after 4 iterations. iteration 72: trace = 5.647952501326173 (0.00599689% change) linmin: converged after 4 iterations. iteration 73: trace = 5.647729842650739 (0.00394237% change) linmin: converged after 4 iterations. iteration 74: trace = 5.647486194152222 (0.00431419% change) linmin: converged after 4 iterations. iteration 75: trace = 5.647157356579553 (0.00582289% change) linmin: converged after 4 iterations. iteration 76: trace = 5.646835731077392 (0.00569551% change) linmin: converged after 4 iterations. iteration 77: trace = 5.646550214966825 (0.00505634% change) linmin: converged after 4 iterations. iteration 78: trace = 5.646220512186881 (0.00583918% change) large trace change predicted (0.0119209%) linmin: converged after 4 iterations. iteration 79: trace = 5.64551507554342 (0.0124947% change) large trace change predicted (0.0250175%) linmin: converged after 4 iterations. iteration 80: trace = 5.644058656681537 (0.0258011% change) linmin: converged after 7 iterations. iteration 81: trace = 5.642273131390932 (0.0316405% change) linmin: converged after 5 iterations. iteration 82: trace = 5.640697904059197 (0.0279222% change) linmin: converged after 7 iterations. iteration 83: trace = 5.63984485797904 (0.0151242% change) linmin: converged after 4 iterations. iteration 84: trace = 5.639288313336282 (0.00986857% change) linmin: converged after 4 iterations. iteration 85: trace = 5.638902602410139 (0.00683994% change) linmin: converged after 3 iterations. iteration 86: trace = 5.638726948718296 (0.00311508% change) linmin: converged after 3 iterations. iteration 87: trace = 5.638638858011665 (0.00156226% change) linmin: converged after 3 iterations. iteration 88: trace = 5.638595369382163 (0.000771264% change) linmin: converged after 3 iterations. iteration 89: trace = 5.638570484323941 (0.000441335% change) linmin: converged after 3 iterations. iteration 90: trace = 5.638555861747498 (0.000259332% change) linmin: converged after 3 iterations. iteration 91: trace = 5.638546191837316 (0.000171496% change) linmin: converged after 4 iterations. iteration 92: trace = 5.638539563345949 (0.000117557% change) linmin: converged after 3 iterations. iteration 93: trace = 5.638535838298758 (6.60641e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 5.638534036457183 (3.19558e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 5.638532920712363 (1.97879e-05% change) linmin: converged after 7 iterations. iteration 96: trace = 5.638532011416613 (1.61265e-05% change) linmin: converged after 3 iterations. iteration 97: trace = 5.638531072732994 (1.66477e-05% change) linmin: converged after 6 iterations. iteration 98: trace = 5.638530025006578 (1.85816e-05% change) linmin: converged after 3 iterations. iteration 99: trace = 5.638528496977349 (2.70998e-05% change) linmin: converged after 5 iterations. iteration 100: trace = 5.638526248322741 (3.98802e-05% change) linmin: converged after 5 iterations. iteration 101: trace = 5.638523965074012 (4.04937e-05% change) linmin: converged after 5 iterations. iteration 102: trace = 5.638521697364039 (4.02182e-05% change) linmin: converged after 13 iterations. iteration 103: trace = 5.638518648988574 (5.40634e-05% change) linmin: converged after 10 iterations. iteration 104: trace = 5.638516668758926 (3.51197e-05% change) linmin: converged after 3 iterations. iteration 105: trace = 5.638515788106401 (1.56185e-05% change) linmin: converged after 3 iterations. iteration 106: trace = 5.638515475587027 (5.54258e-06% change) linmin: converged after 5 iterations. iteration 107: trace = 5.638515353510284 (2.16505e-06% change) linmin: converged after 12 iterations. iteration 108: trace = 5.638515290917348 (1.1101e-06% change) linmin: converged after 2 iterations. iteration 109: trace = 5.638515251394711 (7.0094e-07% change) linmin: converged after 17 iterations. iteration 110: trace = 5.638515230497352 (3.70618e-07% change) linmin: converged after 4 iterations. iteration 111: trace = 5.638515218975298 (2.04346e-07% change) linmin: converged after 25 iterations. iteration 112: trace = 5.638515214529265 (7.88511e-08% change) linmin: converged after 16 iterations. iteration 113: trace = 5.638515212755617 (3.1456e-08% change) linmin: converged after 4 iterations. iteration 114: trace = 5.638515211745045 (1.79227e-08% change) linmin: converged after 14 iterations. iteration 115: trace = 5.638515210945735 (1.41759e-08% change) linmin: converged after 11 iterations. iteration 116: trace = 5.638515210024359 (1.63408e-08% change) linmin: converged after 6 iterations. iteration 117: trace = 5.638515209011968 (1.79549e-08% change) linmin: converged after 3 iterations. iteration 118: trace = 5.638515207794927 (2.15844e-08% change) linmin: converged after 6 iterations. iteration 119: trace = 5.638515206516135 (2.26796e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 5.638515205038356 (2.62087e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 5.638515202931114 (3.73723e-08% change) linmin: converged after 6 iterations. iteration 122: trace = 5.638515200854903 (3.68219e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 5.638515199087083 (3.13526e-08% change) linmin: converged after 5 iterations. iteration 124: trace = 5.638515198023093 (1.887e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 5.638515197266766 (1.34136e-08% change) linmin: converged after 20 iterations. iteration 126: trace = 5.638515196709655 (9.88047e-09% change) linmin: converged after 5 iterations. iteration 127: trace = 5.638515196250812 (8.13765e-09% change) linmin: converged after 15 iterations. iteration 128: trace = 5.638515195990669 (4.61368e-09% change) linmin: converged after 7 iterations. iteration 129: trace = 5.638515195870576 (2.12987e-09% change) linmin: converged after 9 iterations. iteration 130: trace = 5.638515195810722 (1.06151e-09% change) linmin: converged after 8 iterations. iteration 131: trace = 5.638515195782563 (4.99417e-10% change) linmin: converged after 18 iterations. iteration 132: trace = 5.63851519576964 (2.29176e-10% change) linmin: converged after 3 iterations. iteration 133: trace = 5.63851519576392 (1.01459e-10% change) linmin: converged after 4 iterations. iteration 134: trace = 5.63851519575991 (7.11045e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 elapsed time for k point: 0.43048906326293945 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.610243836776812 (0.416683% change) linmin: converged after 3 iterations. iteration 2: trace = 5.599604920322789 (0.189814% change) linmin: converged after 4 iterations. iteration 3: trace = 5.596604913833221 (0.0535897% change) linmin: converged after 3 iterations. iteration 4: trace = 5.595662117729327 (0.0168473% change) linmin: converged after 3 iterations. iteration 5: trace = 5.595313265090729 (0.00623454% change) linmin: converged after 4 iterations. iteration 6: trace = 5.595227399874204 (0.0015346% change) linmin: converged after 14 iterations. iteration 7: trace = 5.59519831393708 (0.000519836% change) linmin: converged after 4 iterations. iteration 8: trace = 5.595186325956774 (0.000214255% change) linmin: converged after 3 iterations. iteration 9: trace = 5.595182011684434 (7.71069e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.595180202268774 (3.23388e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.595179604043117 (1.06918e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.595179391571373 (3.79741e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 5.595179311138063 (1.43755e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.595179285473619 (4.58688e-07% change) linmin: converged after 24 iterations. iteration 15: trace = 5.595179276623078 (1.58182e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.595179273689021 (5.2439e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.595179272904638 (1.40189e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.595179272581779 (5.77031e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.595179272336521 (4.38338e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.595179272188361 (2.648e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 5.595179272063358 (2.23411e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.595179271964549 (1.76598e-09% change) linmin: converged after 6 iterations. iteration 23: trace = 5.595179271878047 (1.546e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.595179271843309 (6.20864e-10% change) linmin: converged after 12 iterations. iteration 25: trace = 5.59517927182701 (2.91304e-10% change) linmin: converged after 18 iterations. iteration 26: trace = 5.595179271819191 (1.39739e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.595179271816558 (4.70664e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 elapsed time for k point: 0.08870077133178711 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.589278769396838 (0.288852% change) linmin: converged after 4 iterations. iteration 2: trace = 5.582217264358345 (0.12642% change) linmin: converged after 4 iterations. iteration 3: trace = 5.579630100765367 (0.0463573% change) linmin: converged after 4 iterations. iteration 4: trace = 5.578713954553674 (0.0164208% change) linmin: converged after 4 iterations. iteration 5: trace = 5.578208746315653 (0.00905641% change) linmin: converged after 4 iterations. iteration 6: trace = 5.578027303291385 (0.00325276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.577942072907685 (0.00152798% change) linmin: converged after 3 iterations. iteration 8: trace = 5.577913363825518 (0.000514691% change) linmin: converged after 3 iterations. iteration 9: trace = 5.577905893250987 (0.000133931% change) linmin: converged after 4 iterations. iteration 10: trace = 5.577903978777093 (3.43225e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.577903462384925 (9.25782e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.57790335182199 (1.98216e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.577903319845038 (5.73279e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.577903310566395 (1.66346e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.577903307418651 (5.64324e-08% change) linmin: converged after 20 iterations. iteration 16: trace = 5.577903305861661 (2.79135e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.577903305185309 (1.21256e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.577903304857375 (5.87916e-09% change) linmin: converged after 13 iterations. iteration 19: trace = 5.57790330471606 (2.53347e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.577903304686394 (5.31865e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.577903304676377 (1.79581e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.577903304673043 (5.97596e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 elapsed time for k point: 0.07223796844482422 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.607466984195186 (0.245114% change) linmin: converged after 5 iterations. iteration 2: trace = 5.600508098174442 (0.124177% change) linmin: converged after 4 iterations. iteration 3: trace = 5.597121607947972 (0.0604858% change) linmin: converged after 4 iterations. iteration 4: trace = 5.595549314424401 (0.0280951% change) linmin: converged after 4 iterations. iteration 5: trace = 5.594551452727512 (0.0178347% change) linmin: converged after 4 iterations. iteration 6: trace = 5.594215569329972 (0.00600394% change) linmin: converged after 4 iterations. iteration 7: trace = 5.594087068851766 (0.00229705% change) linmin: converged after 4 iterations. iteration 8: trace = 5.594049548640577 (0.000670714% change) linmin: converged after 3 iterations. iteration 9: trace = 5.594038609820747 (0.000195544% change) linmin: converged after 2 iterations. iteration 10: trace = 5.594035067085783 (6.33306e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.594033390558402 (2.99699e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.594032551741144 (1.49949e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.594031999184887 (9.8776e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.594031699982709 (5.3486e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 5.594031556072584 (2.57257e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.594031485788911 (1.2564e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.594031455144977 (5.47797e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.594031432706867 (4.01108e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 5.594031422730698 (1.78336e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.594031418912026 (6.82633e-08% change) linmin: converged after 15 iterations. iteration 21: trace = 5.59403141767742 (2.20701e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.594031417255707 (7.53863e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.594031417032634 (3.9877e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.594031416919611 (2.02041e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 5.594031416877138 (7.5925e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.594031416862819 (2.55973e-10% change) linmin: converged after 7 iterations. iteration 27: trace = 5.594031416858383 (7.93069e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 elapsed time for k point: 0.08826994895935059 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.658952488023719 (0.227165% change) linmin: converged after 5 iterations. iteration 2: trace = 5.651172639068033 (0.137573% change) linmin: converged after 5 iterations. iteration 3: trace = 5.64697745294418 (0.0742632% change) linmin: converged after 4 iterations. iteration 4: trace = 5.644684383770696 (0.0406153% change) linmin: converged after 4 iterations. iteration 5: trace = 5.643239756073964 (0.025596% change) linmin: converged after 4 iterations. iteration 6: trace = 5.642724507560135 (0.00913078% change) linmin: converged after 4 iterations. iteration 7: trace = 5.642475213056803 (0.00441808% change) linmin: converged after 4 iterations. iteration 8: trace = 5.642293858955272 (0.00321414% change) linmin: converged after 4 iterations. iteration 9: trace = 5.642022882947465 (0.0048027% change) large trace change predicted (0.0102229%) linmin: converged after 4 iterations. iteration 10: trace = 5.641446879082053 (0.0102097% change) linmin: converged after 5 iterations. iteration 11: trace = 5.640440099441923 (0.0178477% change) linmin: converged after 5 iterations. iteration 12: trace = 5.639322938644529 (0.0198082% change) linmin: converged after 4 iterations. iteration 13: trace = 5.638404375778331 (0.0162899% change) linmin: converged after 4 iterations. iteration 14: trace = 5.637799416718211 (0.0107298% change) linmin: converged after 3 iterations. iteration 15: trace = 5.637559421782496 (0.00425698% change) linmin: converged after 3 iterations. iteration 16: trace = 5.63747344756972 (0.00152504% change) linmin: converged after 3 iterations. iteration 17: trace = 5.637440210805517 (0.00058957% change) linmin: converged after 3 iterations. iteration 18: trace = 5.637423473771829 (0.000296891% change) linmin: converged after 3 iterations. iteration 19: trace = 5.637418827785591 (8.24133e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.637417051137828 (3.15153e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 5.637416175196377 (1.5538e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 5.637415738685664 (7.7431e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.637415488828052 (4.43213e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.63741535483237 (2.3769e-06% change) linmin: converged after 15 iterations. iteration 25: trace = 5.637415263728912 (1.61605e-06% change) linmin: converged after 35 iterations. iteration 26: trace = 5.637415208122748 (9.86377e-07% change) linmin: converged after 24 iterations. iteration 27: trace = 5.637415147804388 (1.06996e-06% change) large trace change predicted (2.89728e-06%) linmin: converged after 5 iterations. iteration 28: trace = 5.637414984466684 (2.89739e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.637414701464717 (5.02007e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.637414479206141 (3.94256e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.637414382457989 (1.71618e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.637414352167232 (5.37316e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 5.637414342883594 (1.64679e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 5.637414340072162 (4.98709e-08% change) linmin: converged after 5 iterations. iteration 35: trace = 5.637414339312542 (1.34746e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 5.63741433891448 (7.06107e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 5.637414338639296 (4.88139e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.63741433845614 (3.24893e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 5.637414338381272 (1.32806e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 5.637414338346884 (6.09989e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 5.637414338317711 (5.17491e-10% change) linmin: converged after 8 iterations. iteration 42: trace = 5.637414338273104 (7.91267e-10% change) linmin: converged after 15 iterations. iteration 43: trace = 5.63741433821137 (1.09509e-09% change) linmin: converged after 20 iterations. iteration 44: trace = 5.637414338111031 (1.77987e-09% change) linmin: converged after 5 iterations. iteration 45: trace = 5.63741433801738 (1.66125e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 5.637414337962035 (9.81746e-10% change) linmin: converged after 8 iterations. iteration 47: trace = 5.637414337944453 (3.11872e-10% change) linmin: converged after 13 iterations. iteration 48: trace = 5.637414337940057 (7.79876e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 elapsed time for k point: 0.1552107334136963 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.58845996120054 (1.62524% change) linmin: converged after 5 iterations. iteration 2: trace = 5.538961403002229 (0.889668% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527070270349131 (0.214912% change) linmin: converged after 3 iterations. iteration 4: trace = 5.522342887661988 (0.085568% change) linmin: converged after 3 iterations. iteration 5: trace = 5.520392483599115 (0.0353247% change) linmin: converged after 4 iterations. iteration 6: trace = 5.519566528529973 (0.014963% change) linmin: converged after 4 iterations. iteration 7: trace = 5.519192001279461 (0.00678568% change) linmin: converged after 4 iterations. iteration 8: trace = 5.519052775913094 (0.0025226% change) linmin: converged after 4 iterations. iteration 9: trace = 5.518995901845807 (0.00103051% change) linmin: converged after 4 iterations. iteration 10: trace = 5.518965434921136 (0.000552039% change) linmin: converged after 3 iterations. iteration 11: trace = 5.518951031752566 (0.000260976% change) linmin: converged after 5 iterations. iteration 12: trace = 5.518944394189483 (0.000120269% change) linmin: converged after 5 iterations. iteration 13: trace = 5.518942193535247 (3.98746e-05% change) linmin: converged after 15 iterations. iteration 14: trace = 5.518941629485422 (1.02203e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.51894144352032 (3.36958e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.518941398225257 (8.2072e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 5.518941383071711 (2.74573e-07% change) linmin: converged after 12 iterations. iteration 18: trace = 5.518941376509176 (1.18909e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.518941374239362 (4.11277e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.518941372978494 (2.28462e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.518941372520785 (8.29343e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.518941372298925 (4.01997e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.51894137216323 (2.45871e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.518941372061886 (1.83629e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.518941371930683 (2.37731e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 5.518941371759545 (3.10093e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.518941371614912 (2.62066e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 5.518941371516163 (1.78927e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 5.518941371440128 (1.37771e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.518941371369826 (1.27383e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 5.51894137133035 (7.15282e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 5.518941371316815 (2.45262e-10% change) linmin: converged after 18 iterations. iteration 33: trace = 5.518941371312549 (7.7296e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 elapsed time for k point: 0.10737967491149902 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.358965069231854 (0.494938% change) linmin: converged after 5 iterations. iteration 2: trace = 5.347410133100355 (0.215852% change) linmin: converged after 4 iterations. iteration 3: trace = 5.344694532958302 (0.0507964% change) linmin: converged after 4 iterations. iteration 4: trace = 5.343549261595155 (0.0214305% change) linmin: converged after 5 iterations. iteration 5: trace = 5.342917059986708 (0.0118318% change) linmin: converged after 4 iterations. iteration 6: trace = 5.342682889492325 (0.00438292% change) linmin: converged after 4 iterations. iteration 7: trace = 5.34257673377283 (0.00198696% change) linmin: converged after 4 iterations. iteration 8: trace = 5.34254020353794 (0.000683759% change) linmin: converged after 4 iterations. iteration 9: trace = 5.342529450593277 (0.00020127% change) linmin: converged after 5 iterations. iteration 10: trace = 5.342525583052339 (7.23916e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.342524762095747 (1.53665e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.342524528418492 (4.37391e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.34252447592385 (9.82581e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.342524468019509 (1.47951e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.342524466444304 (2.94843e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.342524466019545 (7.95053e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.342524465855403 (3.07236e-09% change) linmin: converged after 18 iterations. iteration 18: trace = 5.342524465750503 (1.96349e-09% change) linmin: converged after 8 iterations. iteration 19: trace = 5.342524465692871 (1.07874e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.342524465655599 (6.97639e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.342524465621588 (6.36609e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 5.342524465595665 (4.85225e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.342524465572257 (4.38144e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.342524465547465 (4.64062e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.342524465528069 (3.6305e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.342524465517736 (1.93412e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.342524465514544 (5.97325e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 elapsed time for k point: 0.08848881721496582 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.205843851365977 (0.260823% change) linmin: converged after 3 iterations. iteration 2: trace = 5.201250999979981 (0.0882639% change) linmin: converged after 4 iterations. iteration 3: trace = 5.200149842129167 (0.0211733% change) linmin: converged after 4 iterations. iteration 4: trace = 5.199802675803611 (0.00667631% change) linmin: converged after 4 iterations. iteration 5: trace = 5.199636452166119 (0.00319678% change) linmin: converged after 11 iterations. iteration 6: trace = 5.199588777496309 (0.000916889% change) linmin: converged after 3 iterations. iteration 7: trace = 5.199568860655153 (0.000383047% change) linmin: converged after 4 iterations. iteration 8: trace = 5.199559960602095 (0.000171169% change) linmin: converged after 4 iterations. iteration 9: trace = 5.199557315513331 (5.08714e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.199556443338575 (1.6774e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.199556282069325 (3.1016e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.199556247771246 (6.59635e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.199556240158948 (1.46403e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.199556238716337 (2.77449e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.199556238427382 (5.55729e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.199556238339889 (1.6827e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.199556238303392 (7.01926e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.199556238269373 (6.54268e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.199556238207714 (1.18585e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.199556238136205 (1.37529e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.19955623808818 (9.23648e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.199556238072939 (2.93124e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.199556238067979 (9.53848e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 elapsed time for k point: 0.0755760669708252 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.113888636560835 (0.193819% change) linmin: converged after 3 iterations. iteration 2: trace = 5.111058653692732 (0.0553545% change) linmin: converged after 4 iterations. iteration 3: trace = 5.110360041817678 (0.0136696% change) linmin: converged after 4 iterations. iteration 4: trace = 5.110178387935674 (0.00355468% change) linmin: converged after 3 iterations. iteration 5: trace = 5.110110328941208 (0.00133184% change) linmin: converged after 3 iterations. iteration 6: trace = 5.110094373675731 (0.00031223% change) linmin: converged after 3 iterations. iteration 7: trace = 5.110090048386217 (8.46421e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.110087943959183 (4.11818e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.110087209667761 (1.43694e-05% change) linmin: converged after 22 iterations. iteration 10: trace = 5.110086882135968 (6.40951e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.110086801162778 (1.58458e-06% change) linmin: converged after 12 iterations. iteration 12: trace = 5.110086778559403 (4.42329e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.110086772372885 (1.21065e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.110086770914102 (2.85471e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.110086770602329 (6.10113e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.110086770517023 (1.66936e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.110086770480933 (7.06255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.1100867704383 (8.343e-10% change) large trace change predicted (2.1347e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.110086770329221 (2.13458e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.110086770238314 (1.77897e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.110086770200718 (7.35716e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.110086770192777 (1.55403e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.110086770190959 (3.55787e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 elapsed time for k point: 0.07587027549743652 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.08296873445709 (0.170848% change) linmin: converged after 4 iterations. iteration 2: trace = 5.080632009848869 (0.0459822% change) linmin: converged after 4 iterations. iteration 3: trace = 5.080034162833817 (0.0117679% change) linmin: converged after 4 iterations. iteration 4: trace = 5.079889067208426 (0.00285623% change) linmin: converged after 4 iterations. iteration 5: trace = 5.079840786284366 (0.000950437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.079830362273212 (0.000205204% change) linmin: converged after 2 iterations. iteration 7: trace = 5.079828547056509 (3.57338e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.079827969475189 (1.13701e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 5.079827856733455 (2.2194e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 5.079827805883459 (1.00102e-06% change) linmin: converged after 6 iterations. iteration 11: trace = 5.079827785437719 (4.02489e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 5.0798277757082 (1.91532e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.079827771842986 (7.60895e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 5.079827770756292 (2.13923e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.07982777053307 (4.39427e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.07982777046622 (1.31598e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.079827770421266 (8.84956e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 5.079827770346474 (1.47235e-09% change) large trace change predicted (3.34423e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.079827770176589 (3.3443e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.079827770098357 (1.54006e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.079827770077138 (4.17703e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.079827770073004 (8.13725e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 elapsed time for k point: 0.07216763496398926 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.146430386813067 (0.331875% change) linmin: converged after 4 iterations. iteration 2: trace = 5.14163854363848 (0.0931534% change) linmin: converged after 4 iterations. iteration 3: trace = 5.14033682432069 (0.0253204% change) linmin: converged after 4 iterations. iteration 4: trace = 5.139958644400264 (0.00735737% change) linmin: converged after 4 iterations. iteration 5: trace = 5.139823079442868 (0.00263751% change) linmin: converged after 5 iterations. iteration 6: trace = 5.139792533516841 (0.000594301% change) linmin: converged after 4 iterations. iteration 7: trace = 5.139787176704381 (0.000104222% change) linmin: converged after 4 iterations. iteration 8: trace = 5.139785473947313 (3.31289e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.139785114467225 (6.99407e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 5.139784968056226 (2.84858e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.139784924164505 (8.5396e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.139784914516126 (1.8772e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.139784912150693 (4.6022e-08% change) linmin: converged after 23 iterations. iteration 14: trace = 5.139784911632526 (1.00815e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.139784911523805 (2.11528e-09% change) linmin: converged after 10 iterations. iteration 16: trace = 5.139784911497796 (5.06041e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 5.139784911491649 (1.19598e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.139784911490271 (2.6802e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 elapsed time for k point: 0.0594792366027832 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.321113856603153 (0.391941% change) linmin: converged after 5 iterations. iteration 2: trace = 5.31273543459494 (0.15758% change) linmin: converged after 4 iterations. iteration 3: trace = 5.309860483627236 (0.054129% change) linmin: converged after 4 iterations. iteration 4: trace = 5.30865460253759 (0.0227128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.30811010417094 (0.0102573% change) linmin: converged after 4 iterations. iteration 6: trace = 5.307980354200669 (0.0024444% change) linmin: converged after 4 iterations. iteration 7: trace = 5.30794615774418 (0.000644248% change) linmin: converged after 4 iterations. iteration 8: trace = 5.307931944059662 (0.000267782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.30792741003905 (8.54198e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 5.30792522016629 (4.12567e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.30792450832233 (1.3411e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.307924276765975 (4.36247e-06% change) linmin: converged after 11 iterations. iteration 13: trace = 5.307924196866908 (1.50528e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.307924180430647 (3.09655e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.307924176022226 (8.30536e-08% change) linmin: converged after 13 iterations. iteration 16: trace = 5.307924174763156 (2.37206e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.307924174428118 (6.31203e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.307924174351104 (1.45092e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.307924174333357 (3.3436e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.3079241743296 (7.07641e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 elapsed time for k point: 0.06619524955749512 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.565278284532583 (0.649197% change) linmin: converged after 5 iterations. iteration 2: trace = 5.539308670153495 (0.467728% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527740928004517 (0.209048% change) linmin: converged after 4 iterations. iteration 4: trace = 5.52119231461106 (0.118538% change) linmin: converged after 4 iterations. iteration 5: trace = 5.517705504983867 (0.0631731% change) linmin: converged after 4 iterations. iteration 6: trace = 5.516689861468588 (0.0184087% change) linmin: converged after 4 iterations. iteration 7: trace = 5.516225756129595 (0.0084131% change) linmin: converged after 3 iterations. iteration 8: trace = 5.515968278409327 (0.00466775% change) linmin: converged after 4 iterations. iteration 9: trace = 5.515821918920194 (0.00265341% change) linmin: converged after 7 iterations. iteration 10: trace = 5.515731715125206 (0.00163538% change) linmin: converged after 3 iterations. iteration 11: trace = 5.515703319343586 (0.000514816% change) linmin: converged after 3 iterations. iteration 12: trace = 5.515694777907218 (0.000154857% change) linmin: converged after 4 iterations. iteration 13: trace = 5.51569198306254 (5.06708e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.515691259672617 (1.31151e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.515690942868781 (5.74368e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.51569084558965 (1.76368e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.515690808935376 (6.64545e-07% change) linmin: converged after 29 iterations. iteration 18: trace = 5.51569079095453 (3.25994e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.51569078272834 (1.49142e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.515690779523196 (5.81096e-08% change) linmin: converged after 8 iterations. iteration 21: trace = 5.515690778440378 (1.96316e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.515690778101877 (6.13705e-09% change) linmin: converged after 20 iterations. iteration 23: trace = 5.515690777997043 (1.90066e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.51569077796538 (5.74047e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.515690777958354 (1.27389e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.515690777956149 (3.99832e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 elapsed time for k point: 0.08507347106933594 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.699370390343353 (1.24468% change) linmin: converged after 5 iterations. iteration 2: trace = 5.647627271005885 (0.912014% change) linmin: converged after 9 iterations. iteration 3: trace = 5.63252208373286 (0.267819% change) linmin: converged after 4 iterations. iteration 4: trace = 5.62552951882026 (0.124223% change) linmin: converged after 4 iterations. iteration 5: trace = 5.622573009119122 (0.052569% change) linmin: converged after 3 iterations. iteration 6: trace = 5.621751214744261 (0.0146171% change) linmin: converged after 3 iterations. iteration 7: trace = 5.621415490821263 (0.00597205% change) linmin: converged after 9 iterations. iteration 8: trace = 5.621208187043257 (0.00368782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.621026602496656 (0.0032304% change) linmin: converged after 4 iterations. iteration 10: trace = 5.620814125083641 (0.00378012% change) linmin: converged after 3 iterations. iteration 11: trace = 5.620629887436438 (0.00327783% change) linmin: converged after 7 iterations. iteration 12: trace = 5.620459427784636 (0.0030328% change) linmin: converged after 3 iterations. iteration 13: trace = 5.620367874577292 (0.00162894% change) linmin: converged after 3 iterations. iteration 14: trace = 5.620331402042908 (0.000648937% change) linmin: converged after 3 iterations. iteration 15: trace = 5.620316079252684 (0.000272632% change) linmin: converged after 4 iterations. iteration 16: trace = 5.62031103997582 (8.96618e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 5.620309265165606 (3.15785e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.620308520932279 (1.32419e-05% change) linmin: converged after 7 iterations. iteration 19: trace = 5.620308198035805 (5.74517e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.620308061374724 (2.43156e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.620308008166845 (9.46708e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.620307991491019 (2.96707e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.620307984134831 (1.30886e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.620307981734177 (4.27139e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 5.620307979992978 (3.09805e-08% change) linmin: converged after 8 iterations. iteration 26: trace = 5.620307977675802 (4.12286e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 5.62030797474326 (5.21776e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.620307972553187 (3.89671e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 5.620307971583566 (1.72521e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 5.620307971162819 (7.48619e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 5.6203079709569 (3.66384e-09% change) linmin: converged after 9 iterations. iteration 32: trace = 5.620307970850902 (1.88598e-09% change) linmin: converged after 10 iterations. iteration 33: trace = 5.620307970806838 (7.84019e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.620307970792952 (2.47064e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 5.620307970788173 (8.50361e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 elapsed time for k point: 0.11376810073852539 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.721397683446691 (0.88116% change) linmin: converged after 5 iterations. iteration 2: trace = 5.690132175108849 (0.547963% change) linmin: converged after 5 iterations. iteration 3: trace = 5.679949561600693 (0.179112% change) linmin: converged after 5 iterations. iteration 4: trace = 5.674005700180744 (0.104701% change) linmin: converged after 5 iterations. iteration 5: trace = 5.670491569909078 (0.061953% change) linmin: converged after 4 iterations. iteration 6: trace = 5.668987199256972 (0.0265333% change) linmin: converged after 4 iterations. iteration 7: trace = 5.668194726503535 (0.0139801% change) linmin: converged after 4 iterations. iteration 8: trace = 5.667868425634297 (0.00575686% change) linmin: converged after 4 iterations. iteration 9: trace = 5.667594186191996 (0.00483861% change) linmin: converged after 5 iterations. iteration 10: trace = 5.667311953686994 (0.00497988% change) large trace change predicted (0.0130659%) linmin: converged after 4 iterations. iteration 11: trace = 5.666577477888356 (0.0129607% change) large trace change predicted (0.253568%) linmin: converged after 10 iterations. iteration 12: trace = 5.662184718098482 (0.0775506% change) linmin: converged after 5 iterations. iteration 13: trace = 5.659157953576945 (0.0534701% change) linmin: converged after 5 iterations. iteration 14: trace = 5.656543771166633 (0.0462045% change) linmin: converged after 5 iterations. iteration 15: trace = 5.653314443339882 (0.0571064% change) linmin: converged after 6 iterations. iteration 16: trace = 5.648626313306814 (0.0829615% change) linmin: converged after 5 iterations. iteration 17: trace = 5.643821363234167 (0.0851002% change) linmin: converged after 6 iterations. iteration 18: trace = 5.638869397509292 (0.0877799% change) linmin: converged after 6 iterations. iteration 19: trace = 5.635889317433015 (0.0528629% change) linmin: converged after 7 iterations. iteration 20: trace = 5.63393489491962 (0.0346842% change) linmin: converged after 4 iterations. iteration 21: trace = 5.632971468037331 (0.0171019% change) linmin: converged after 4 iterations. iteration 22: trace = 5.632161076469179 (0.0143876% change) linmin: converged after 4 iterations. iteration 23: trace = 5.63151624016928 (0.0114498% change) linmin: converged after 4 iterations. iteration 24: trace = 5.630961940296936 (0.0098433% change) linmin: converged after 4 iterations. iteration 25: trace = 5.630499098024456 (0.00821993% change) linmin: converged after 4 iterations. iteration 26: trace = 5.630122619588494 (0.00668664% change) linmin: converged after 3 iterations. iteration 27: trace = 5.629867621832449 (0.00452927% change) linmin: converged after 3 iterations. iteration 28: trace = 5.629720051203279 (0.00262124% change) linmin: converged after 3 iterations. iteration 29: trace = 5.62960577704948 (0.00202986% change) linmin: converged after 3 iterations. iteration 30: trace = 5.629504361168565 (0.00180149% change) linmin: converged after 3 iterations. iteration 31: trace = 5.629394147451477 (0.00195781% change) linmin: converged after 4 iterations. iteration 32: trace = 5.629290226392969 (0.00184606% change) linmin: converged after 4 iterations. iteration 33: trace = 5.629198024981242 (0.0016379% change) linmin: converged after 3 iterations. iteration 34: trace = 5.629133733956371 (0.00114211% change) linmin: converged after 3 iterations. iteration 35: trace = 5.629086222964411 (0.000844023% change) linmin: converged after 3 iterations. iteration 36: trace = 5.629045867564224 (0.000716911% change) linmin: converged after 3 iterations. iteration 37: trace = 5.629010408054762 (0.00062994% change) linmin: converged after 3 iterations. iteration 38: trace = 5.628979004567635 (0.000557888% change) linmin: converged after 3 iterations. iteration 39: trace = 5.628952468539465 (0.000471419% change) linmin: converged after 3 iterations. iteration 40: trace = 5.62893221276024 (0.000359851% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628917703760266 (0.000257758% change) linmin: converged after 4 iterations. iteration 42: trace = 5.628904770131388 (0.000229771% change) linmin: converged after 4 iterations. iteration 43: trace = 5.628894295237322 (0.000186091% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628885548975525 (0.000155382% change) linmin: converged after 4 iterations. iteration 45: trace = 5.628880125203513 (9.63561e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 5.628876480395514 (6.47519e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 5.62887385527329 (4.66367e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 5.628871914587953 (3.44773e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 5.628870173455476 (3.09322e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 5.628868872042864 (2.31203e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 5.628867792579468 (1.91773e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 5.628867067350733 (1.28841e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 5.628866472394931 (1.05697e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 5.62886603893755 (7.70062e-06% change) linmin: converged after 2 iterations. iteration 55: trace = 5.62886573363008 (5.42396e-06% change) linmin: converged after 2 iterations. iteration 56: trace = 5.628865472838771 (4.63311e-06% change) linmin: converged after 3 iterations. iteration 57: trace = 5.628865257055425 (3.83351e-06% change) linmin: converged after 2 iterations. iteration 58: trace = 5.628865067351745 (3.37019e-06% change) linmin: converged after 3 iterations. iteration 59: trace = 5.628864923865831 (2.54911e-06% change) linmin: converged after 7 iterations. iteration 60: trace = 5.628864787389207 (2.42459e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 5.628864676742341 (1.9657e-06% change) linmin: converged after 2 iterations. iteration 62: trace = 5.628864577628915 (1.76081e-06% change) linmin: converged after 2 iterations. iteration 63: trace = 5.628864491681037 (1.52691e-06% change) linmin: converged after 3 iterations. iteration 64: trace = 5.62886442356569 (1.21011e-06% change) linmin: converged after 2 iterations. iteration 65: trace = 5.628864369045474 (9.68583e-07% change) linmin: converged after 6 iterations. iteration 66: trace = 5.628864328357649 (7.22843e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 5.628864294910065 (5.94215e-07% change) linmin: converged after 2 iterations. iteration 68: trace = 5.628864268960117 (4.61016e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 5.628864245245671 (4.21301e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 5.628864210818001 (6.11627e-07% change) linmin: converged after 2 iterations. iteration 71: trace = 5.628864185805083 (4.44369e-07% change) linmin: converged after 3 iterations. iteration 72: trace = 5.62886417649749 (1.65355e-07% change) linmin: converged after 3 iterations. iteration 73: trace = 5.62886417232996 (7.40386e-08% change) linmin: converged after 2 iterations. iteration 74: trace = 5.628864170611668 (3.05264e-08% change) linmin: converged after 3 iterations. iteration 75: trace = 5.628864170125662 (8.63417e-09% change) linmin: converged after 2 iterations. iteration 76: trace = 5.628864169899495 (4.01798e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 5.628864169746248 (2.72252e-09% change) linmin: converged after 5 iterations. iteration 78: trace = 5.628864169565651 (3.20841e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 5.628864169372569 (3.43023e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 5.628864169215252 (2.79482e-09% change) linmin: converged after 8 iterations. iteration 81: trace = 5.628864169115525 (1.7717e-09% change) linmin: converged after 3 iterations. iteration 82: trace = 5.628864169056971 (1.04025e-09% change) linmin: converged after 11 iterations. iteration 83: trace = 5.628864169025799 (5.53796e-10% change) linmin: converged after 3 iterations. iteration 84: trace = 5.628864169015145 (1.89269e-10% change) linmin: converged after 3 iterations. iteration 85: trace = 5.628864169011917 (5.73409e-11% change) Finished solving for bands 2 to 8 after 85 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.2226088047027588 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219018 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067495 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519592 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470327 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911942 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6793887413076379 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8304573822339184 at Vector3<0.3, 0.3, 0.0> to 0.924371683058559 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8957817684117539 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200458 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8957868745330794 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221035 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.097416809585407 at Vector3<0.5, 0.0, 0.0> to 1.128012764811995 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5943440245519592) to band 3 (0.5943566394470327), 0.0021224679106323554% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339184), 1.586071064729172% Gap from band 7 (1.0958021492221035) to band 8 (1.097416809585407), 0.14724114588007364% total elapsed time for run: 1.925797700881958 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013689994812011719 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.65344660078471 (194.937% change) linmin: converged after 7 iterations. iteration 2: trace = 5.609537790902672 (83.5167% change) linmin: converged after 6 iterations. iteration 3: trace = 4.870968737369703 (14.0941% change) linmin: converged after 6 iterations. iteration 4: trace = 4.592889108403792 (5.87667% change) linmin: converged after 5 iterations. iteration 5: trace = 4.517375695716687 (1.65777% change) linmin: converged after 5 iterations. iteration 6: trace = 4.501941736249235 (0.342242% change) linmin: converged after 5 iterations. iteration 7: trace = 4.497232324294318 (0.104663% change) linmin: converged after 5 iterations. iteration 8: trace = 4.494705098196539 (0.0562109% change) linmin: converged after 5 iterations. iteration 9: trace = 4.493491980362646 (0.0269936% change) linmin: converged after 3 iterations. iteration 10: trace = 4.491945491445946 (0.0344221% change) linmin: converged after 5 iterations. iteration 11: trace = 4.488917948171112 (0.0674221% change) linmin: converged after 5 iterations. iteration 12: trace = 4.485988456176244 (0.0652818% change) linmin: converged after 5 iterations. iteration 13: trace = 4.484190937558812 (0.0400777% change) linmin: converged after 3 iterations. iteration 14: trace = 4.48386913487522 (0.00717664% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483819386025643 (0.00110951% change) linmin: converged after 5 iterations. iteration 16: trace = 4.483805975020271 (0.000299098% change) linmin: converged after 5 iterations. iteration 17: trace = 4.48380114171588 (0.000107795% change) linmin: converged after 10 iterations. iteration 18: trace = 4.483800147423096 (2.21752e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.483799826914352 (7.14815e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 4.483799489839024 (7.51763e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.483798967853178 (1.16416e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.483798525218377 (9.87187e-06% change) linmin: converged after 8 iterations. iteration 23: trace = 4.483798337445188 (4.18782e-06% change) linmin: converged after 7 iterations. iteration 24: trace = 4.483798287890266 (1.1052e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 4.483798277712628 (2.26987e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.483798275623183 (4.65999e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.483798275083284 (1.20411e-08% change) linmin: converged after 18 iterations. iteration 28: trace = 4.483798274909358 (3.879e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.483798274857846 (1.14884e-09% change) linmin: converged after 10 iterations. iteration 30: trace = 4.483798274835885 (4.89788e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.4837982747952 (9.07373e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 4.483798274730355 (1.44621e-09% change) linmin: converged after 6 iterations. iteration 33: trace = 4.483798274703627 (5.96101e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 4.483798274697107 (1.45415e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.48379827469335 (8.37904e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 elapsed time for k point: 0.09333491325378418 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.47117509170385 (1.08128% change) linmin: converged after 4 iterations. iteration 2: trace = 4.432523987969934 (0.868203% change) linmin: converged after 5 iterations. iteration 3: trace = 4.413416315925295 (0.43201% change) linmin: converged after 4 iterations. iteration 4: trace = 4.404296019479978 (0.206863% change) linmin: converged after 5 iterations. iteration 5: trace = 4.401461350048561 (0.0643822% change) linmin: converged after 5 iterations. iteration 6: trace = 4.399788733721918 (0.0380086% change) linmin: converged after 5 iterations. iteration 7: trace = 4.398929457669709 (0.0195318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.398458753658963 (0.010701% change) linmin: converged after 4 iterations. iteration 9: trace = 4.398236171477376 (0.00506059% change) linmin: converged after 4 iterations. iteration 10: trace = 4.398175740996535 (0.00137398% change) linmin: converged after 5 iterations. iteration 11: trace = 4.398161708582171 (0.000319051% change) linmin: converged after 5 iterations. iteration 12: trace = 4.398157649223499 (9.22968e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.398156557280681 (2.48273e-05% change) linmin: converged after 14 iterations. iteration 14: trace = 4.398156022880001 (1.21506e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.39815575235398 (6.1509e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.398155622498218 (2.9525e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.398155576367896 (1.04886e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.398155552776307 (5.36397e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 4.398155541734073 (2.51065e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.398155536009729 (1.30153e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.398155534105945 (4.3286e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.398155533748286 (8.13204e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 4.398155533692945 (1.25827e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 4.398155533670937 (5.00396e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.398155533656857 (3.20121e-10% change) linmin: converged after 8 iterations. iteration 26: trace = 4.39815553365001 (1.55698e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.398155533647456 (5.80587e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 elapsed time for k point: 0.08823704719543457 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.319158064832369 (0.507573% change) linmin: converged after 4 iterations. iteration 2: trace = 4.315195172035457 (0.0917936% change) linmin: converged after 4 iterations. iteration 3: trace = 4.314652488861989 (0.0125769% change) linmin: converged after 4 iterations. iteration 4: trace = 4.314511296930288 (0.00327244% change) linmin: converged after 4 iterations. iteration 5: trace = 4.314475376819518 (0.000832545% change) linmin: converged after 5 iterations. iteration 6: trace = 4.314467154448444 (0.000190577% change) linmin: converged after 2 iterations. iteration 7: trace = 4.314465990301333 (2.69824e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.31446586390868 (2.92951e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.314465856457112 (1.72711e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.31446585576822 (1.5967e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.314465855720847 (1.098e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.314465855716318 (1.04989e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.31446585571558 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 elapsed time for k point: 0.04364895820617676 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.259813230869057 (0.437307% change) linmin: converged after 4 iterations. iteration 2: trace = 4.256808525762702 (0.070561% change) linmin: converged after 4 iterations. iteration 3: trace = 4.256424318461065 (0.00902612% change) linmin: converged after 4 iterations. iteration 4: trace = 4.256370493922877 (0.00126456% change) linmin: converged after 5 iterations. iteration 5: trace = 4.256364774302127 (0.000134378% change) linmin: converged after 2 iterations. iteration 6: trace = 4.256364062218789 (1.67298e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.256363946820415 (2.7112e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.256363898709568 (1.13033e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.256363889801436 (2.0929e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.256363888602306 (2.81727e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.256363888506427 (2.2526e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.256363888498841 (1.78226e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.256363888498332 (1.19568e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 elapsed time for k point: 0.043434858322143555 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.230445167891604 (0.428208% change) linmin: converged after 4 iterations. iteration 2: trace = 4.226884659314516 (0.0841994% change) linmin: converged after 4 iterations. iteration 3: trace = 4.226277772317788 (0.0143588% change) linmin: converged after 8 iterations. iteration 4: trace = 4.226142669225807 (0.00319679% change) linmin: converged after 5 iterations. iteration 5: trace = 4.226108930204354 (0.000798344% change) linmin: converged after 4 iterations. iteration 6: trace = 4.226098815419109 (0.000239341% change) linmin: converged after 4 iterations. iteration 7: trace = 4.226095681906936 (7.41467e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.226095353849791 (7.76265e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.226095326529167 (6.46474e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.226095324571847 (4.63151e-08% change) linmin: converged after 6 iterations. iteration 11: trace = 4.226095324437822 (3.17135e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.226095324430023 (1.84546e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.226095324429568 (1.07605e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 elapsed time for k point: 0.04353690147399902 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.224590436596976 (0.46166% change) linmin: converged after 5 iterations. iteration 2: trace = 4.219402634957612 (0.122876% change) linmin: converged after 4 iterations. iteration 3: trace = 4.218303323951641 (0.0260571% change) linmin: converged after 10 iterations. iteration 4: trace = 4.217912996839637 (0.00925361% change) linmin: converged after 5 iterations. iteration 5: trace = 4.217806962656632 (0.00251393% change) linmin: converged after 9 iterations. iteration 6: trace = 4.217779234764804 (0.000657403% change) linmin: converged after 4 iterations. iteration 7: trace = 4.217772706280908 (0.000154785% change) linmin: converged after 2 iterations. iteration 8: trace = 4.217772221251987 (1.14996e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.217772182111439 (9.27991e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.217772179564777 (6.03793e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.217772179377826 (4.43248e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.217772179362668 (3.59376e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.217772179355181 (1.77498e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 4.217772179352377 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 elapsed time for k point: 0.04663586616516113 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.216167442451164 (0.906425% change) linmin: converged after 5 iterations. iteration 2: trace = 4.207075518579895 (0.215877% change) linmin: converged after 4 iterations. iteration 3: trace = 4.205560118729062 (0.0360268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.20543792525936 (0.00290556% change) linmin: converged after 5 iterations. iteration 5: trace = 4.205424978514317 (0.000307858% change) linmin: converged after 29 iterations. iteration 6: trace = 4.205423872193348 (2.6307e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.205423830220985 (9.98053e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 4.205423828175205 (4.86462e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.205423828042199 (3.16274e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.205423828029007 (3.13693e-10% change) linmin: converged after 6 iterations. iteration 11: trace = 4.205423828027399 (3.82269e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 elapsed time for k point: 0.03736424446105957 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.188511643576091 (0.767217% change) linmin: converged after 5 iterations. iteration 2: trace = 4.183271740703043 (0.12518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.182635593295243 (0.0152081% change) linmin: converged after 5 iterations. iteration 4: trace = 4.182595255887836 (0.000964406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.182592616911325 (6.30943e-05% change) linmin: converged after 33 iterations. iteration 6: trace = 4.182592321790135 (7.05594e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 4.182592286855638 (8.35236e-07% change) linmin: converged after 19 iterations. iteration 8: trace = 4.182592281925398 (1.17875e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.182592281109054 (1.95177e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.182592281032474 (1.83091e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.182592281023937 (2.04112e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.182592281022643 (3.09396e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 elapsed time for k point: 0.04050588607788086 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.172248021921067 (0.635399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168646425845074 (0.0863599% change) linmin: converged after 4 iterations. iteration 3: trace = 4.16797869350233 (0.0160192% change) linmin: converged after 4 iterations. iteration 4: trace = 4.167833298187497 (0.00348845% change) linmin: converged after 4 iterations. iteration 5: trace = 4.167813086647444 (0.000484942% change) linmin: converged after 5 iterations. iteration 6: trace = 4.167811349625674 (4.16771e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.167811247608131 (2.44775e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.167811240546714 (1.69427e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.167811239437253 (2.66198e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.167811239290017 (3.53269e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.167811239280089 (2.38187e-10% change) linmin: converged after 8 iterations. iteration 12: trace = 4.167811239279438 (1.56419e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 elapsed time for k point: 0.040224313735961914 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.175020794659225 (0.559983% change) linmin: converged after 5 iterations. iteration 2: trace = 4.171453968416325 (0.085469% change) linmin: converged after 5 iterations. iteration 3: trace = 4.169838633398401 (0.038731% change) linmin: converged after 5 iterations. iteration 4: trace = 4.169126573577484 (0.0170779% change) linmin: converged after 4 iterations. iteration 5: trace = 4.169030186733768 (0.00231195% change) linmin: converged after 5 iterations. iteration 6: trace = 4.16902380410991 (0.000153096% change) linmin: converged after 5 iterations. iteration 7: trace = 4.169023362478125 (1.05932e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.169023324272549 (9.16416e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.169023320812347 (8.29979e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.169023319376684 (3.44364e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.169023318807238 (1.3659e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.169023318685015 (2.93168e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.169023318668819 (3.88483e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.169023318668043 (1.86199e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 elapsed time for k point: 0.046538352966308594 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.196748230141918 (0.499327% change) linmin: converged after 5 iterations. iteration 2: trace = 4.191391085979967 (0.127731% change) linmin: converged after 6 iterations. iteration 3: trace = 4.184065231778533 (0.174936% change) linmin: converged after 5 iterations. iteration 4: trace = 4.179418151111563 (0.111128% change) linmin: converged after 4 iterations. iteration 5: trace = 4.178708162121 (0.0169892% change) linmin: converged after 4 iterations. iteration 6: trace = 4.178675276778256 (0.000786977% change) linmin: converged after 5 iterations. iteration 7: trace = 4.178673354488494 (4.60024e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.178673127808471 (5.42469e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.178673067930245 (1.43295e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.178672983680849 (2.01618e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.178672966328831 (4.15252e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.178672965170099 (2.77297e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.178672965096586 (1.75924e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.178672965089365 (1.72803e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.178672965088623 (1.77692e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 elapsed time for k point: 0.049826860427856445 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.215590647524031 (1.05654% change) linmin: converged after 10 iterations. iteration 2: trace = 4.183207287460688 (0.771143% change) linmin: converged after 6 iterations. iteration 3: trace = 4.156607860607693 (0.63789% change) linmin: converged after 5 iterations. iteration 4: trace = 4.145125801931357 (0.276618% change) linmin: converged after 5 iterations. iteration 5: trace = 4.141661343321531 (0.083614% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141092875796296 (0.0137265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.141018445194859 (0.00179738% change) linmin: converged after 5 iterations. iteration 8: trace = 4.141013513514405 (0.000119093% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141012954787888 (1.34925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.141012717733229 (5.72456e-06% change) linmin: converged after 11 iterations. iteration 11: trace = 4.141012607970374 (2.65063e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.141012579996667 (6.75528e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.141012578178469 (4.39071e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.141012578052824 (3.03415e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.141012578041202 (2.80652e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.141012578036988 (1.01772e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.14101257803556 (3.44889e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 elapsed time for k point: 0.056206464767456055 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.147564043481693 (0.875199% change) linmin: converged after 5 iterations. iteration 2: trace = 4.142071403504552 (0.132518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.141407784545613 (0.0160227% change) linmin: converged after 14 iterations. iteration 4: trace = 4.141348425305269 (0.00143332% change) linmin: converged after 5 iterations. iteration 5: trace = 4.141332888571218 (0.000375162% change) linmin: converged after 5 iterations. iteration 6: trace = 4.141330631750844 (5.4495e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.141330428051608 (4.91869e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.141330407855833 (4.87664e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141330405897514 (4.72872e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.141330405721697 (4.24542e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.141330405701249 (4.93767e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.14133040570003 (2.94249e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 elapsed time for k point: 0.04039883613586426 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.219183998789268 (0.838948% change) linmin: converged after 5 iterations. iteration 2: trace = 4.214112239631161 (0.120279% change) linmin: converged after 4 iterations. iteration 3: trace = 4.213587255840629 (0.0124585% change) linmin: converged after 4 iterations. iteration 4: trace = 4.213533983072801 (0.00126432% change) linmin: converged after 5 iterations. iteration 5: trace = 4.213522375060026 (0.000275494% change) linmin: converged after 2 iterations. iteration 6: trace = 4.213521453044298 (2.18823e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.21352138376677 (1.64417e-06% change) linmin: converged after 29 iterations. iteration 8: trace = 4.213521376642288 (1.69086e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.213521376039916 (1.42962e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.213521375952428 (2.07635e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.213521375942169 (2.43486e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.213521375941404 (1.81492e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 elapsed time for k point: 0.040396690368652344 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.354935285252275 (0.903179% change) linmin: converged after 5 iterations. iteration 2: trace = 4.347005534771354 (0.182252% change) linmin: converged after 4 iterations. iteration 3: trace = 4.345758802079407 (0.0286844% change) linmin: converged after 4 iterations. iteration 4: trace = 4.345492824185595 (0.00612059% change) linmin: converged after 4 iterations. iteration 5: trace = 4.345439182323275 (0.00123443% change) linmin: converged after 5 iterations. iteration 6: trace = 4.345428859007479 (0.000237567% change) linmin: converged after 6 iterations. iteration 7: trace = 4.345426500208693 (5.42823e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.345426131439357 (8.48638e-06% change) linmin: converged after 17 iterations. iteration 9: trace = 4.345426090356747 (9.45422e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.345426086357088 (9.2043e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.34542608605445 (6.96454e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.345426086022092 (7.44627e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.345426086018986 (7.1497e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 elapsed time for k point: 0.043578147888183594 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.518149969222198 (1.13355% change) linmin: converged after 5 iterations. iteration 2: trace = 4.499734133170298 (0.408429% change) linmin: converged after 5 iterations. iteration 3: trace = 4.495250492449571 (0.099692% change) linmin: converged after 4 iterations. iteration 4: trace = 4.493713193153424 (0.0342041% change) linmin: converged after 4 iterations. iteration 5: trace = 4.492592218712791 (0.0249485% change) large trace change predicted (0.050791%) linmin: converged after 4 iterations. iteration 6: trace = 4.490355890858018 (0.0497905% change) linmin: converged after 5 iterations. iteration 7: trace = 4.487337847436465 (0.0672343% change) linmin: converged after 5 iterations. iteration 8: trace = 4.485431457992108 (0.0424928% change) linmin: converged after 4 iterations. iteration 9: trace = 4.484262744539711 (0.0260592% change) linmin: converged after 3 iterations. iteration 10: trace = 4.483883370910918 (0.00846047% change) linmin: converged after 3 iterations. iteration 11: trace = 4.483810183156654 (0.00163225% change) linmin: converged after 4 iterations. iteration 12: trace = 4.483801839966898 (0.000186074% change) linmin: converged after 3 iterations. iteration 13: trace = 4.483800541625655 (2.89563e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.48380018565615 (7.93901e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483799885096502 (6.70323e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 4.483799578938856 (6.82808e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.483799309165798 (6.01662e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 4.483798916289055 (8.76214e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.483798783128174 (2.96982e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.483798762624252 (4.57289e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.483798756127834 (1.44886e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.483798754611385 (3.38206e-08% change) linmin: converged after 15 iterations. iteration 23: trace = 4.483798754481978 (2.88612e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.483798754451529 (6.79079e-10% change) linmin: converged after 11 iterations. iteration 25: trace = 4.483798754422116 (6.55982e-10% change) linmin: converged after 8 iterations. iteration 26: trace = 4.483798754387671 (7.68218e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 4.483798754356928 (6.85636e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 4.483798754303908 (1.1825e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 4.48379875427857 (5.6508e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 4.483798754271722 (1.52744e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.483798754265766 (1.32817e-10% change) large trace change predicted (4.8196e-10%) linmin: converged after 6 iterations. iteration 32: trace = 4.483798754244152 (4.82062e-10% change) large trace change predicted (2.6894e-09%) linmin: converged after 2 iterations. iteration 33: trace = 4.483798754123567 (2.68934e-09% change) large trace change predicted (9.03518e-09%) linmin: converged after 5 iterations. iteration 34: trace = 4.483798753718449 (9.03516e-09% change) large trace change predicted (3.80042e-08%) linmin: converged after 3 iterations. iteration 35: trace = 4.483798752014425 (3.8004e-08% change) large trace change predicted (1.44447e-07%) linmin: converged after 5 iterations. iteration 36: trace = 4.483798745538273 (1.44434e-07% change) large trace change predicted (4.63378e-07%) linmin: converged after 6 iterations. iteration 37: trace = 4.48379872477563 (4.63059e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 4.483798696719777 (6.25716e-07% change) linmin: converged after 14 iterations. iteration 39: trace = 4.483798668072068 (6.38916e-07% change) linmin: converged after 7 iterations. iteration 40: trace = 4.483798643130926 (5.5625e-07% change) linmin: converged after 6 iterations. iteration 41: trace = 4.483798621858712 (4.74424e-07% change) large trace change predicted (1.35926e-06%) linmin: converged after 12 iterations. iteration 42: trace = 4.483798561180511 (1.35328e-06% change) large trace change predicted (5.83318e-06%) linmin: converged after 6 iterations. iteration 43: trace = 4.483798313956219 (5.51372e-06% change) linmin: converged after 7 iterations. iteration 44: trace = 4.483798101265305 (4.74354e-06% change) linmin: converged after 9 iterations. iteration 45: trace = 4.483798058281495 (9.58647e-07% change) linmin: converged after 7 iterations. iteration 46: trace = 4.483798047911615 (2.31274e-07% change) linmin: converged after 10 iterations. iteration 47: trace = 4.483798039715489 (1.82794e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.483798036699957 (6.7254e-08% change) linmin: converged after 6 iterations. iteration 49: trace = 4.483798033244328 (7.70692e-08% change) linmin: converged after 11 iterations. iteration 50: trace = 4.483798027631948 (1.2517e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.483798025313344 (5.17107e-08% change) linmin: converged after 7 iterations. iteration 52: trace = 4.483798024489732 (1.83686e-08% change) linmin: converged after 13 iterations. iteration 53: trace = 4.483798024240048 (5.56858e-09% change) linmin: converged after 2 iterations. iteration 54: trace = 4.483798024202118 (8.45947e-10% change) linmin: converged after 4 iterations. iteration 55: trace = 4.483798024192735 (2.09258e-10% change) linmin: converged after 18 iterations. iteration 56: trace = 4.483798024185385 (1.63916e-10% change) large trace change predicted (3.44338e-10%) linmin: converged after 7 iterations. iteration 57: trace = 4.483798024169943 (3.44412e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 4.483798024159209 (2.39387e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.48379802415644 (6.17633e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 .elapsed time for k point: 0.15495538711547852 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975133 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831293 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5029830978365978 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128112 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5613397939889752 at Vector3<0.0, 0.0, 0.0> to 0.7200918204564002 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7472029910480837 at Vector3<0.5, 0.0, 0.0> to 0.874359380500508 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8404509697526804 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822797 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8770118718330774 at Vector3<0.5, 0.0, 0.0> to 0.965325380898161 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8929933495598094 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093362 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965476) to band 2 (0.42065733839975133), 38.14282289547772% Gap from band 4 (0.7200918204564002) to band 5 (0.7472029910480837), 3.695395142014472% total elapsed time for run: 0.9112875461578369 done /tmp/meepREy4kN/test_sq_rods-0: 2.84s /tmp/meepREy4kN/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 1 x 64 x 64. Solving for 4 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 2, 0) (0, 0, 2) Cell volume = 4 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 0.5, -0) (0, -0, 0.5) Geometric objects: block, center = (0,0,0.5625) size (1e+20,1e+20,0.875) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,0.3,0.25) axes (1,0,0), (0,1,0), (0,0,1) Geometric object tree has depth 2 and 8 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 11 k-points Vector3<0.1, 0.0, 0.0> Vector3<0.39, 0.0, 0.0> Vector3<0.6799999999999999, 0.0, 0.0> Vector3<0.9699999999999999, 0.0, 0.0> Vector3<1.26, 0.0, 0.0> Vector3<1.55, 0.0, 0.0> Vector3<1.8399999999999999, 0.0, 0.0> Vector3<2.13, 0.0, 0.0> Vector3<2.42, 0.0, 0.0> Vector3<2.71, 0.0, 0.0> Vector3<3.0, 0.0, 0.0> elapsed time for initialization: 0.0041429996490478516 solve_kpoint (0.1,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4 Solving for bands 1 to 4... near maximum in trace linmin: converged after 15 iterations. iteration 1: trace = 0.9888324390218044 (199.208% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3275386403031393 (100.472% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2964736897935054 (9.95652% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2766924976907892 (6.90243% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2726168891851928 (1.4839% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2709568969210187 (0.61077% change) linmin: converged after 5 iterations. iteration 7: trace = 0.270421571645273 (0.197764% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2698420362472927 (0.214538% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2692566677135553 (0.217166% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2688723160972978 (0.142847% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2687479778755979 (0.046255% change) linmin: converged after 7 iterations. iteration 12: trace = 0.2687078756607025 (0.014923% change) linmin: converged after 13 iterations. iteration 13: trace = 0.2686863756597033 (0.00800157% change) linmin: converged after 4 iterations. iteration 14: trace = 0.2686684185723042 (0.00668351% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2686570148093189 (0.00424464% change) linmin: converged after 5 iterations. iteration 16: trace = 0.2686528052174897 (0.00156691% change) linmin: converged after 5 iterations. iteration 17: trace = 0.268650950503293 (0.000690378% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2686504308755131 (0.000193421% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2686501381174944 (0.000108974% change) linmin: converged after 5 iterations. iteration 20: trace = 0.2686498488710397 (0.000107667% change) linmin: converged after 4 iterations. iteration 21: trace = 0.2686495704062641 (0.000103653% change) linmin: converged after 6 iterations. iteration 22: trace = 0.2686494341955125 (5.0702e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.2686493830083235 (1.90535e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 0.2686493569010618 (9.71797e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.2686493401671162 (6.22892e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 0.2686493260250872 (5.26412e-06% change) linmin: converged after 12 iterations. iteration 27: trace = 0.2686493177549078 (3.07843e-06% change) linmin: converged after 9 iterations. iteration 28: trace = 0.2686493141307413 (1.34903e-06% change) linmin: converged after 15 iterations. iteration 29: trace = 0.2686493133317409 (2.97414e-07% change) linmin: converged after 7 iterations. iteration 30: trace = 0.2686493131406225 (7.11405e-08% change) linmin: converged after 9 iterations. iteration 31: trace = 0.2686493130940624 (1.73312e-08% change) linmin: converged after 6 iterations. iteration 32: trace = 0.268649313082798 (4.19299e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 0.2686493130763812 (2.38853e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.2686493130708934 (2.04275e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 0.2686493130667944 (1.52578e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.2686493130651829 (5.99848e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.2686493130645911 (2.20289e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.2686493130640042 (2.1847e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.2686493130635511 (1.68673e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 0.2686493130631626 (1.44579e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 0.2686493130629992 (6.0832e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 elapsed time for k point: 0.24048590660095215 zparity:, 1, 0.991845764322559, -0.9993165778921825, 0.9263952713918745, 0.734287985500236 yparity:, 1, -0.9999999941669303, 0.9999999948774843, 0.9999993171367377, -0.999990343487298 solve_kpoint (0.39,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 0.6221572131381576 (6.85988% change) linmin: converged after 4 iterations. iteration 2: trace = 0.6115306387019994 (1.72273% change) linmin: converged after 5 iterations. iteration 3: trace = 0.6092236100640738 (0.377968% change) linmin: converged after 5 iterations. iteration 4: trace = 0.6078935744602465 (0.218555% change) linmin: converged after 5 iterations. iteration 5: trace = 0.6073391521679113 (0.0912455% change) linmin: converged after 4 iterations. iteration 6: trace = 0.6070826550178682 (0.0422419% change) linmin: converged after 4 iterations. iteration 7: trace = 0.6070081174319568 (0.0122788% change) linmin: converged after 4 iterations. iteration 8: trace = 0.6069403390784771 (0.0111666% change) linmin: converged after 4 iterations. iteration 9: trace = 0.6069054512212717 (0.00574832% change) linmin: converged after 4 iterations. iteration 10: trace = 0.6068924091656944 (0.00214897% change) linmin: converged after 4 iterations. iteration 11: trace = 0.6068870095060079 (0.000889727% change) linmin: converged after 4 iterations. iteration 12: trace = 0.6068853033452281 (0.000281134% change) linmin: converged after 4 iterations. iteration 13: trace = 0.6068844690828896 (0.000137466% change) linmin: converged after 4 iterations. iteration 14: trace = 0.6068841755207711 (4.8372e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 0.6068840418585739 (2.20243e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 0.6068839789046552 (1.03733e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.6068839547900675 (3.97351e-06% change) linmin: converged after 15 iterations. iteration 18: trace = 0.6068839452457329 (1.57268e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.6068839423137347 (4.83123e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.6068839407794916 (2.52807e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.6068839400027517 (1.27988e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.6068839396340783 (6.07486e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.6068839395282147 (1.74438e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 0.6068839394969752 (5.14754e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 0.6068839394888997 (1.33064e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 0.6068839394859056 (4.93366e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 0.6068839394838392 (3.40485e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.6068839394826193 (2.01013e-10% change) linmin: converged after 8 iterations. iteration 29: trace = 0.6068839394820106 (1.00305e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 0.6068839394817216 (4.76188e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 elapsed time for k point: 0.17806363105773926 zparity:, 2, 0.8497976290527355, -0.8562083115829646, 0.613504714456493, 0.7040493643450679 yparity:, 2, -0.9999999782411549, 0.9999997901628059, 1.000005868341607, -0.9999353452610711 solve_kpoint (0.68,0,0): Solving for bands 1 to 4... linmin: converged after 6 iterations. iteration 1: trace = 1.264470565181613 (5.39004% change) linmin: converged after 6 iterations. iteration 2: trace = 1.235883601229645 (2.28663% change) linmin: converged after 5 iterations. iteration 3: trace = 1.224582577450968 (0.918608% change) linmin: converged after 5 iterations. iteration 4: trace = 1.218161286419984 (0.525744% change) linmin: converged after 5 iterations. iteration 5: trace = 1.214962361809651 (0.262948% change) linmin: converged after 4 iterations. iteration 6: trace = 1.212817357015784 (0.176705% change) linmin: converged after 5 iterations. iteration 7: trace = 1.211094436566093 (0.14216% change) linmin: converged after 5 iterations. iteration 8: trace = 1.209359468510491 (0.143359% change) linmin: converged after 4 iterations. iteration 9: trace = 1.208547294324885 (0.0671799% change) linmin: converged after 4 iterations. iteration 10: trace = 1.208042238043626 (0.0417991% change) linmin: converged after 3 iterations. iteration 11: trace = 1.207823296097657 (0.0181253% change) linmin: converged after 4 iterations. iteration 12: trace = 1.207749466955793 (0.00611276% change) linmin: converged after 4 iterations. iteration 13: trace = 1.207719818833629 (0.00245485% change) linmin: converged after 4 iterations. iteration 14: trace = 1.207710829504941 (0.000744325% change) linmin: converged after 4 iterations. iteration 15: trace = 1.207706751669003 (0.000337651% change) linmin: converged after 6 iterations. iteration 16: trace = 1.207705249394497 (0.000124391% change) linmin: converged after 4 iterations. iteration 17: trace = 1.207704786572437 (3.83224e-05% change) linmin: converged after 15 iterations. iteration 18: trace = 1.207704628833395 (1.30611e-05% change) linmin: converged after 17 iterations. iteration 19: trace = 1.207704566628019 (5.15071e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.207704535783024 (2.55402e-06% change) linmin: converged after 9 iterations. iteration 21: trace = 1.207704518965968 (1.39248e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.207704506350417 (1.04459e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.207704497493669 (7.33354e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.20770449198717 (4.55948e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.207704488731007 (2.69616e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 1.207704487630344 (9.11368e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.207704487187936 (3.66322e-08% change) linmin: converged after 19 iterations. iteration 28: trace = 1.207704487019392 (1.39558e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.207704486953282 (5.474e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 1.207704486927158 (2.16307e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 1.207704486920011 (5.91798e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.207704486917498 (2.08052e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 1.207704486916823 (5.59108e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 elapsed time for k point: 0.19578289985656738 zparity:, 3, 0.6430471097756447, -0.5132970565001864, 0.749333227902697, -0.5174581396280994 yparity:, 3, -1.0000092437102739, 0.9999867307863455, -0.9999773484878718, 0.9999739527336347 solve_kpoint (0.97,0,0): Solving for bands 1 to 4... linmin: converged after 6 iterations. iteration 1: trace = 1.937534840468752 (4.15315% change) linmin: converged after 6 iterations. iteration 2: trace = 1.902810987183435 (1.80837% change) linmin: converged after 5 iterations. iteration 3: trace = 1.89274028835154 (0.530658% change) linmin: converged after 5 iterations. iteration 4: trace = 1.888078677878067 (0.246593% change) linmin: converged after 5 iterations. iteration 5: trace = 1.885790637832564 (0.121257% change) linmin: converged after 4 iterations. iteration 6: trace = 1.884495797860613 (0.0686866% change) linmin: converged after 4 iterations. iteration 7: trace = 1.883742431334522 (0.0399851% change) linmin: converged after 4 iterations. iteration 8: trace = 1.883417285430755 (0.0172621% change) linmin: converged after 4 iterations. iteration 9: trace = 1.883289886588927 (0.00676447% change) linmin: converged after 4 iterations. iteration 10: trace = 1.883239300159769 (0.0026861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.883213276357905 (0.00138187% change) linmin: converged after 4 iterations. iteration 12: trace = 1.883202552103174 (0.000569467% change) linmin: converged after 5 iterations. iteration 13: trace = 1.883195968261392 (0.000349609% change) linmin: converged after 5 iterations. iteration 14: trace = 1.883193887272418 (0.000110503% change) linmin: converged after 4 iterations. iteration 15: trace = 1.883193169554699 (3.81117e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 1.883192877574137 (1.55045e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.88319279458978 (4.40658e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.883192759151877 (1.8818e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.883192748042752 (5.89909e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 1.883192744742938 (1.75224e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 1.883192743542448 (6.37476e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.883192743093157 (2.38579e-08% change) linmin: converged after 11 iterations. iteration 23: trace = 1.883192742911179 (9.66329e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.883192742851265 (3.18149e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.883192742827555 (1.25902e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 1.883192742817964 (5.09294e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 1.883192742814812 (1.67383e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.883192742813691 (5.95203e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 elapsed time for k point: 0.16535115242004395 zparity:, 4, 0.9505599456752065, -0.795378249423283, 0.2909593295980241, -0.2599400191523577 yparity:, 4, -0.9999756485606782, 0.9999734198098535, -0.9999951573073973, 1.000002402143964 solve_kpoint (1.26,0,0): Solving for bands 1 to 4... linmin: converged after 7 iterations. iteration 1: trace = 2.691331240743783 (1.92976% change) linmin: converged after 5 iterations. iteration 2: trace = 2.671295720214913 (0.747228% change) linmin: converged after 5 iterations. iteration 3: trace = 2.664766792343676 (0.24471% change) linmin: converged after 4 iterations. iteration 4: trace = 2.656412156555789 (0.314014% change) linmin: converged after 6 iterations. iteration 5: trace = 2.640040929367222 (0.618196% change) linmin: converged after 7 iterations. iteration 6: trace = 2.625855470542893 (0.538767% change) linmin: converged after 6 iterations. iteration 7: trace = 2.61859509533755 (0.276878% change) linmin: converged after 4 iterations. iteration 8: trace = 2.614863948572113 (0.142588% change) linmin: converged after 4 iterations. iteration 9: trace = 2.611559983025121 (0.126433% change) linmin: converged after 4 iterations. iteration 10: trace = 2.608574632724415 (0.114378% change) linmin: converged after 4 iterations. iteration 11: trace = 2.606864668769023 (0.0655732% change) linmin: converged after 3 iterations. iteration 12: trace = 2.605988524621448 (0.0336148% change) linmin: converged after 4 iterations. iteration 13: trace = 2.605290071043019 (0.0268055% change) linmin: converged after 4 iterations. iteration 14: trace = 2.604861354163475 (0.016457% change) linmin: converged after 4 iterations. iteration 15: trace = 2.604545510497537 (0.0121259% change) linmin: converged after 3 iterations. iteration 16: trace = 2.604368153526517 (0.00680975% change) linmin: converged after 3 iterations. iteration 17: trace = 2.604272749286691 (0.00366331% change) linmin: converged after 3 iterations. iteration 18: trace = 2.604204130108292 (0.0026349% change) linmin: converged after 3 iterations. iteration 19: trace = 2.604166865970903 (0.00143093% change) linmin: converged after 3 iterations. iteration 20: trace = 2.604146033707185 (0.000799962% change) linmin: converged after 3 iterations. iteration 21: trace = 2.604132293019618 (0.000527648% change) linmin: converged after 4 iterations. iteration 22: trace = 2.604120260624077 (0.000462051% change) linmin: converged after 3 iterations. iteration 23: trace = 2.604114500336466 (0.000221199% change) linmin: converged after 4 iterations. iteration 24: trace = 2.604111450417451 (0.000117119% change) linmin: converged after 5 iterations. iteration 25: trace = 2.604109427544265 (7.768e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 2.604108092320861 (5.12737e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 2.604107084206233 (3.87125e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 2.60410665152511 (1.66153e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 2.604106383464846 (1.02938e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 2.604106241639464 (5.44622e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 2.604106139753172 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 2.60410607419584 (2.51746e-06% change) linmin: converged after 12 iterations. iteration 33: trace = 2.604106025604114 (1.86597e-06% change) linmin: converged after 12 iterations. iteration 34: trace = 2.604105990411492 (1.35143e-06% change) linmin: converged after 25 iterations. iteration 35: trace = 2.60410597070486 (7.56752e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 2.604105962023718 (3.33364e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.604105957861818 (1.59821e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.604105955505369 (9.04897e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 2.604105953483433 (7.76441e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 2.604105952144455 (5.1418e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 2.604105951136531 (3.87052e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 2.604105950573186 (2.16329e-08% change) linmin: converged after 2 iterations. iteration 43: trace = 2.604105950242608 (1.26945e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 2.604105950072068 (6.54891e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 2.604105949971554 (3.8598e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 2.604105949909474 (2.38395e-09% change) linmin: converged after 11 iterations. iteration 47: trace = 2.604105949872306 (1.42729e-09% change) linmin: converged after 4 iterations. iteration 48: trace = 2.60410594984933 (8.8231e-10% change) linmin: converged after 5 iterations. iteration 49: trace = 2.604105949833435 (6.10376e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 2.604105949821812 (4.46322e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 2.604105949814575 (2.7792e-10% change) linmin: converged after 13 iterations. iteration 52: trace = 2.604105949811262 (1.27201e-10% change) linmin: converged after 5 iterations. iteration 53: trace = 2.604105949809357 (7.31762e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 elapsed time for k point: 0.30904459953308105 zparity:, 5, 0.989433203647212, -0.9410345597944496, -0.9057097520341679, 0.12590511654500938 yparity:, 5, -0.9999341958042025, 0.9999920496328631, -0.9999957145770669, 1.0000214447225875 solve_kpoint (1.55,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.266395069778824 (2.05094% change) linmin: converged after 5 iterations. iteration 2: trace = 3.232377355632402 (1.0469% change) linmin: converged after 5 iterations. iteration 3: trace = 3.204495549827901 (0.866315% change) linmin: converged after 4 iterations. iteration 4: trace = 3.187386698865646 (0.535331% change) linmin: converged after 4 iterations. iteration 5: trace = 3.178841158371629 (0.268465% change) linmin: converged after 4 iterations. iteration 6: trace = 3.174359784711398 (0.141075% change) linmin: converged after 4 iterations. iteration 7: trace = 3.172271429703166 (0.0658099% change) linmin: converged after 4 iterations. iteration 8: trace = 3.171344966966339 (0.0292093% change) linmin: converged after 4 iterations. iteration 9: trace = 3.171078223607465 (0.0084114% change) linmin: converged after 3 iterations. iteration 10: trace = 3.171008879397923 (0.00218679% change) linmin: converged after 4 iterations. iteration 11: trace = 3.170984754524611 (0.000760798% change) linmin: converged after 4 iterations. iteration 12: trace = 3.17097706778243 (0.000242409% change) linmin: converged after 5 iterations. iteration 13: trace = 3.170972828710284 (0.000133684% change) linmin: converged after 5 iterations. iteration 14: trace = 3.170971244290354 (4.99664e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 3.170970553226561 (2.17934e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 3.170970265011881 (9.08916e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 3.170970164109814 (3.18206e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 3.170970121317302 (1.34951e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 3.170970104220375 (5.3917e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 3.170970094225221 (3.15208e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 3.170970088061014 (1.94395e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 3.170970085145856 (9.19327e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.170970083948772 (3.77514e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.17097008353335 (1.31008e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 3.170970083397891 (4.27185e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 3.170970083352964 (1.41681e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 3.170970083335021 (5.65851e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 3.170970083326956 (2.54356e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 3.170970083323871 (9.72916e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 elapsed time for k point: 0.17121291160583496 zparity:, 6, 0.9953267395056951, -0.9730766670040221, -0.986247911215252, 0.7878496622631198 yparity:, 6, -0.9999079119735855, 0.9999964725103828, -1.000000377490359, 1.0001762821174565 solve_kpoint (1.84,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.70542176664522 (1.60572% change) linmin: converged after 5 iterations. iteration 2: trace = 3.680251297975054 (0.681603% change) linmin: converged after 5 iterations. iteration 3: trace = 3.671551008005009 (0.236685% change) linmin: converged after 4 iterations. iteration 4: trace = 3.667866331047656 (0.100408% change) linmin: converged after 4 iterations. iteration 5: trace = 3.666884708312741 (0.0267664% change) linmin: converged after 4 iterations. iteration 6: trace = 3.666380816936595 (0.0137426% change) linmin: converged after 4 iterations. iteration 7: trace = 3.666217749636358 (0.00444774% change) linmin: converged after 3 iterations. iteration 8: trace = 3.6661505829781 (0.00183206% change) linmin: converged after 5 iterations. iteration 9: trace = 3.666126412642431 (0.000659286% change) linmin: converged after 4 iterations. iteration 10: trace = 3.666119045925824 (0.00020094% change) linmin: converged after 5 iterations. iteration 11: trace = 3.66611614266722 (7.91916e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 3.666115478266013 (1.81228e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 3.666115258037461 (6.00714e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 3.666115190515089 (1.8418e-06% change) linmin: converged after 7 iterations. iteration 15: trace = 3.666115174200297 (4.45016e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 3.666115169279947 (1.34212e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 3.666115167850354 (3.89947e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 3.666115167237352 (1.67208e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 3.666115166888864 (9.50563e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 3.666115166571151 (8.6662e-09% change) large trace change predicted (1.8721e-08%) linmin: converged after 5 iterations. iteration 21: trace = 3.666115165884806 (1.87213e-08% change) large trace change predicted (4.39604e-08%) linmin: converged after 3 iterations. iteration 22: trace = 3.666115164273169 (4.39604e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.666115161714989 (6.9779e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 3.666115159305658 (6.57189e-08% change) linmin: converged after 22 iterations. iteration 25: trace = 3.666115157581601 (4.70268e-08% change) linmin: converged after 28 iterations. iteration 26: trace = 3.666115156371115 (3.30182e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 3.666115155743585 (1.7117e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 3.666115155488845 (6.94848e-09% change) linmin: converged after 9 iterations. iteration 29: trace = 3.66611515541628 (1.97934e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 3.666115155394754 (5.87182e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 3.666115155388817 (1.61931e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 3.666115155387485 (3.63279e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 elapsed time for k point: 0.18995070457458496 zparity:, 7, 0.9973241081197969, -0.984353627051524, -0.9920656947485795, 0.9432892229195069 yparity:, 7, -0.9998843493066407, 0.9999987176028036, -1.000004228955064, 1.000251295159799 solve_kpoint (2.13,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 4.179248358289504 (0.910349% change) linmin: converged after 4 iterations. iteration 2: trace = 4.167780338437884 (0.274781% change) linmin: converged after 4 iterations. iteration 3: trace = 4.165776414135161 (0.0480929% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16489707270989 (0.0211109% change) linmin: converged after 3 iterations. iteration 5: trace = 4.164637936358549 (0.00622211% change) linmin: converged after 4 iterations. iteration 6: trace = 4.164446201568919 (0.00460398% change) linmin: converged after 5 iterations. iteration 7: trace = 4.164369177258053 (0.00184959% change) linmin: converged after 5 iterations. iteration 8: trace = 4.164344541357718 (0.00059159% change) linmin: converged after 3 iterations. iteration 9: trace = 4.1643375227512 (0.000168541% change) linmin: converged after 4 iterations. iteration 10: trace = 4.1643358438107 (4.03171e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.164335332889637 (1.2269e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.16433523099087 (2.44694e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.164335202539397 (6.83218e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 4.1643351877567 (3.54983e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 4.164335171932876 (3.79984e-07% change) large trace change predicted (1.02272e-06%) linmin: converged after 3 iterations. iteration 16: trace = 4.1643351293438 (1.02271e-06% change) large trace change predicted (8.89361e-06%) linmin: converged after 8 iterations. iteration 17: trace = 4.164334759043552 (8.89218e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 18: trace = 4.16316758638906 (0.0280318% change) linmin: converged after 9 iterations. iteration 19: trace = 4.163166876293172 (1.70566e-05% change) linmin: converged after 7 iterations. iteration 20: trace = 4.163166163752942 (1.71153e-05% change) linmin: converged after 8 iterations. iteration 21: trace = 4.163165449011131 (1.71682e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 4.16316473228248 (1.7216e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.163164013755316 (1.72592e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.163163293593025 (1.72984e-05% change) linmin: converged after 9 iterations. iteration 25: trace = 4.163162571935903 (1.73343e-05% change) linmin: converged after 7 iterations. iteration 26: trace = 4.163161848902639 (1.73674e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.163161124591937 (1.73981e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.163160399084225 (1.74268e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 4.163159672443065 (1.74541e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.163158944716526 (1.74802e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.163158215938651 (1.75054e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.163157486130701 (1.75302e-05% change) linmin: converged after 12 iterations. iteration 33: trace = 4.163156755302264 (1.75547e-05% change) linmin: converged after 21 iterations. iteration 34: trace = 4.163156023429362 (1.75798e-05% change) linmin: converged after 12 iterations. iteration 35: trace = 4.163155290546891 (1.7604e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.163154556597316 (1.76296e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 4.163153821571862 (1.76555e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 4.163153085450248 (1.76818e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 4.163152348177279 (1.77095e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.163151609704363 (1.77383e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 4.163150869986995 (1.77682e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 4.163150128967145 (1.77995e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.163149386585701 (1.78322e-05% change) linmin: converged after 9 iterations. iteration 44: trace = 4.163148642780136 (1.78664e-05% change) linmin: converged after 10 iterations. iteration 45: trace = 4.163147897482164 (1.79023e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 4.16314715062773 (1.79397e-05% change) linmin: converged after 12 iterations. iteration 47: trace = 4.163146402144422 (1.79788e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.163145651958501 (1.80197e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 4.163144899994773 (1.80624e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 4.163144146176415 (1.81069e-05% change) linmin: converged after 10 iterations. iteration 51: trace = 4.163143390425138 (1.81534e-05% change) linmin: converged after 8 iterations. iteration 52: trace = 4.163142632661325 (1.82017e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.163141872804288 (1.8252e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 4.16314111077236 (1.83043e-05% change) linmin: converged after 9 iterations. iteration 55: trace = 4.163140346483049 (1.83585e-05% change) linmin: converged after 12 iterations. iteration 56: trace = 4.163139579853148 (1.84147e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.163138810798954 (1.84729e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 4.163138039236278 (1.85332e-05% change) linmin: converged after 8 iterations. iteration 59: trace = 4.163137265080522 (1.85955e-05% change) linmin: converged after 15 iterations. iteration 60: trace = 4.163136488246822 (1.86598e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 4.163135708650155 (1.87262e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 4.16313492620536 (1.87946e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 4.163134140827234 (1.88651e-05% change) linmin: converged after 7 iterations. iteration 64: trace = 4.163133352430576 (1.89376e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 4.163132560930322 (1.90121e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 4.163131766241523 (1.90887e-05% change) linmin: converged after 10 iterations. iteration 67: trace = 4.163130968279442 (1.91674e-05% change) linmin: converged after 7 iterations. iteration 68: trace = 4.163130166959633 (1.9248e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 4.163129362197923 (1.93307e-05% change) resetting CG direction... large trace change predicted (0.20048%) linmin: converged after 4 iterations. iteration 70: trace = 4.154754269036366 (0.201376% change) linmin: converged after 4 iterations. iteration 71: trace = 4.151730774648329 (0.0727984% change) linmin: converged after 4 iterations. iteration 72: trace = 4.150327728248673 (0.0338% change) linmin: converged after 3 iterations. iteration 73: trace = 4.149564355410396 (0.0183948% change) linmin: converged after 9 iterations. iteration 74: trace = 4.149045216918441 (0.0125115% change) linmin: converged after 3 iterations. iteration 75: trace = 4.148540739501984 (0.0121596% change) linmin: converged after 4 iterations. iteration 76: trace = 4.147913030488091 (0.015132% change) linmin: converged after 5 iterations. iteration 77: trace = 4.14696335293775 (0.0228979% change) linmin: converged after 5 iterations. iteration 78: trace = 4.145419664772184 (0.0372315% change) linmin: converged after 5 iterations. iteration 79: trace = 4.143768420700608 (0.0398409% change) linmin: converged after 4 iterations. iteration 80: trace = 4.142813620967517 (0.0230445% change) linmin: converged after 4 iterations. iteration 81: trace = 4.142427718641198 (0.00931542% change) linmin: converged after 3 iterations. iteration 82: trace = 4.142309326847935 (0.00285807% change) linmin: converged after 3 iterations. iteration 83: trace = 4.142270291862667 (0.000942353% change) linmin: converged after 3 iterations. iteration 84: trace = 4.142259228354433 (0.000267088% change) linmin: converged after 4 iterations. iteration 85: trace = 4.142254098558954 (0.000123841% change) linmin: converged after 4 iterations. iteration 86: trace = 4.142251825495718 (5.4875e-05% change) linmin: converged after 5 iterations. iteration 87: trace = 4.142250854562075 (2.34398e-05% change) linmin: converged after 2 iterations. iteration 88: trace = 4.142250458252493 (9.56749e-06% change) linmin: converged after 6 iterations. iteration 89: trace = 4.142250016021885 (1.06761e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 4.142249199751446 (1.9706e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 4.142248059527486 (2.75267e-05% change) linmin: converged after 5 iterations. iteration 92: trace = 4.14224631521294 (4.21103e-05% change) linmin: converged after 6 iterations. iteration 93: trace = 4.142245417574321 (2.16703e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 4.142245181154404 (5.70753e-06% change) linmin: converged after 2 iterations. iteration 95: trace = 4.142245107964157 (1.76692e-06% change) linmin: converged after 2 iterations. iteration 96: trace = 4.142245088102449 (4.79491e-07% change) linmin: converged after 2 iterations. iteration 97: trace = 4.142245076893952 (2.7059e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 4.142245071669594 (1.26124e-07% change) linmin: converged after 2 iterations. iteration 99: trace = 4.142245069755909 (4.61992e-08% change) linmin: converged after 2 iterations. iteration 100: trace = 4.142245069000636 (1.82334e-08% change) linmin: converged after 3 iterations. iteration 101: trace = 4.142245068687432 (7.56123e-09% change) linmin: converged after 4 iterations. iteration 102: trace = 4.142245068426584 (6.29725e-09% change) linmin: converged after 2 iterations. iteration 103: trace = 4.14224506802549 (9.68302e-09% change) linmin: converged after 2 iterations. iteration 104: trace = 4.142245067241705 (1.89217e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.142245066287538 (2.3035e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 4.142245065572554 (1.72608e-08% change) linmin: converged after 2 iterations. iteration 107: trace = 4.142245065259731 (7.55203e-09% change) linmin: converged after 12 iterations. iteration 108: trace = 4.142245065162615 (2.34453e-09% change) linmin: converged after 3 iterations. iteration 109: trace = 4.142245065142515 (4.85231e-10% change) linmin: converged after 5 iterations. iteration 110: trace = 4.142245065136632 (1.42032e-10% change) linmin: converged after 2 iterations. iteration 111: trace = 4.142245065134214 (5.83864e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 elapsed time for k point: 0.6494729518890381 zparity:, 8, 0.9982486290503177, -0.9895791223046916, -0.9942480254116284, -0.9858374395357821 yparity:, 8, -0.9998633636102361, 1.0000002772665153, -1.0000094946193563, -0.9998446077472626 solve_kpoint (2.42,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 4.665766465874563 (0.565815% change) linmin: converged after 4 iterations. iteration 2: trace = 4.659489395826522 (0.134625% change) linmin: converged after 4 iterations. iteration 3: trace = 4.658891363438755 (0.0128355% change) linmin: converged after 4 iterations. iteration 4: trace = 4.65871096353985 (0.00387224% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658687038855446 (0.000513549% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65868325667982 (8.11855e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.658682393128436 (1.85364e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.658682225170776 (3.60526e-06% change) linmin: converged after 34 iterations. iteration 9: trace = 4.658682176904288 (1.03605e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.658682160894788 (3.43649e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.658682157651009 (6.96287e-08% change) linmin: converged after 13 iterations. iteration 12: trace = 4.658682156823364 (1.77657e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.658682156624814 (4.26193e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.658682156534685 (1.93464e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.658682156472834 (1.32767e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.658682156406861 (1.41613e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.658682156300657 (2.2797e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 4.658682156170637 (2.79091e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.658682156060237 (2.36978e-09% change) linmin: converged after 9 iterations. iteration 20: trace = 4.658682156016944 (9.29286e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 4.658682156004986 (2.56691e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.658682156001959 (6.49736e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 elapsed time for k point: 0.1339716911315918 zparity:, 9, 0.9987530861905035, -0.9924225574132503, -0.9954159207907368, -0.9908510257235786 yparity:, 9, -0.9998459146893053, 1.000001510036795, -1.0000160082783978, -0.9998409671139477 solve_kpoint (2.71,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.231306463684254 (0.398399% change) linmin: converged after 4 iterations. iteration 2: trace = 5.226476483996172 (0.092371% change) linmin: converged after 4 iterations. iteration 3: trace = 5.225996832030691 (0.00917777% change) linmin: converged after 4 iterations. iteration 4: trace = 5.225846177241163 (0.00288284% change) linmin: converged after 4 iterations. iteration 5: trace = 5.225825962252783 (0.000386828% change) linmin: converged after 5 iterations. iteration 6: trace = 5.225822836954248 (5.98049e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.225822132024473 (1.34894e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.225821997941996 (2.56577e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.225821960503556 (7.16412e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.225821946532259 (2.67351e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 5.225821943078972 (6.60812e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.225821942125431 (1.82467e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.225821941909169 (4.13833e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 5.225821941839987 (1.32385e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 5.225821941820714 (3.68812e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 5.22582194181603 (8.96197e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 elapsed time for k point: 0.09884333610534668 zparity:, 10, 0.999058451884413, -0.9941385054596745, -0.996144476211231, -0.9934909746544984 yparity:, 10, -0.999833271897719, 1.000002524621246, -1.0000230923335933, -0.9998348121389271 solve_kpoint (3,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.849410752654952 (0.287035% change) linmin: converged after 4 iterations. iteration 2: trace = 5.84554894659623 (0.0660422% change) linmin: converged after 4 iterations. iteration 3: trace = 5.845128893013053 (0.00718613% change) linmin: converged after 4 iterations. iteration 4: trace = 5.844992170146368 (0.00233912% change) linmin: converged after 4 iterations. iteration 5: trace = 5.844973984450393 (0.000311133% change) linmin: converged after 2 iterations. iteration 6: trace = 5.844971151658916 (4.84654e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.844970494856534 (1.12371e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.84497036803691 (2.16972e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.844970331184175 (6.30503e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.844970316460044 (2.51911e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 5.844970312633015 (6.54756e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.844970311596862 (1.77273e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.844970311355159 (4.13524e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 5.844970311278132 (1.31782e-09% change) linmin: converged after 10 iterations. iteration 15: trace = 5.844970311258017 (3.4415e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 5.844970311253993 (6.88361e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 Felapsed time for k point: 0.1002035140991211 zparity:, 11, 0.999257350936381, -0.9952507980580001, -0.9966396089669411, -0.9950905165813099 yparity:, 11, -0.9998264814151208, 1.000003358403511, -1.0000301573652695, -0.9998331550675029 Band 1 range: 0.08075820534047619 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106427 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.0855765355012531 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904504 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800331054 at Vector3<0.1, 0.0, 0.0> to 1.2769288087738555 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568814 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201543 at Vector3<3.0, 0.0, 0.0> total elapsed time for run: 2.438840627670288 done /tmp/meepREy4kN/test_strip-0: 2.44s /tmp/meepREy4kN/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013821125030517578 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1387767791748047 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3896608352661133 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08628296852111816 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07965707778930664 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09251046180725098 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1431427001953125 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10830426216125488 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09203958511352539 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07947611808776855 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07647204399108887 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07591438293457031 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.059870004653930664 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06920957565307617 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09470152854919434 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1108400821685791 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24595284461975098 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9453980922698975 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepREy4kN/test_subpixel_averaging-0-epsilon.h5... /tmp/meepREy4kN/test_subpixel_averaging-0: 1.96s /tmp/meepREy4kN/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> elapsed time for initialization: 0.045413970947265625 solve_kpoint (0.5,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6 Solving for bands 1 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 15.74018598579249 (195.749% change) linmin: converged after 9 iterations. iteration 2: trace = 3.090147276233731 (134.358% change) linmin: converged after 6 iterations. iteration 3: trace = 2.39752372069761 (25.2429% change) linmin: converged after 5 iterations. iteration 4: trace = 2.145761074543341 (11.0828% change) linmin: converged after 5 iterations. iteration 5: trace = 2.068316051370429 (3.67554% change) linmin: converged after 5 iterations. iteration 6: trace = 2.048480958527572 (0.963618% change) linmin: converged after 4 iterations. iteration 7: trace = 2.043452743659615 (0.245762% change) linmin: converged after 4 iterations. iteration 8: trace = 2.041240675658027 (0.10831% change) linmin: converged after 4 iterations. iteration 9: trace = 2.040708177321921 (0.0260904% change) linmin: converged after 4 iterations. iteration 10: trace = 2.040466618259406 (0.0118377% change) linmin: converged after 4 iterations. iteration 11: trace = 2.040385065982352 (0.00399683% change) linmin: converged after 5 iterations. iteration 12: trace = 2.040354111287643 (0.00151711% change) linmin: converged after 5 iterations. iteration 13: trace = 2.040341169825954 (0.000634277% change) linmin: converged after 4 iterations. iteration 14: trace = 2.040337077970569 (0.000200548% change) linmin: converged after 4 iterations. iteration 15: trace = 2.040336153622575 (4.53037e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 2.040335806340879 (1.70208e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 2.040335710845959 (4.68035e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 2.040335672642774 (1.8724e-06% change) linmin: converged after 22 iterations. iteration 19: trace = 2.040335654413402 (8.9345e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.040335648243747 (3.02384e-07% change) linmin: converged after 18 iterations. iteration 21: trace = 2.040335646291806 (9.56677e-08% change) linmin: converged after 7 iterations. iteration 22: trace = 2.04033564561653 (3.30963e-08% change) linmin: converged after 21 iterations. iteration 23: trace = 2.040335645457566 (7.79107e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 2.040335645416252 (2.02487e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 2.040335645404155 (5.92892e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 2.040335645401636 (1.23432e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 2.04033564540094 (3.41501e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 elapsed time for k point: 4.093977451324463 total elapsed time for run: 4.139477491378784 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.04434537887573242 solve_kpoint (0,0,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.95589239481535 (193.84% change) linmin: converged after 12 iterations. iteration 2: trace = 4.039421326965928 (129.735% change) linmin: converged after 5 iterations. iteration 3: trace = 3.237031641771015 (22.0544% change) linmin: converged after 5 iterations. iteration 4: trace = 2.981724017015089 (8.21089% change) linmin: converged after 5 iterations. iteration 5: trace = 2.778779921662612 (7.04605% change) linmin: converged after 6 iterations. iteration 6: trace = 2.649264413471264 (4.77209% change) linmin: converged after 6 iterations. iteration 7: trace = 2.552598023165624 (3.71661% change) linmin: converged after 6 iterations. iteration 8: trace = 2.49999224211558 (2.08233% change) linmin: converged after 5 iterations. iteration 9: trace = 2.481050506315754 (0.760553% change) linmin: converged after 4 iterations. iteration 10: trace = 2.47318361058262 (0.317583% change) linmin: converged after 3 iterations. iteration 11: trace = 2.470951871990917 (0.0902782% change) linmin: converged after 3 iterations. iteration 12: trace = 2.470390583895061 (0.022718% change) linmin: converged after 4 iterations. iteration 13: trace = 2.470176090620012 (0.00868294% change) linmin: converged after 3 iterations. iteration 14: trace = 2.470105989373048 (0.00283795% change) linmin: converged after 3 iterations. iteration 15: trace = 2.470088975297651 (0.000688802% change) linmin: converged after 3 iterations. iteration 16: trace = 2.470086848276996 (8.61111e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 2.470086726387079 (4.93464e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 2.470086678531701 (1.9374e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.470086646747166 (1.28678e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 2.470086621328261 (1.02907e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 2.470086599230554 (8.94613e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.470086579159212 (8.12576e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 2.470086560435126 (7.58034e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 2.470086542626187 (7.20984e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 2.470086525398639 (6.97447e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 2.470086508443814 (6.86406e-07% change) linmin: converged after 5 iterations. iteration 27: trace = 2.470086491432141 (6.88708e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 2.470086473971004 (7.06904e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 2.470086455551509 (7.45702e-07% change) linmin: converged after 6 iterations. iteration 30: trace = 2.470086435461984 (8.13313e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 2.470086412632964 (9.24219e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 2.470086385334096 (1.10518e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 2.470086350578639 (1.40705e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 2.470086303711495 (1.89739e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 2.470086256803584 (1.89904e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 2.470086237769362 (7.70589e-07% change) linmin: converged after 5 iterations. iteration 37: trace = 2.470086227711381 (4.07191e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 2.470086220769965 (2.81019e-07% change) linmin: converged after 5 iterations. iteration 39: trace = 2.470086215312805 (2.2093e-07% change) linmin: converged after 4 iterations. iteration 40: trace = 2.470086210703905 (1.86589e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 2.470086206637606 (1.64622e-07% change) linmin: converged after 5 iterations. iteration 42: trace = 2.470086202945012 (1.49493e-07% change) linmin: converged after 7 iterations. iteration 43: trace = 2.470086199523804 (1.38506e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 2.470086196306484 (1.30251e-07% change) linmin: converged after 5 iterations. iteration 45: trace = 2.470086193246972 (1.23863e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 2.470086190311444 (1.18843e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 2.470086187474318 (1.14859e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 2.470086184715327 (1.11696e-07% change) linmin: converged after 5 iterations. iteration 49: trace = 2.470086182017742 (1.0921e-07% change) linmin: converged after 5 iterations. iteration 50: trace = 2.470086179367615 (1.07289e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 2.470086176752181 (1.05884e-07% change) linmin: converged after 6 iterations. iteration 52: trace = 2.470086174160263 (1.04932e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.470086171580709 (1.04432e-07% change) linmin: converged after 9 iterations. iteration 54: trace = 2.47008616900312 (1.04352e-07% change) linmin: converged after 6 iterations. iteration 55: trace = 2.470086166416444 (1.0472e-07% change) linmin: converged after 5 iterations. iteration 56: trace = 2.470086163809907 (1.05524e-07% change) linmin: converged after 8 iterations. iteration 57: trace = 2.470086161171471 (1.06816e-07% change) linmin: converged after 6 iterations. iteration 58: trace = 2.470086158488062 (1.08636e-07% change) linmin: converged after 6 iterations. iteration 59: trace = 2.470086155745094 (1.11047e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 2.470086152925734 (1.1414e-07% change) linmin: converged after 5 iterations. iteration 61: trace = 2.470086150010395 (1.18026e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 2.470086146975367 (1.22871e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 2.470086143791794 (1.28885e-07% change) linmin: converged after 6 iterations. iteration 64: trace = 2.47008614042227 (1.36413e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 2.470086136818356 (1.45902e-07% change) linmin: converged after 5 iterations. iteration 66: trace = 2.47008613291373 (1.58077e-07% change) linmin: converged after 5 iterations. iteration 67: trace = 2.470086128613541 (1.74091e-07% change) linmin: converged after 4 iterations. iteration 68: trace = 2.470086123774848 (1.95892e-07% change) linmin: converged after 7 iterations. iteration 69: trace = 2.470086118170149 (2.26903e-07% change) resetting CG direction... large trace change predicted (5.08616e-06%) linmin: converged after 4 iterations. iteration 70: trace = 2.470085992402971 (5.09161e-06% change) linmin: converged after 4 iterations. iteration 71: trace = 2.470085917449075 (3.03447e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 2.470085857051819 (2.44515e-06% change) linmin: converged after 10 iterations. iteration 73: trace = 2.470085794434165 (2.53504e-06% change) linmin: converged after 5 iterations. iteration 74: trace = 2.470085684656471 (4.44429e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 2.470085666272392 (7.44269e-07% change) linmin: converged after 5 iterations. iteration 76: trace = 2.470085659657276 (2.67809e-07% change) linmin: converged after 2 iterations. iteration 77: trace = 2.470085656852766 (1.13539e-07% change) linmin: converged after 6 iterations. iteration 78: trace = 2.470085655579518 (5.15467e-08% change) linmin: converged after 15 iterations. iteration 79: trace = 2.470085654980333 (2.42576e-08% change) linmin: converged after 6 iterations. iteration 80: trace = 2.470085654692695 (1.16449e-08% change) linmin: converged after 6 iterations. iteration 81: trace = 2.47008565455298 (5.65628e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 2.47008565448481 (2.75986e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 2.470085654451496 (1.34869e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 2.470085654435226 (6.58668e-10% change) linmin: converged after 3 iterations. iteration 85: trace = 2.470085654427465 (3.14196e-10% change) linmin: converged after 16 iterations. iteration 86: trace = 2.470085654423682 (1.53178e-10% change) linmin: converged after 6 iterations. iteration 87: trace = 2.470085654421875 (7.31194e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 elapsed time for k point: 9.638393878936768 total elapsed time for run: 9.682840347290039 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zodd. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.04435253143310547 solve_kpoint (0,0,0): zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.02221847556454 (194.149% change) linmin: converged after 11 iterations. iteration 2: trace = 3.363324203114509 (137.092% change) linmin: converged after 5 iterations. iteration 3: trace = 2.753285428763914 (19.947% change) linmin: converged after 5 iterations. iteration 4: trace = 2.542376250784823 (7.96536% change) linmin: converged after 5 iterations. iteration 5: trace = 2.460265280306889 (3.2827% change) linmin: converged after 6 iterations. iteration 6: trace = 2.396838326976499 (2.61172% change) linmin: converged after 5 iterations. iteration 7: trace = 2.342633507615586 (2.28738% change) linmin: converged after 7 iterations. iteration 8: trace = 2.313897281250125 (1.23423% change) linmin: converged after 6 iterations. iteration 9: trace = 2.300812929616366 (0.567071% change) linmin: converged after 4 iterations. iteration 10: trace = 2.296327307690695 (0.195148% change) linmin: converged after 3 iterations. iteration 11: trace = 2.294758109433266 (0.0683585% change) linmin: converged after 4 iterations. iteration 12: trace = 2.294135222393112 (0.0271476% change) linmin: converged after 4 iterations. iteration 13: trace = 2.293938668030191 (0.00856806% change) linmin: converged after 4 iterations. iteration 14: trace = 2.293826788588857 (0.0048773% change) linmin: converged after 4 iterations. iteration 15: trace = 2.293758588338953 (0.00297325% change) linmin: converged after 5 iterations. iteration 16: trace = 2.29369419440961 (0.00280739% change) linmin: converged after 7 iterations. iteration 17: trace = 2.293618199025774 (0.00331329% change) linmin: converged after 7 iterations. iteration 18: trace = 2.293528069881335 (0.00392964% change) linmin: converged after 4 iterations. iteration 19: trace = 2.293451007226641 (0.00336006% change) linmin: converged after 8 iterations. iteration 20: trace = 2.293406432494042 (0.00194358% change) linmin: converged after 5 iterations. iteration 21: trace = 2.293384561775683 (0.000953639% change) linmin: converged after 5 iterations. iteration 22: trace = 2.293373743494189 (0.000471718% change) linmin: converged after 4 iterations. iteration 23: trace = 2.293370474414736 (0.000142545% change) linmin: converged after 5 iterations. iteration 24: trace = 2.293369520043941 (4.16143e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 2.293369112326042 (1.77781e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 2.293368934281367 (7.76346e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 2.293368844736433 (3.90452e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 2.293368821069992 (1.03195e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 2.293368820578205 (2.14439e-08% change) linmin: converged after 15 iterations. iteration 30: trace = 2.293368820560684 (7.63951e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.293368820559674 (4.40532e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 .elapsed time for k point: 3.504971981048584 total elapsed time for run: 3.5494325160980225 done /tmp/meepREy4kN/test_symmetry_overlap-0: 17.82s /tmp/meepREy4kN/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002070188522338867 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 13.34289714972894 (194.943% change) linmin: converged after 7 iterations. iteration 2: trace = 5.883288708168695 (77.5984% change) linmin: converged after 5 iterations. iteration 3: trace = 5.044755956652265 (15.3464% change) linmin: converged after 5 iterations. iteration 4: trace = 4.759186801709515 (5.8256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.648502384223162 (2.35306% change) linmin: converged after 5 iterations. iteration 6: trace = 4.573735188935832 (1.62145% change) linmin: converged after 8 iterations. iteration 7: trace = 4.52509608637615 (1.06913% change) linmin: converged after 5 iterations. iteration 8: trace = 4.490878663187865 (0.75904% change) linmin: converged after 6 iterations. iteration 9: trace = 4.471972673158225 (0.421874% change) linmin: converged after 4 iterations. iteration 10: trace = 4.463100096502826 (0.198601% change) linmin: converged after 5 iterations. iteration 11: trace = 4.457774835855648 (0.119389% change) linmin: converged after 4 iterations. iteration 12: trace = 4.455553733636293 (0.0498378% change) linmin: converged after 4 iterations. iteration 13: trace = 4.454264949858793 (0.0289295% change) linmin: converged after 4 iterations. iteration 14: trace = 4.453628568036768 (0.014288% change) linmin: converged after 4 iterations. iteration 15: trace = 4.453292324411062 (0.00755017% change) linmin: converged after 4 iterations. iteration 16: trace = 4.453169254637682 (0.00276361% change) linmin: converged after 4 iterations. iteration 17: trace = 4.453124198333839 (0.00101179% change) linmin: converged after 5 iterations. iteration 18: trace = 4.453097708544561 (0.00059486% change) linmin: converged after 5 iterations. iteration 19: trace = 4.453064686036361 (0.000741565% change) large trace change predicted (0.00167871%) linmin: converged after 5 iterations. iteration 20: trace = 4.45298990841828 (0.00167925% change) large trace change predicted (0.00355348%) linmin: converged after 5 iterations. iteration 21: trace = 4.452831698844816 (0.00355295% change) linmin: converged after 5 iterations. iteration 22: trace = 4.452615931157147 (0.00484575% change) linmin: converged after 5 iterations. iteration 23: trace = 4.452445091453559 (0.00383691% change) linmin: converged after 5 iterations. iteration 24: trace = 4.452296186462407 (0.0033444% change) linmin: converged after 4 iterations. iteration 25: trace = 4.452144807934144 (0.00340007% change) linmin: converged after 4 iterations. iteration 26: trace = 4.45202801093897 (0.00262342% change) linmin: converged after 4 iterations. iteration 27: trace = 4.451974702503797 (0.0011974% change) linmin: converged after 4 iterations. iteration 28: trace = 4.451958340675563 (0.000367519% change) linmin: converged after 4 iterations. iteration 29: trace = 4.451953421809165 (0.000110488% change) linmin: converged after 5 iterations. iteration 30: trace = 4.451951355107926 (4.64224e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 4.451950388858642 (2.1704e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.451949935124777 (1.01918e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 4.451949721654937 (4.79497e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 4.451949638042385 (1.87811e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 4.451949603090662 (7.85088e-07% change) linmin: converged after 10 iterations. iteration 36: trace = 4.451949587124878 (3.58625e-07% change) linmin: converged after 6 iterations. iteration 37: trace = 4.451949578414573 (1.95651e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 4.451949573497659 (1.10444e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 4.451949570787107 (6.08846e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 4.451949569043551 (3.91639e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 4.451949566780466 (5.08336e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.451949562367793 (9.91178e-08% change) large trace change predicted (2.08746e-07%) linmin: converged after 2 iterations. iteration 43: trace = 4.451949553074521 (2.08746e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 4.451949540843078 (2.74744e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 4.451949529999953 (2.43559e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 4.451949523238304 (1.51881e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 4.451949519159151 (9.16262e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 4.451949516240864 (6.55508e-08% change) linmin: converged after 5 iterations. iteration 49: trace = 4.451949514432178 (4.06268e-08% change) linmin: converged after 3 iterations. iteration 50: trace = 4.451949513681809 (1.68548e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.451949513453071 (5.13793e-09% change) linmin: converged after 12 iterations. iteration 52: trace = 4.451949513392949 (1.35046e-09% change) linmin: converged after 3 iterations. iteration 53: trace = 4.451949513373067 (4.46608e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 4.451949513363684 (2.10755e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 4.451949513358428 (1.18066e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 4.451949513355888 (5.7038e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.151580810546875 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.47594446708455 (0.531645% change) linmin: converged after 4 iterations. iteration 2: trace = 4.470049557564652 (0.131789% change) linmin: converged after 3 iterations. iteration 3: trace = 4.468237947747928 (0.0405359% change) linmin: converged after 3 iterations. iteration 4: trace = 4.467329142575571 (0.0203413% change) linmin: converged after 4 iterations. iteration 5: trace = 4.466696419379508 (0.0141643% change) linmin: converged after 4 iterations. iteration 6: trace = 4.466267349480991 (0.00960644% change) linmin: converged after 4 iterations. iteration 7: trace = 4.465882291995668 (0.00862183% change) linmin: converged after 4 iterations. iteration 8: trace = 4.465603095551343 (0.00625196% change) linmin: converged after 3 iterations. iteration 9: trace = 4.465254970880233 (0.007796% change) large trace change predicted (0.015835%) linmin: converged after 3 iterations. iteration 10: trace = 4.464548380044759 (0.0158255% change) large trace change predicted (0.0385932%) linmin: converged after 6 iterations. iteration 11: trace = 4.462859568819666 (0.0378343% change) linmin: converged after 10 iterations. iteration 12: trace = 4.460811970277925 (0.0458914% change) linmin: converged after 6 iterations. iteration 13: trace = 4.459584283478679 (0.0275254% change) linmin: converged after 4 iterations. iteration 14: trace = 4.459118661364628 (0.0104415% change) linmin: converged after 7 iterations. iteration 15: trace = 4.458964421199068 (0.00345904% change) linmin: converged after 3 iterations. iteration 16: trace = 4.458929960323483 (0.000772848% change) linmin: converged after 3 iterations. iteration 17: trace = 4.458912092727452 (0.000400716% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458904032336828 (0.000180771% change) linmin: converged after 3 iterations. iteration 19: trace = 4.458899161081643 (0.000109248% change) linmin: converged after 4 iterations. iteration 20: trace = 4.458897017351457 (4.80776e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 4.45889596075534 (2.36964e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.458895419253098 (1.21443e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.458895086285063 (7.4675e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.458894672876793 (9.27154e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 4.458893966784354 (1.58356e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.458892812036253 (2.58976e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458891509286692 (2.92169e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458890473613824 (2.32271e-05% change) linmin: converged after 7 iterations. iteration 29: trace = 4.458889874545344 (1.34354e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.458889622685652 (5.64848e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 4.45888952643595 (2.1586e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 4.458889488492838 (8.50954e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 4.458889473720224 (3.31307e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 4.45888946816392 (1.24612e-07% change) linmin: converged after 3 iterations. iteration 35: trace = 4.458889466116759 (4.59119e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 4.45888946524228 (1.9612e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 4.458889464752234 (1.09903e-08% change) linmin: converged after 18 iterations. iteration 38: trace = 4.4588894644632 (6.48219e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 4.458889464280369 (4.10038e-09% change) linmin: converged after 4 iterations. iteration 40: trace = 4.458889464100636 (4.03088e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 4.458889463833435 (5.99255e-09% change) linmin: converged after 7 iterations. iteration 42: trace = 4.458889463451232 (8.5717e-09% change) linmin: converged after 8 iterations. iteration 43: trace = 4.458889462992349 (1.02914e-08% change) linmin: converged after 7 iterations. iteration 44: trace = 4.458889462497352 (1.11014e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 4.458889462139591 (8.02354e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 4.458889461932944 (4.63448e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 4.458889461821264 (2.50467e-09% change) linmin: converged after 6 iterations. iteration 48: trace = 4.458889461773406 (1.07331e-09% change) linmin: converged after 5 iterations. iteration 49: trace = 4.458889461754992 (4.12986e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 4.458889461749086 (1.32443e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 4.458889461747212 (4.20297e-11% change) Finished solving for bands 1 to 8 after 51 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546 elapsed time for k point: 0.16639375686645508 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.492158134805232 (0.545791% change) linmin: converged after 5 iterations. iteration 2: trace = 4.485756356464682 (0.142612% change) linmin: converged after 4 iterations. iteration 3: trace = 4.48359772319342 (0.0481335% change) linmin: converged after 4 iterations. iteration 4: trace = 4.482688838957788 (0.0202734% change) linmin: converged after 4 iterations. iteration 5: trace = 4.482289052223193 (0.00891886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.482111886539243 (0.00395265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.481989042618931 (0.0027408% change) linmin: converged after 4 iterations. iteration 8: trace = 4.481900761942899 (0.0019697% change) linmin: converged after 4 iterations. iteration 9: trace = 4.481819566982614 (0.00181164% change) linmin: converged after 4 iterations. iteration 10: trace = 4.481727172834768 (0.00206155% change) linmin: converged after 13 iterations. iteration 11: trace = 4.481640274020332 (0.00193898% change) linmin: converged after 4 iterations. iteration 12: trace = 4.481586984826549 (0.00118906% change) linmin: converged after 5 iterations. iteration 13: trace = 4.481566235482779 (0.000462992% change) linmin: converged after 4 iterations. iteration 14: trace = 4.481558614049679 (0.000170062% change) linmin: converged after 4 iterations. iteration 15: trace = 4.481555960259477 (5.92158e-05% change) linmin: converged after 18 iterations. iteration 16: trace = 4.481555115788896 (1.88432e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.481554758617398 (7.96981e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.481554675435327 (1.8561e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 4.481554649662253 (5.75092e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.481554642967519 (1.49384e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.481554640848156 (4.72908e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 4.481554640163128 (1.52855e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.481554639855202 (6.87097e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 4.481554639686879 (3.75591e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 4.481554639614053 (1.625e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.48155463958997 (5.3738e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.481554639582904 (1.57676e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.481554639580319 (5.76719e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022 elapsed time for k point: 0.09243512153625488 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.54301972900394 (0.515577% change) linmin: converged after 4 iterations. iteration 2: trace = 4.537380948842903 (0.124197% change) linmin: converged after 4 iterations. iteration 3: trace = 4.535410322902087 (0.0434403% change) linmin: converged after 4 iterations. iteration 4: trace = 4.534688093386124 (0.0159255% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534407372590857 (0.00619071% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534314483921439 (0.00204855% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534272775355565 (0.000919847% change) linmin: converged after 5 iterations. iteration 8: trace = 4.53425640839527 (0.000360962% change) linmin: converged after 4 iterations. iteration 9: trace = 4.53425029643229 (0.000134795% change) linmin: converged after 5 iterations. iteration 10: trace = 4.534247094432772 (7.06181e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.534244850401082 (4.94907e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.534242751425728 (4.62916e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.534241209054622 (3.40161e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.534240295109358 (2.01565e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.534239883207084 (9.08426e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.534239659653652 (4.93034e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.534239494917887 (3.63315e-06% change) linmin: converged after 9 iterations. iteration 18: trace = 4.53423941526584 (1.75668e-06% change) linmin: converged after 17 iterations. iteration 19: trace = 4.534239379667346 (7.85104e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.534239370364457 (2.0517e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.534239368024673 (5.16026e-08% change) linmin: converged after 15 iterations. iteration 22: trace = 4.534239367497578 (1.16248e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 4.534239367336916 (3.54332e-09% change) linmin: converged after 9 iterations. iteration 24: trace = 4.534239367284071 (1.16546e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.534239367267459 (3.66359e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.534239367261488 (1.31692e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.534239367259118 (5.22811e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658 elapsed time for k point: 0.08914875984191895 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.621404992372711 (0.557147% change) linmin: converged after 4 iterations. iteration 2: trace = 4.6140413474812 (0.159465% change) linmin: converged after 4 iterations. iteration 3: trace = 4.61047769647457 (0.0772648% change) linmin: converged after 4 iterations. iteration 4: trace = 4.608710813617704 (0.0383306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.60786323375121 (0.0183925% change) linmin: converged after 4 iterations. iteration 6: trace = 4.607531544207422 (0.0071986% change) linmin: converged after 4 iterations. iteration 7: trace = 4.607374227312376 (0.0034144% change) linmin: converged after 4 iterations. iteration 8: trace = 4.607318349687175 (0.00121279% change) linmin: converged after 4 iterations. iteration 9: trace = 4.607296971209591 (0.000464012% change) linmin: converged after 5 iterations. iteration 10: trace = 4.607286359307485 (0.000230328% change) linmin: converged after 5 iterations. iteration 11: trace = 4.607280058156396 (0.000136765% change) linmin: converged after 5 iterations. iteration 12: trace = 4.607276056851829 (8.68475e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.607274338045066 (3.73064e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 4.607273686828223 (1.41345e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.60727349105639 (4.24919e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.607273423326171 (1.47007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.60727339645474 (5.83239e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.607273383999384 (2.70341e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.607273373222187 (2.33917e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.607273363837915 (2.03684e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.607273356409584 (1.61231e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.607273352713705 (8.02184e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.607273351035127 (3.64332e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.607273350488983 (1.1854e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.607273350318332 (3.70395e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.607273350261742 (1.22828e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 4.607273350235106 (5.7812e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.607273350217991 (3.71482e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.607273350209259 (1.8952e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.607273350205848 (7.40265e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191 elapsed time for k point: 0.09863591194152832 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692438286201939 (0.712878% change) linmin: converged after 5 iterations. iteration 2: trace = 4.67858755927342 (0.295607% change) linmin: converged after 5 iterations. iteration 3: trace = 4.669219826103069 (0.200426% change) linmin: converged after 5 iterations. iteration 4: trace = 4.662995938259231 (0.133385% change) linmin: converged after 4 iterations. iteration 5: trace = 4.659382161777872 (0.0775291% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65741179558654 (0.0422971% change) linmin: converged after 4 iterations. iteration 7: trace = 4.656216146536877 (0.0256753% change) linmin: converged after 4 iterations. iteration 8: trace = 4.655574406992827 (0.0137834% change) linmin: converged after 4 iterations. iteration 9: trace = 4.655148468920621 (0.00914941% change) linmin: converged after 4 iterations. iteration 10: trace = 4.654836684042732 (0.00669786% change) linmin: converged after 4 iterations. iteration 11: trace = 4.654665296959346 (0.00368198% change) linmin: converged after 4 iterations. iteration 12: trace = 4.654604621969572 (0.00130354% change) linmin: converged after 5 iterations. iteration 13: trace = 4.654589608102698 (0.00032256% change) linmin: converged after 4 iterations. iteration 14: trace = 4.654585491988865 (8.84313e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.654584391756915 (2.36376e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.654584007912179 (8.2466e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.654583872099503 (2.91783e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.654583818003201 (1.16222e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.654583786952053 (6.67109e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.654583768788886 (3.90221e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.654583758229811 (2.26853e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.654583754130684 (8.80665e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.654583752195758 (4.15703e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.654583750968559 (2.63654e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.654583749955052 (2.17744e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 4.654583749144854 (1.74064e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 4.654583748504239 (1.37631e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 4.654583748161551 (7.36237e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 4.65458374803795 (2.65546e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 4.654583747984037 (1.15828e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 4.654583747952655 (6.74217e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 4.654583747932777 (4.2707e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.65458374792053 (2.63119e-10% change) linmin: converged after 5 iterations. iteration 34: trace = 4.654583747914256 (1.34794e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.654583747911483 (5.95734e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797 elapsed time for k point: 0.11497092247009277 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.663405538594692 (0.126187% change) linmin: converged after 4 iterations. iteration 2: trace = 4.661028794315041 (0.0509788% change) linmin: converged after 4 iterations. iteration 3: trace = 4.659462455612591 (0.0336106% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658444596655547 (0.0218474% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658018186979108 (0.0091539% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657889867112099 (0.00275485% change) linmin: converged after 4 iterations. iteration 7: trace = 4.657833401920459 (0.00121226% change) linmin: converged after 5 iterations. iteration 8: trace = 4.65781204755369 (0.000458462% change) linmin: converged after 5 iterations. iteration 9: trace = 4.657804893687837 (0.000153589% change) linmin: converged after 2 iterations. iteration 10: trace = 4.657803287529403 (3.44832e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.657802747123242 (1.16022e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.657802583154767 (3.5203e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 4.65780251250674 (1.51677e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.6578024827709 (6.38409e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 4.657802459850044 (4.92096e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.657802440944282 (4.05894e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 4.657802424135099 (3.60882e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.657802413141304 (2.3603e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.657802408226822 (1.05511e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.657802405927214 (4.93711e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.657802404388961 (3.30253e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.657802403523613 (1.85785e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.657802403119728 (8.67115e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 4.657802402939369 (3.87219e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.657802402884991 (1.16746e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.657802402867798 (3.6913e-10% change) linmin: converged after 11 iterations. iteration 27: trace = 4.657802402862908 (1.04992e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.657802402861526 (2.96708e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 elapsed time for k point: 0.0919649600982666 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.672735728065847 (0.129732% change) linmin: converged after 4 iterations. iteration 2: trace = 4.670213935694965 (0.0539828% change) linmin: converged after 9 iterations. iteration 3: trace = 4.668592631123381 (0.0347219% change) linmin: converged after 4 iterations. iteration 4: trace = 4.667637099611373 (0.0204693% change) linmin: converged after 4 iterations. iteration 5: trace = 4.667264545138923 (0.00798197% change) linmin: converged after 4 iterations. iteration 6: trace = 4.667162918370009 (0.00217746% change) linmin: converged after 4 iterations. iteration 7: trace = 4.667121297309043 (0.000891789% change) linmin: converged after 4 iterations. iteration 8: trace = 4.667105889510089 (0.000330136% change) linmin: converged after 5 iterations. iteration 9: trace = 4.667099608686899 (0.000134576% change) linmin: converged after 3 iterations. iteration 10: trace = 4.667097710975308 (4.06615e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.667096867241917 (1.80783e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.667096564921277 (6.4777e-06% change) linmin: converged after 14 iterations. iteration 13: trace = 4.66709642353641 (3.0294e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.667096341918578 (1.74879e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.667096252445055 (1.91711e-06% change) linmin: converged after 20 iterations. iteration 16: trace = 4.667096174501475 (1.67007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.667096128228516 (9.91472e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.667096109587968 (3.99404e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.667096103667988 (1.26845e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.667096101434449 (4.78571e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 4.667096100309831 (2.40967e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 4.667096099663392 (1.3851e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.667096099284753 (8.11295e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.66709609908991 (4.17481e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.66709609900776 (1.7602e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.667096098964764 (9.21254e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.667096098939577 (5.39671e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.667096098919733 (4.25202e-10% change) linmin: converged after 8 iterations. iteration 29: trace = 4.667096098902281 (3.73933e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.667096098892164 (2.16778e-10% change) linmin: converged after 15 iterations. iteration 31: trace = 4.667096098888665 (7.49617e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 elapsed time for k point: 0.1017298698425293 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.687244093032177 (0.138258% change) linmin: converged after 4 iterations. iteration 2: trace = 4.68450112164773 (0.058537% change) linmin: converged after 3 iterations. iteration 3: trace = 4.682869930576683 (0.0348271% change) linmin: converged after 4 iterations. iteration 4: trace = 4.682034068316317 (0.017851% change) linmin: converged after 4 iterations. iteration 5: trace = 4.681730640008873 (0.0064809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.681655106922102 (0.00161337% change) linmin: converged after 3 iterations. iteration 7: trace = 4.681629472566263 (0.000547551% change) linmin: converged after 4 iterations. iteration 8: trace = 4.681621443725991 (0.000171497% change) linmin: converged after 4 iterations. iteration 9: trace = 4.681618077224002 (7.19089e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.681616737998083 (2.86061e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.681615858546355 (1.87852e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.681615429378891 (9.16708e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.681615194362362 (5.01999e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.681615039712051 (3.30335e-06% change) linmin: converged after 6 iterations. iteration 15: trace = 4.681614869242017 (3.64127e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 4.681614726230351 (3.05475e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.681614658041417 (1.45653e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.681614630400924 (5.90405e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.68161462095171 (2.01837e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.681614615856853 (1.08827e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.681614612123163 (7.97522e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.681614608813805 (7.06884e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.68161460661389 (4.69905e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.681614605684865 (1.98441e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 4.681614605285612 (8.52811e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.681614605099324 (3.97913e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 4.681614605024981 (1.58798e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 4.681614605000406 (5.24926e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 4.681614604988978 (2.44108e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 4.681614604983472 (1.17605e-10% change) linmin: converged after 17 iterations. iteration 31: trace = 4.681614604980835 (5.63268e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805 elapsed time for k point: 0.10161685943603516 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.705683450233832 (0.150475% change) linmin: converged after 4 iterations. iteration 2: trace = 4.702693967398454 (0.0635494% change) linmin: converged after 4 iterations. iteration 3: trace = 4.701070860685245 (0.0345204% change) linmin: converged after 4 iterations. iteration 4: trace = 4.700326710701877 (0.0158306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.700066397544942 (0.00553835% change) linmin: converged after 4 iterations. iteration 6: trace = 4.699999664100543 (0.00141985% change) linmin: converged after 3 iterations. iteration 7: trace = 4.699978616958633 (0.000447813% change) linmin: converged after 4 iterations. iteration 8: trace = 4.699972034548925 (0.000140052% change) linmin: converged after 4 iterations. iteration 9: trace = 4.699969000630877 (6.45519e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.699967170929802 (3.89301e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.699965319407021 (3.93944e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.699964030426752 (2.74253e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.699963193699698 (1.78028e-05% change) linmin: converged after 13 iterations. iteration 14: trace = 4.699962560785059 (1.34664e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.699961832691024 (1.54915e-05% change) linmin: converged after 8 iterations. iteration 16: trace = 4.699961225600806 (1.29169e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.699960906583666 (6.78765e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.699960737235768 (3.60318e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.699960644725966 (1.96831e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.699960592889878 (1.1029e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 4.699960564066775 (6.13263e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.699960551853538 (2.59858e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.69996054723549 (9.82572e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.699960545971039 (2.69034e-08% change) linmin: converged after 16 iterations. iteration 25: trace = 4.699960545396193 (1.22309e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 4.699960545062289 (7.10439e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 4.699960544894044 (3.57971e-09% change) linmin: converged after 8 iterations. iteration 28: trace = 4.699960544831154 (1.3381e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 4.699960544805101 (5.54341e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.699960544792848 (2.60692e-10% change) linmin: converged after 8 iterations. iteration 31: trace = 4.699960544786444 (1.36251e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 4.699960544782283 (8.85351e-11% change) Finished solving for bands 1 to 8 after 32 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946 elapsed time for k point: 0.10475468635559082 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.726091835505287 (0.165622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.722802797492552 (0.0696174% change) linmin: converged after 4 iterations. iteration 3: trace = 4.721109191086882 (0.0358666% change) linmin: converged after 4 iterations. iteration 4: trace = 4.720325201509452 (0.0166074% change) linmin: converged after 4 iterations. iteration 5: trace = 4.72002872799142 (0.00628098% change) linmin: converged after 4 iterations. iteration 6: trace = 4.719918630346546 (0.00233259% change) linmin: converged after 4 iterations. iteration 7: trace = 4.719865321785012 (0.00112944% change) linmin: converged after 4 iterations. iteration 8: trace = 4.719831657789942 (0.000713243% change) linmin: converged after 4 iterations. iteration 9: trace = 4.71980741335517 (0.000513673% change) linmin: converged after 5 iterations. iteration 10: trace = 4.719790508681744 (0.000358165% change) linmin: converged after 5 iterations. iteration 11: trace = 4.719779814604564 (0.00022658% change) linmin: converged after 4 iterations. iteration 12: trace = 4.719770348472877 (0.000200563% change) linmin: converged after 5 iterations. iteration 13: trace = 4.719756280307735 (0.000298069% change) large trace change predicted (0.000793235%) linmin: converged after 15 iterations. iteration 14: trace = 4.719718876294719 (0.000792502% change) large trace change predicted (0.00173209%) linmin: converged after 4 iterations. iteration 15: trace = 4.719637476238337 (0.0017247% change) linmin: converged after 3 iterations. iteration 16: trace = 4.719538716015165 (0.00209256% change) linmin: converged after 6 iterations. iteration 17: trace = 4.719446199514753 (0.00196031% change) linmin: converged after 5 iterations. iteration 18: trace = 4.719342067157387 (0.00220648% change) linmin: converged after 4 iterations. iteration 19: trace = 4.719250145660985 (0.00194778% change) linmin: converged after 4 iterations. iteration 20: trace = 4.719204779897166 (0.000961296% change) linmin: converged after 3 iterations. iteration 21: trace = 4.719181996963679 (0.000482772% change) linmin: converged after 3 iterations. iteration 22: trace = 4.71917349179555 (0.000180226% change) linmin: converged after 3 iterations. iteration 23: trace = 4.719169509308651 (8.43895e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.719167458935975 (4.34478e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 4.719165917310743 (3.26673e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.71916510764345 (1.7157e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 4.719164862213012 (5.20072e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 4.719164785194017 (1.63205e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 4.719164760924096 (5.14284e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 4.719164750429895 (2.22374e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 4.719164743982211 (1.36628e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 4.719164738001871 (1.26725e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 4.719164732533893 (1.15867e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 4.719164729191952 (7.08164e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 4.719164727748357 (3.05901e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 4.71916472725019 (1.05563e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 4.719164726984241 (5.63551e-09% change) linmin: converged after 9 iterations. iteration 38: trace = 4.719164726836323 (3.13441e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 4.719164726707298 (2.73406e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 4.719164726548755 (3.35956e-09% change) linmin: converged after 10 iterations. iteration 41: trace = 4.719164726296947 (5.33585e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 4.719164725852078 (9.42686e-09% change) linmin: converged after 13 iterations. iteration 43: trace = 4.719164725066077 (1.66555e-08% change) linmin: converged after 14 iterations. iteration 44: trace = 4.71916472372212 (2.84787e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 4.719164722419702 (2.75985e-08% change) linmin: converged after 16 iterations. iteration 46: trace = 4.719164721562477 (1.81648e-08% change) linmin: converged after 21 iterations. iteration 47: trace = 4.719164720988466 (1.21634e-08% change) linmin: converged after 12 iterations. iteration 48: trace = 4.719164720623193 (7.74021e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 4.71916472038204 (5.11008e-09% change) linmin: converged after 10 iterations. iteration 50: trace = 4.719164720281913 (2.12171e-09% change) linmin: converged after 4 iterations. iteration 51: trace = 4.719164720241513 (8.56096e-10% change) linmin: converged after 5 iterations. iteration 52: trace = 4.719164720225395 (3.41539e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 4.719164720218767 (1.4044e-10% change) linmin: converged after 5 iterations. iteration 54: trace = 4.719164720216025 (5.81182e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 elapsed time for k point: 0.17586278915405273 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692944380167901 (0.970793% change) linmin: converged after 5 iterations. iteration 2: trace = 4.672476472712366 (0.437095% change) linmin: converged after 5 iterations. iteration 3: trace = 4.66134504154787 (0.238518% change) linmin: converged after 5 iterations. iteration 4: trace = 4.656898551873837 (0.0954362% change) linmin: converged after 4 iterations. iteration 5: trace = 4.655008764250136 (0.0405886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65439933608623 (0.0130927% change) linmin: converged after 4 iterations. iteration 7: trace = 4.654116590783703 (0.00607498% change) linmin: converged after 4 iterations. iteration 8: trace = 4.654018455429475 (0.00210859% change) linmin: converged after 4 iterations. iteration 9: trace = 4.653979714231966 (0.000832428% change) linmin: converged after 4 iterations. iteration 10: trace = 4.653965914128501 (0.000296523% change) linmin: converged after 4 iterations. iteration 11: trace = 4.653960270293428 (0.000121269% change) linmin: converged after 4 iterations. iteration 12: trace = 4.653958279342972 (4.27797e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.653957534859846 (1.59968e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.653957210162117 (6.97681e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.65395702585214 (3.96029e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.653956928560747 (2.09051e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.653956875769952 (1.13432e-06% change) linmin: converged after 13 iterations. iteration 18: trace = 4.653956841201484 (7.42776e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 4.653956819085474 (4.75209e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 4.653956809935063 (1.96616e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.653956806517482 (7.34339e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.653956805199021 (2.83299e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.65395680466305 (1.15165e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.653956804367976 (6.34029e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.653956804189207 (3.84123e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.65395680409557 (2.01199e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 4.653956804061929 (7.2284e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.653956804052053 (2.12199e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.65395680404941 (5.67951e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842 elapsed time for k point: 0.09553360939025879 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.588920978578234 (0.874534% change) linmin: converged after 4 iterations. iteration 2: trace = 4.575249860619992 (0.29836% change) linmin: converged after 4 iterations. iteration 3: trace = 4.569227615780098 (0.131713% change) linmin: converged after 4 iterations. iteration 4: trace = 4.567129923726858 (0.0459197% change) linmin: converged after 4 iterations. iteration 5: trace = 4.566231478753179 (0.0196739% change) linmin: converged after 4 iterations. iteration 6: trace = 4.565933792276804 (0.00651952% change) linmin: converged after 4 iterations. iteration 7: trace = 4.565803133406301 (0.00286164% change) linmin: converged after 4 iterations. iteration 8: trace = 4.565757220078061 (0.0010056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.565743625954823 (0.000297741% change) linmin: converged after 4 iterations. iteration 10: trace = 4.565739612896303 (8.7895e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.565738200055283 (3.09444e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.565737746810887 (9.92708e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.565737597483525 (3.27061e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.565737552537141 (9.84428e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.565737539290494 (2.90132e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.565737535646702 (7.98073e-08% change) linmin: converged after 8 iterations. iteration 17: trace = 4.565737534603485 (2.28488e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.565737534315074 (6.31686e-09% change) linmin: converged after 5 iterations. iteration 19: trace = 4.565737534206797 (2.37151e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.565737534143939 (1.37674e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.565737534100027 (9.61782e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 4.565737534070947 (6.36915e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.56573753405284 (3.96591e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 4.56573753404194 (2.38729e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.56573753403582 (1.34032e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.565737534032801 (6.61212e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032 elapsed time for k point: 0.08573126792907715 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.508620212892092 (0.753199% change) linmin: converged after 4 iterations. iteration 2: trace = 4.499716957737254 (0.197667% change) linmin: converged after 3 iterations. iteration 3: trace = 4.496660861798947 (0.0679406% change) linmin: converged after 4 iterations. iteration 4: trace = 4.495746516235535 (0.0203359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.495430397031106 (0.00703176% change) linmin: converged after 4 iterations. iteration 6: trace = 4.495345271640709 (0.00189362% change) linmin: converged after 4 iterations. iteration 7: trace = 4.495315544672337 (0.000661286% change) linmin: converged after 5 iterations. iteration 8: trace = 4.495303649148995 (0.000264621% change) linmin: converged after 3 iterations. iteration 9: trace = 4.495300564167791 (6.86268e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.495299803160997 (1.69289e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 4.495299629871562 (3.8549e-06% change) linmin: converged after 5 iterations. iteration 12: trace = 4.495299593694352 (8.04779e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.495299585129781 (1.90523e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 4.4952995829639 (4.8181e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.49529958214405 (1.8238e-08% change) linmin: converged after 28 iterations. iteration 16: trace = 4.495299581549299 (1.32305e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.495299580823784 (1.61394e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 4.495299579922003 (2.00605e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.495299579325445 (1.32707e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.49529957906551 (5.78236e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 4.49529957896095 (2.326e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.49529957891384 (1.04798e-09% change) linmin: converged after 6 iterations. iteration 23: trace = 4.495299578893935 (4.42795e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 4.495299578886663 (1.61758e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.495299578884336 (5.17658e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567 elapsed time for k point: 0.08286285400390625 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.473866004790979 (0.70844% change) linmin: converged after 4 iterations. iteration 2: trace = 4.466337931880157 (0.168409% change) linmin: converged after 4 iterations. iteration 3: trace = 4.464014970093497 (0.052024% change) linmin: converged after 3 iterations. iteration 4: trace = 4.463224313439719 (0.0177134% change) linmin: converged after 3 iterations. iteration 5: trace = 4.462870601137268 (0.00792535% change) linmin: converged after 3 iterations. iteration 6: trace = 4.462724153332467 (0.00328152% change) linmin: converged after 3 iterations. iteration 7: trace = 4.462635338597414 (0.00199017% change) linmin: converged after 4 iterations. iteration 8: trace = 4.46258977672777 (0.00102097% change) linmin: converged after 4 iterations. iteration 9: trace = 4.462576102002991 (0.000306431% change) linmin: converged after 5 iterations. iteration 10: trace = 4.462571864667408 (9.49527e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.462570546980006 (2.95275e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.462570139814242 (9.12402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.462570010886544 (2.88909e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.462569981202189 (6.65185e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.462569970590501 (2.37793e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.462569966989759 (8.06876e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.462569964422028 (5.75393e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.462569961021078 (7.62106e-08% change) large trace change predicted (1.59484e-07%) linmin: converged after 4 iterations. iteration 19: trace = 4.462569953904024 (1.59483e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.46256994368324 (2.29034e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.462569934609524 (2.03329e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 4.462569927927913 (1.49726e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.462569924053902 (8.68112e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.462569921863484 (4.90842e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 4.462569921105942 (1.69755e-08% change) linmin: converged after 18 iterations. iteration 26: trace = 4.462569920846194 (5.82059e-09% change) linmin: converged after 18 iterations. iteration 27: trace = 4.462569920755986 (2.02143e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 4.462569920708029 (1.07465e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 4.462569920679469 (6.39996e-10% change) linmin: converged after 15 iterations. iteration 30: trace = 4.462569920665285 (3.17848e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.462569920661394 (8.71745e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423 elapsed time for k point: 0.10258078575134277 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.478658555603819 (0.729587% change) linmin: converged after 5 iterations. iteration 2: trace = 4.469039616062341 (0.215004% change) linmin: converged after 4 iterations. iteration 3: trace = 4.465022814409604 (0.0899211% change) linmin: converged after 4 iterations. iteration 4: trace = 4.462099683144574 (0.0654888% change) linmin: converged after 5 iterations. iteration 5: trace = 4.460047398383897 (0.0460043% change) linmin: converged after 4 iterations. iteration 6: trace = 4.459144908739186 (0.020237% change) linmin: converged after 4 iterations. iteration 7: trace = 4.458741257123712 (0.00905263% change) linmin: converged after 4 iterations. iteration 8: trace = 4.458626601085926 (0.00257152% change) linmin: converged after 4 iterations. iteration 9: trace = 4.458596309902849 (0.000679386% change) linmin: converged after 5 iterations. iteration 10: trace = 4.458587755439019 (0.000191865% change) linmin: converged after 6 iterations. iteration 11: trace = 4.458585207925357 (5.71372e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 4.45858449001386 (1.61018e-05% change) linmin: converged after 24 iterations. iteration 13: trace = 4.458584277335135 (4.7701e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.458584200806313 (1.71644e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458584152120826 (1.09195e-06% change) linmin: converged after 14 iterations. iteration 16: trace = 4.458584133462662 (4.18477e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.458584124789706 (1.94523e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458584118093987 (1.50176e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.458584108089635 (2.24384e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.458584093760502 (3.21383e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.458584070135795 (5.2987e-07% change) large trace change predicted (1.49556e-06%) linmin: converged after 12 iterations. iteration 22: trace = 4.458584003454766 (1.49557e-06% change) large trace change predicted (5.07369e-06%) linmin: converged after 3 iterations. iteration 23: trace = 4.458583777248651 (5.0735e-06% change) near maximum in trace linmin: converged after 18 iterations. iteration 24: trace = 4.458459762226113 (0.00278153% change) linmin: converged after 8 iterations. iteration 25: trace = 4.458458097222653 (3.73448e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.458456435414942 (3.72732e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458454780836334 (3.7111e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458453133770327 (3.69425e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 4.458451492344961 (3.6816e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 4.458449853546941 (3.67571e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 4.458448213826725 (3.67778e-05% change) linmin: converged after 9 iterations. iteration 32: trace = 4.458446569444464 (3.68824e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 4.458444916661476 (3.70708e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 4.458443251842857 (3.73408e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 4.458441571511066 (3.76888e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.458439872373875 (3.81106e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 4.45843815133906 (3.86017e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 4.458436405527778 (3.91575e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 4.458434632293662 (3.97726e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.458432829221961 (4.04418e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 4.458430994161017 (4.11593e-05% change) linmin: converged after 14 iterations. iteration 42: trace = 4.458429125248355 (4.19186e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 4.458427220938673 (4.27126e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.458425280015929 (4.35338e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 4.458423301666431 (4.43733e-05% change) linmin: converged after 8 iterations. iteration 46: trace = 4.458421285489043 (4.52218e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 4.458419231568029 (4.60684e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.458417140375668 (4.69044e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 4.458415012986048 (4.77163e-05% change) linmin: converged after 9 iterations. iteration 50: trace = 4.458412850959375 (4.84932e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 4.458410656393371 (4.9223e-05% change) linmin: converged after 10 iterations. iteration 52: trace = 4.458408431819379 (4.98961e-05% change) linmin: converged after 15 iterations. iteration 53: trace = 4.458406180361353 (5.04992e-05% change) linmin: converged after 7 iterations. iteration 54: trace = 4.458403905412517 (5.10261e-05% change) linmin: converged after 7 iterations. iteration 55: trace = 4.45840161065304 (5.14704e-05% change) linmin: converged after 16 iterations. iteration 56: trace = 4.458399300195559 (5.18226e-05% change) linmin: converged after 9 iterations. iteration 57: trace = 4.458396978238211 (5.20805e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 4.458394649064632 (5.22424e-05% change) linmin: converged after 11 iterations. iteration 59: trace = 4.45839231672281 (5.23135e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 4.458389985422865 (5.22902e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 4.458387658799612 (5.21853e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 4.458385340460435 (5.19995e-05% change) linmin: converged after 5 iterations. iteration 63: trace = 4.458383033641146 (5.17412e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 4.458380740987514 (5.14234e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 4.458378464950087 (5.10508e-05% change) linmin: converged after 9 iterations. iteration 66: trace = 4.458376207509239 (5.06337e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 4.458373970256708 (5.01809e-05% change) linmin: converged after 7 iterations. iteration 68: trace = 4.458371754419538 (4.97006e-05% change) linmin: converged after 6 iterations. iteration 69: trace = 4.458369560891834 (4.92002e-05% change) resetting CG direction... large trace change predicted (0.0705967%) linmin: converged after 3 iterations. iteration 70: trace = 4.455218432031194 (0.0707039% change) linmin: converged after 3 iterations. iteration 71: trace = 4.454076300097985 (0.0256391% change) linmin: converged after 3 iterations. iteration 72: trace = 4.453233408933235 (0.0189258% change) linmin: converged after 3 iterations. iteration 73: trace = 4.452750380332034 (0.0108473% change) linmin: converged after 3 iterations. iteration 74: trace = 4.45248621999205 (0.0059327% change) linmin: converged after 3 iterations. iteration 75: trace = 4.45238135297291 (0.00235527% change) linmin: converged after 4 iterations. iteration 76: trace = 4.452332140018962 (0.00110532% change) linmin: converged after 3 iterations. iteration 77: trace = 4.452312679335096 (0.000437091% change) linmin: converged after 3 iterations. iteration 78: trace = 4.452300707160372 (0.000268898% change) linmin: converged after 3 iterations. iteration 79: trace = 4.452288391133961 (0.000276622% change) linmin: converged after 4 iterations. iteration 80: trace = 4.452272801291765 (0.000350154% change) linmin: converged after 4 iterations. iteration 81: trace = 4.452249228852717 (0.000529449% change) linmin: converged after 3 iterations. iteration 82: trace = 4.452204258025057 (0.00101007% change) linmin: converged after 4 iterations. iteration 83: trace = 4.452119844389218 (0.00189601% change) linmin: converged after 3 iterations. iteration 84: trace = 4.45203054303226 (0.00200584% change) linmin: converged after 5 iterations. iteration 85: trace = 4.451975522790121 (0.00123585% change) linmin: converged after 3 iterations. iteration 86: trace = 4.451956336683962 (0.000430958% change) linmin: converged after 3 iterations. iteration 87: trace = 4.451951182947111 (0.000115763% change) linmin: converged after 3 iterations. iteration 88: trace = 4.45194992695437 (2.82122e-05% change) linmin: converged after 2 iterations. iteration 89: trace = 4.451949633717591 (6.5867e-06% change) linmin: converged after 2 iterations. iteration 90: trace = 4.451949555039655 (1.76727e-06% change) linmin: converged after 2 iterations. iteration 91: trace = 4.451949527224505 (6.24786e-07% change) linmin: converged after 20 iterations. iteration 92: trace = 4.451949519989437 (1.62515e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 4.451949518321356 (3.74686e-08% change) linmin: converged after 3 iterations. iteration 94: trace = 4.451949517531383 (1.77444e-08% change) linmin: converged after 3 iterations. iteration 95: trace = 4.45194951701959 (1.14959e-08% change) linmin: converged after 11 iterations. iteration 96: trace = 4.451949516565071 (1.02094e-08% change) linmin: converged after 2 iterations. iteration 97: trace = 4.451949516311299 (5.70025e-09% change) linmin: converged after 2 iterations. iteration 98: trace = 4.45194951618584 (2.81806e-09% change) linmin: converged after 3 iterations. iteration 99: trace = 4.451949516111402 (1.67202e-09% change) large trace change predicted (3.42048e-09%) linmin: converged after 3 iterations. iteration 100: trace = 4.451949515959129 (3.42038e-09% change) linmin: converged after 5 iterations. iteration 101: trace = 4.45194951567253 (6.43759e-09% change) linmin: converged after 3 iterations. iteration 102: trace = 4.451949515253565 (9.41083e-09% change) linmin: converged after 3 iterations. iteration 103: trace = 4.451949514776373 (1.07187e-08% change) linmin: converged after 2 iterations. iteration 104: trace = 4.451949514168423 (1.36558e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 4.451949513641425 (1.18375e-08% change) linmin: converged after 3 iterations. iteration 106: trace = 4.45194951344526 (4.40627e-09% change) linmin: converged after 12 iterations. iteration 107: trace = 4.451949513374773 (1.5833e-09% change) linmin: converged after 2 iterations. iteration 108: trace = 4.451949513356691 (4.06149e-10% change) linmin: converged after 4 iterations. iteration 109: trace = 4.451949513352739 (8.87789e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.29204559326171875 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117474 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.49243428236220704 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.526971050644882 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6568031427446027 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502104 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7383774303752573 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802602 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.825978716470153 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012379 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.8271634538840882 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529559 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 0.9984200611839871 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.0411551252079025 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2993049473117474) to band 2 (0.49243428236220704), 48.78609719263048% Gap from band 5 (0.7988168792802602) to band 6 (0.825978716470153), 3.343415905475546% Gap from band 7 (0.9834563303529559) to band 8 (0.9984200611839871), 1.5100569233207162% total elapsed time for run: 1.9510796070098877 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002098560333251953 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 9.345806662498543 (196.355% change) linmin: converged after 7 iterations. iteration 2: trace = 3.455682105603809 (92.0225% change) linmin: converged after 5 iterations. iteration 3: trace = 2.964925980590619 (15.2869% change) linmin: converged after 5 iterations. iteration 4: trace = 2.881973434637948 (2.83749% change) linmin: converged after 5 iterations. iteration 5: trace = 2.868382752776488 (0.47269% change) linmin: converged after 4 iterations. iteration 6: trace = 2.865183812544309 (0.111586% change) linmin: converged after 5 iterations. iteration 7: trace = 2.863590833741099 (0.0556132% change) linmin: converged after 4 iterations. iteration 8: trace = 2.862863745162171 (0.025394% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862718556173162 (0.00507159% change) linmin: converged after 7 iterations. iteration 10: trace = 2.862686082422818 (0.00113437% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862646034309393 (0.00139898% change) linmin: converged after 5 iterations. iteration 12: trace = 2.862568116843556 (0.00272191% change) linmin: converged after 5 iterations. iteration 13: trace = 2.862522529156347 (0.00159256% change) linmin: converged after 4 iterations. iteration 14: trace = 2.862507023053621 (0.000541695% change) linmin: converged after 4 iterations. iteration 15: trace = 2.8624970244307 (0.000349297% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862491945372417 (0.000177435% change) linmin: converged after 5 iterations. iteration 17: trace = 2.862490865834021 (3.77132e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 2.8624907260452 (4.88347e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.862490708248829 (6.21709e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 2.862490703921476 (1.51174e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 2.862490700442617 (1.21533e-07% change) linmin: converged after 13 iterations. iteration 22: trace = 2.862490696942737 (1.22267e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 2.862490694617053 (8.12468e-08% change) linmin: converged after 8 iterations. iteration 24: trace = 2.862490692196367 (8.45658e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 2.862490689635969 (8.94465e-08% change) linmin: converged after 6 iterations. iteration 26: trace = 2.862490688812153 (2.87797e-08% change) linmin: converged after 14 iterations. iteration 27: trace = 2.86249068865775 (5.39401e-09% change) linmin: converged after 16 iterations. iteration 28: trace = 2.862490688633992 (8.29988e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 2.862490688625448 (2.98475e-10% change) linmin: converged after 9 iterations. iteration 30: trace = 2.862490688620294 (1.80041e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.86249068861899 (4.55494e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 elapsed time for k point: 0.08451533317565918 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.859266533744322 (1.54925% change) linmin: converged after 5 iterations. iteration 2: trace = 2.842743885401787 (0.579538% change) linmin: converged after 5 iterations. iteration 3: trace = 2.837677720077269 (0.178373% change) linmin: converged after 4 iterations. iteration 4: trace = 2.836732000258409 (0.0333328% change) linmin: converged after 5 iterations. iteration 5: trace = 2.836186496133744 (0.0192319% change) linmin: converged after 5 iterations. iteration 6: trace = 2.835585889967723 (0.0211788% change) linmin: converged after 4 iterations. iteration 7: trace = 2.83532925090223 (0.00905106% change) linmin: converged after 4 iterations. iteration 8: trace = 2.835307580260289 (0.000764311% change) linmin: converged after 4 iterations. iteration 9: trace = 2.835302898412854 (0.000165127% change) linmin: converged after 5 iterations. iteration 10: trace = 2.835301638980056 (4.44197e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 2.835301372354519 (9.40378e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 2.835301336476825 (1.26539e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 2.835301332836303 (1.284e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 2.835301331052824 (6.29026e-08% change) linmin: converged after 9 iterations. iteration 15: trace = 2.835301329637784 (4.99079e-08% change) linmin: converged after 25 iterations. iteration 16: trace = 2.835301328974365 (2.33985e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 2.835301328638409 (1.18491e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.835301328502631 (4.78884e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 2.83530132848065 (7.75249e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 2.835301328478701 (6.87443e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 elapsed time for k point: 0.06701397895812988 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.801047583435341 (1.13558% change) linmin: converged after 5 iterations. iteration 2: trace = 2.796644378333248 (0.157322% change) linmin: converged after 4 iterations. iteration 3: trace = 2.7959288782003 (0.0255875% change) linmin: converged after 4 iterations. iteration 4: trace = 2.795770481181542 (0.00566543% change) linmin: converged after 9 iterations. iteration 5: trace = 2.795670517948602 (0.00357558% change) linmin: converged after 5 iterations. iteration 6: trace = 2.795637812105357 (0.00116988% change) linmin: converged after 5 iterations. iteration 7: trace = 2.795631405060591 (0.00022918% change) linmin: converged after 2 iterations. iteration 8: trace = 2.795630929521838 (1.70101e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.795630880408565 (1.75679e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.795630872968428 (2.66134e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.795630871760073 (4.3223e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.795630871631208 (4.60951e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 2.79563087161296 (6.52735e-10% change) linmin: converged after 9 iterations. iteration 14: trace = 2.795630871602821 (3.62689e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.795630871598374 (1.59058e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 2.795630871597671 (2.5162e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 elapsed time for k point: 0.053748369216918945 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 2.774998560215885 (0.956829% change) linmin: converged after 4 iterations. iteration 2: trace = 2.772244894227236 (0.0992805% change) linmin: converged after 5 iterations. iteration 3: trace = 2.771711795790375 (0.0192317% change) linmin: converged after 5 iterations. iteration 4: trace = 2.771603071908644 (0.0039227% change) linmin: converged after 5 iterations. iteration 5: trace = 2.77157333986107 (0.00107274% change) linmin: converged after 4 iterations. iteration 6: trace = 2.771567875220617 (0.000197168% change) linmin: converged after 4 iterations. iteration 7: trace = 2.771565848864933 (7.31123e-05% change) linmin: converged after 23 iterations. iteration 8: trace = 2.771565436133743 (1.48916e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.771565393911649 (1.5234e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.771565390637125 (1.18147e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 2.771565390406327 (8.32735e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.771565390385135 (7.6462e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 2.771565390382112 (1.09069e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 2.771565390381668 (1.6007e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 elapsed time for k point: 0.04721260070800781 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.76986289767915 (0.914068% change) linmin: converged after 4 iterations. iteration 2: trace = 2.7662366764232 (0.131003% change) linmin: converged after 4 iterations. iteration 3: trace = 2.764990799331567 (0.0450488% change) linmin: converged after 4 iterations. iteration 4: trace = 2.764690915212057 (0.0108463% change) linmin: converged after 5 iterations. iteration 5: trace = 2.764623520243719 (0.00243773% change) linmin: converged after 5 iterations. iteration 6: trace = 2.764618233702739 (0.000191221% change) linmin: converged after 3 iterations. iteration 7: trace = 2.764617446459626 (2.84757e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 2.764617148488824 (1.0778e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 2.764617097736615 (1.83578e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.764617094306763 (1.24062e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.764617094122716 (6.65725e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.764617094109743 (4.69258e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76461709410778 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 elapsed time for k point: 0.043923139572143555 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.776059205793774 (0.931493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.769429886165129 (0.239089% change) linmin: converged after 5 iterations. iteration 3: trace = 2.766409470118905 (0.109122% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76565530954431 (0.0272651% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765522422981642 (0.004805% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765515118332745 (0.000264133% change) linmin: converged after 10 iterations. iteration 7: trace = 2.765514720941248 (1.43695e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765514678058566 (1.55062e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 2.765514659876092 (6.57472e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765514655313923 (1.64966e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765514654640203 (2.43615e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765514654454889 (6.7009e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.76551465439036 (2.33334e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.765514654376136 (5.14325e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 2.765514654374652 (5.36501e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 elapsed time for k point: 0.05044102668762207 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.767583432193024 (0.36764% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766063309127015 (0.0549411% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76572899258955 (0.0120871% change) linmin: converged after 4 iterations. iteration 4: trace = 2.765669394833952 (0.00215489% change) linmin: converged after 6 iterations. iteration 5: trace = 2.765658289765336 (0.000401534% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765656674101838 (5.84188e-05% change) linmin: converged after 6 iterations. iteration 7: trace = 2.765656191162027 (1.7462e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.765656108679672 (2.98238e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765656098612789 (3.63996e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765656097543772 (3.86533e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765656097432821 (4.01172e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765656097370315 (2.26008e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76565609734533 (9.03415e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 2.765656097342629 (9.76443e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 elapsed time for k point: 0.04707741737365723 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.76828002496966 (0.361641% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766861173313224 (0.051267% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76653878249722 (0.0116525% change) linmin: converged after 5 iterations. iteration 4: trace = 2.766463876994901 (0.00270759% change) linmin: converged after 4 iterations. iteration 5: trace = 2.766444675349486 (0.000694089% change) linmin: converged after 5 iterations. iteration 6: trace = 2.766441155889404 (0.00012722% change) linmin: converged after 5 iterations. iteration 7: trace = 2.766440488279491 (2.41324e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 2.766440405119586 (3.00603e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766440395785974 (3.37387e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766440394337008 (5.23766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766440393560162 (2.80811e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.76644039313326 (1.54315e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766440393061447 (2.59585e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.76644039305401 (2.68819e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.766440393053365 (2.33086e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 elapsed time for k point: 0.05037355422973633 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.770564095893328 (0.348247% change) linmin: converged after 4 iterations. iteration 2: trace = 2.76931008042447 (0.0452723% change) linmin: converged after 5 iterations. iteration 3: trace = 2.769019050829584 (0.0105097% change) linmin: converged after 9 iterations. iteration 4: trace = 2.768934648753342 (0.00304813% change) linmin: converged after 5 iterations. iteration 5: trace = 2.768909972394437 (0.00089119% change) linmin: converged after 6 iterations. iteration 6: trace = 2.76890656309236 (0.000123128% change) linmin: converged after 5 iterations. iteration 7: trace = 2.768906106159755 (1.65023e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.76890604289365 (2.28488e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.76890602455087 (6.62456e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.768906007868233 (6.02499e-07% change) linmin: converged after 9 iterations. iteration 11: trace = 2.768905997652202 (3.68955e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 2.768905996400177 (4.52173e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.768905996267474 (4.79261e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.768905996251331 (5.83013e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.768905996249788 (5.57336e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 elapsed time for k point: 0.050421714782714844 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.775951451394892 (0.330999% change) linmin: converged after 4 iterations. iteration 2: trace = 2.774883098720279 (0.0384934% change) linmin: converged after 5 iterations. iteration 3: trace = 2.774640612554751 (0.00873899% change) linmin: converged after 5 iterations. iteration 4: trace = 2.77456099507157 (0.00286951% change) linmin: converged after 5 iterations. iteration 5: trace = 2.774534593258473 (0.000951572% change) linmin: converged after 5 iterations. iteration 6: trace = 2.774531225311689 (0.000121388% change) linmin: converged after 5 iterations. iteration 7: trace = 2.77453070076803 (1.89057e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.7745303594983 (1.23001e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 2.774529863123143 (1.78904e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.774529580681455 (1.01798e-05% change) linmin: converged after 17 iterations. iteration 11: trace = 2.774529533963527 (1.68381e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 2.774529531015568 (1.06251e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 2.774529530846425 (6.09627e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.774529530829859 (5.97101e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.774529530826867 (1.07816e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 2.774529530826193 (2.4313e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 elapsed time for k point: 0.05361628532409668 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.786010010558214 (0.314216% change) linmin: converged after 4 iterations. iteration 2: trace = 2.785094864088619 (0.0328533% change) linmin: converged after 4 iterations. iteration 3: trace = 2.784890622949262 (0.00733363% change) linmin: converged after 5 iterations. iteration 4: trace = 2.784815529272439 (0.0026965% change) linmin: converged after 5 iterations. iteration 5: trace = 2.784783018960979 (0.00116742% change) linmin: converged after 6 iterations. iteration 6: trace = 2.784775033132307 (0.000286767% change) linmin: converged after 5 iterations. iteration 7: trace = 2.784767387040601 (0.000274568% change) large trace change predicted (0.00145949%) linmin: converged after 4 iterations. iteration 8: trace = 2.784726863705416 (0.00145519% change) large trace change predicted (0.00560839%) linmin: converged after 6 iterations. iteration 9: trace = 2.784576806706098 (0.00538872% change) linmin: converged after 5 iterations. iteration 10: trace = 2.784434566582967 (0.00510827% change) linmin: converged after 3 iterations. iteration 11: trace = 2.784406387945227 (0.00101201% change) linmin: converged after 3 iterations. iteration 12: trace = 2.784404398152179 (7.1462e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 2.784404189729956 (7.48534e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 2.78440415106141 (1.38875e-06% change) linmin: converged after 25 iterations. iteration 15: trace = 2.784404143391648 (2.75454e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 2.784404142114112 (4.58818e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 2.784404141807702 (1.10045e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.784404141512631 (1.05973e-08% change) large trace change predicted (3.91071e-08%) linmin: converged after 13 iterations. iteration 19: trace = 2.784404140423732 (3.91071e-08% change) linmin: converged after 19 iterations. iteration 20: trace = 2.784404138303259 (7.61553e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 2.78440413567283 (9.44701e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 2.784404132526765 (1.12989e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 2.784404131138651 (4.98532e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 2.784404130765973 (1.33845e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 2.784404130704082 (2.22279e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 2.784404130699125 (1.78041e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 2.784404130698568 (1.99843e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 elapsed time for k point: 0.08899092674255371 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.77275399721332 (1.31493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.767398262717903 (0.193343% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766394048706148 (0.0362939% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76629435931601 (0.00360365% change) linmin: converged after 5 iterations. iteration 5: trace = 2.766278312431585 (0.000580088% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76627605571663 (8.15795e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 2.766275726375514 (1.19056e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.766275697025943 (1.06098e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766275694526924 (9.03387e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 2.76627569428374 (8.79103e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766275694243459 (1.45613e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.766275694206311 (1.34287e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766275694188479 (6.4462e-10% change) linmin: converged after 6 iterations. iteration 14: trace = 2.766275694185662 (1.01845e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.766275694185344 (1.14944e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 elapsed time for k point: 0.050269126892089844 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.77149286581312 (1.30013% change) linmin: converged after 5 iterations. iteration 2: trace = 2.766681096222237 (0.173767% change) linmin: converged after 4 iterations. iteration 3: trace = 2.765870731016941 (0.0292944% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76578435790659 (0.00312287% change) linmin: converged after 4 iterations. iteration 5: trace = 2.76576896412909 (0.000556581% change) linmin: converged after 6 iterations. iteration 6: trace = 2.76576691356746 (7.41408e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765766616476074 (1.07417e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765766581509603 (1.26426e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 2.765766575906306 (2.02595e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765766575033984 (3.154e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765766574972649 (2.21763e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.765766574968937 (1.34217e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76576657496863 (1.10951e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 elapsed time for k point: 0.0440211296081543 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.791470836862398 (1.28311% change) linmin: converged after 5 iterations. iteration 2: trace = 2.787458714099723 (0.143831% change) linmin: converged after 4 iterations. iteration 3: trace = 2.78692603308995 (0.0191117% change) linmin: converged after 4 iterations. iteration 4: trace = 2.786856117715398 (0.00250872% change) linmin: converged after 5 iterations. iteration 5: trace = 2.786833391429703 (0.000815484% change) linmin: converged after 5 iterations. iteration 6: trace = 2.786827001476857 (0.000229291% change) linmin: converged after 6 iterations. iteration 7: trace = 2.786825618414127 (4.96286e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.786825460368142 (5.67118e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.786825447118284 (4.75446e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.786825446092698 (3.68012e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.786825446011258 (2.92231e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 2.786825446005849 (1.94108e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 2.786825446005419 (1.54254e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 elapsed time for k point: 0.04413747787475586 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.834933245505366 (1.30701% change) linmin: converged after 3 iterations. iteration 2: trace = 2.830403965065332 (0.159894% change) linmin: converged after 4 iterations. iteration 3: trace = 2.829621813628175 (0.0276377% change) linmin: converged after 4 iterations. iteration 4: trace = 2.829419384307018 (0.00715419% change) linmin: converged after 5 iterations. iteration 5: trace = 2.829342538493453 (0.00271599% change) linmin: converged after 5 iterations. iteration 6: trace = 2.82930572621851 (0.0013011% change) linmin: converged after 6 iterations. iteration 7: trace = 2.829276325559083 (0.00103915% change) linmin: converged after 5 iterations. iteration 8: trace = 2.829270956342432 (0.000189774% change) linmin: converged after 4 iterations. iteration 9: trace = 2.829270335813132 (2.19325e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 2.829270284334401 (1.81951e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 2.829270280435277 (1.37814e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 2.829270280036006 (1.41121e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.829270279947548 (3.12655e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.829270279913449 (1.20522e-09% change) linmin: converged after 11 iterations. iteration 15: trace = 2.82927027989919 (5.03975e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 2.829270279889812 (3.31473e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 2.829270279885793 (1.42035e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 2.829270279885341 (1.59631e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 elapsed time for k point: 0.06020665168762207 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.886141685835956 (1.47203% change) linmin: converged after 5 iterations. iteration 2: trace = 2.874303792321654 (0.411006% change) linmin: converged after 12 iterations. iteration 3: trace = 2.867461048283285 (0.23835% change) linmin: converged after 4 iterations. iteration 4: trace = 2.86397233934153 (0.121739% change) linmin: converged after 4 iterations. iteration 5: trace = 2.863259526579745 (0.0248921% change) linmin: converged after 3 iterations. iteration 6: trace = 2.863087260462697 (0.00601661% change) linmin: converged after 4 iterations. iteration 7: trace = 2.862987569164019 (0.00348201% change) large trace change predicted (0.0075076%) linmin: converged after 5 iterations. iteration 8: trace = 2.862770998312602 (0.00756479% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862591893269431 (0.00625655% change) linmin: converged after 4 iterations. iteration 10: trace = 2.862540772328795 (0.00178584% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862503519861274 (0.00130139% change) linmin: converged after 10 iterations. iteration 12: trace = 2.862492614384059 (0.000380978% change) linmin: converged after 4 iterations. iteration 13: trace = 2.862491127238346 (5.19528e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 2.862490902676318 (7.84499e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 2.862490848354844 (1.8977e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862490815153666 (1.15987e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 2.862490774134773 (1.43298e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 2.862490747516468 (9.299e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 2.862490726725277 (7.26332e-07% change) linmin: converged after 28 iterations. iteration 20: trace = 2.862490701040741 (8.97279e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 2.862490690405778 (3.71528e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.862490688920428 (5.18901e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 2.86249068872468 (6.83836e-09% change) linmin: converged after 19 iterations. iteration 24: trace = 2.862490688677492 (1.64851e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 2.862490688650855 (9.30535e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 2.86249068864038 (3.65962e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 2.862490688636751 (1.2675e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 2.862490688630886 (2.0491e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 2.862490688622828 (2.81503e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 2.862490688619476 (1.171e-10% change) linmin: converged after 8 iterations. iteration 31: trace = 2.86249068861861 (3.02369e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 .elapsed time for k point: 0.08469080924987793 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378438 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046674 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448603 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980675 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4933684778826866 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268195 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.5810352468043717 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801372995 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.6825317446714997 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213788 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.6920145742134777 at Vector3<0.0, 0.0, 0.0> to 0.7841042622393077 at Vector3<0.0, 0.4, 0.0> Band 8 range: 0.7980077872594105 at Vector3<0.0, 0.4, 0.0> to 0.8982239424823445 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2800915681739989) to band 2 (0.2801552391378438), 0.022729612382946834% Gap from band 2 (0.3985126081046674) to band 3 (0.4390817228448603), 9.687055712089714% Gap from band 3 (0.49288810189980675) to band 4 (0.4933684778826866), 0.09741399808674674% Gap from band 4 (0.5808701365268195) to band 5 (0.5810352468043717), 0.028420606345552754% Gap from band 5 (0.6824860801372995) to band 6 (0.6825317446714997), 0.006690686871665024% Gap from band 7 (0.7841042622393077) to band 8 (0.7980077872594105), 1.7575904341930733% total elapsed time for run: 0.9239208698272705 done /tmp/meepREy4kN/test_tri_holes-0: 2.88s /tmp/meepREy4kN/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014395713806152344 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.06524825096130371 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.059308528900146484 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.04974985122680664 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.04674792289733887 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.043609619140625 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.04337739944458008 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.040366411209106445 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.04035377502441406 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.03409528732299805 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.03427743911743164 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.030719280242919922 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b08.z.tm.h5... solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957312 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510743 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525583 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380287 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309859 (1.7049e-10% change) linmin: converged after 3 iterations. iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.03717660903930664 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338974 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011073 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283281438838011 (0.00210466% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 7 iterations. iteration 6: trace = 4.28326657937046 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834247 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102651 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093189 (2.35676e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283266489000646 (2.16059e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.283266488991158 (2.21502e-10% change) linmin: converged after 11 iterations. iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.04021811485290527 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060165 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164763 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 13 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016636 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309537 (3.71634e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65554e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.410102274561973 (5.74616e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546353 (3.54196e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.04340171813964844 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101673 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258617 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323376 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553309 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244495 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738526 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347481 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618732 (7.91744e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781556 (2.7502e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.53451762276076 (4.58611e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.05616903305053711 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082276254 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477331197 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234815 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379737 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189929 (0.00557828% change) linmin: converged after 16 iterations. iteration 6: trace = 4.577915173102078 (0.000900408% change) linmin: converged after 8 iterations. iteration 7: trace = 4.577900193794617 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955983 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564553 (2.15468e-05% change) linmin: converged after 10 iterations. iteration 10: trace = 4.577894647524367 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981888 (3.39512e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.577894627560067 (9.65907e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684431 (1.91275e-08% change) linmin: converged after 7 iterations. iteration 14: trace = 4.577894626586341 (2.1427e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573657 (2.77072e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.04411506652832031 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 0.7271378040313721 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015120506286621094 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 17.36160904168523 (195.027% change) linmin: converged after 7 iterations. iteration 2: trace = 7.562476866233164 (78.6318% change) linmin: converged after 5 iterations. iteration 3: trace = 6.689988797283942 (12.2433% change) linmin: converged after 4 iterations. iteration 4: trace = 6.443872873233596 (3.74781% change) linmin: converged after 7 iterations. iteration 5: trace = 6.353949184309336 (1.4053% change) linmin: converged after 4 iterations. iteration 6: trace = 6.308924004687213 (0.711137% change) linmin: converged after 5 iterations. iteration 7: trace = 6.270403953073519 (0.612434% change) linmin: converged after 4 iterations. iteration 8: trace = 6.245962911349093 (0.390545% change) linmin: converged after 4 iterations. iteration 9: trace = 6.231123952690525 (0.237859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.222648387566821 (0.136112% change) linmin: converged after 4 iterations. iteration 11: trace = 6.218459085006945 (0.0673461% change) linmin: converged after 4 iterations. iteration 12: trace = 6.215474845128731 (0.0480015% change) linmin: converged after 4 iterations. iteration 13: trace = 6.213476033896002 (0.0321638% change) linmin: converged after 4 iterations. iteration 14: trace = 6.211799733839418 (0.0269821% change) linmin: converged after 4 iterations. iteration 15: trace = 6.210166322657484 (0.0262988% change) linmin: converged after 4 iterations. iteration 16: trace = 6.208765013189226 (0.0225673% change) linmin: converged after 3 iterations. iteration 17: trace = 6.20745864212499 (0.021043% change) linmin: converged after 3 iterations. iteration 18: trace = 6.206496965898328 (0.0154935% change) linmin: converged after 4 iterations. iteration 19: trace = 6.205910205793511 (0.00945441% change) linmin: converged after 4 iterations. iteration 20: trace = 6.205612235735023 (0.00480151% change) linmin: converged after 4 iterations. iteration 21: trace = 6.205499078041604 (0.00182349% change) linmin: converged after 4 iterations. iteration 22: trace = 6.205434445474109 (0.00104154% change) linmin: converged after 4 iterations. iteration 23: trace = 6.205390974318142 (0.000700536% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205367423163241 (0.000379528% change) linmin: converged after 4 iterations. iteration 25: trace = 6.205356899945473 (0.000169583% change) linmin: converged after 4 iterations. iteration 26: trace = 6.205352210725811 (7.55673e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.205348781520899 (5.52621e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 6.205345652519164 (5.04243e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.205343137714785 (4.05264e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 6.205341359594259 (2.86547e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.205340285757588 (1.7305e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.20533940186276 (1.42441e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 6.205338538782249 (1.39087e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.205338005701472 (8.59068e-06% change) linmin: converged after 12 iterations. iteration 35: trace = 6.205337792804401 (3.43087e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 6.205337727926739 (1.04551e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.205337700663021 (4.39359e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 6.205337682075854 (2.99535e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 6.205337670235149 (1.90815e-07% change) linmin: converged after 16 iterations. iteration 40: trace = 6.205337663603182 (1.06875e-07% change) linmin: converged after 17 iterations. iteration 41: trace = 6.205337659444976 (6.70102e-08% change) linmin: converged after 2 iterations. iteration 42: trace = 6.205337656270723 (5.11536e-08% change) linmin: converged after 3 iterations. iteration 43: trace = 6.205337653590539 (4.31916e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 6.205337651674612 (3.08755e-08% change) linmin: converged after 11 iterations. iteration 45: trace = 6.205337650112214 (2.51783e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 6.205337648922311 (1.91755e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 6.205337648157427 (1.23262e-08% change) linmin: converged after 11 iterations. iteration 48: trace = 6.205337647646608 (8.23193e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 6.205337647357136 (4.66488e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 6.205337647220228 (2.2063e-09% change) linmin: converged after 7 iterations. iteration 51: trace = 6.205337647170962 (7.93921e-10% change) linmin: converged after 5 iterations. iteration 52: trace = 6.205337647152469 (2.98014e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 6.205337647143446 (1.45421e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 6.205337647136502 (1.119e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 6.20533764713018 (1.01881e-10% change) linmin: converged after 2 iterations. iteration 56: trace = 6.205337647125866 (6.95189e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.1497490406036377 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.158539024420285 (1.66275% change) linmin: converged after 4 iterations. iteration 2: trace = 6.098032659807416 (0.987329% change) linmin: converged after 4 iterations. iteration 3: trace = 6.081903131798306 (0.264854% change) linmin: converged after 4 iterations. iteration 4: trace = 6.0743767056313 (0.123828% change) linmin: converged after 4 iterations. iteration 5: trace = 6.072216470542617 (0.0355694% change) linmin: converged after 3 iterations. iteration 6: trace = 6.071224930874287 (0.0163305% change) linmin: converged after 4 iterations. iteration 7: trace = 6.070791668858648 (0.00713657% change) linmin: converged after 4 iterations. iteration 8: trace = 6.070592820913727 (0.00327554% change) linmin: converged after 3 iterations. iteration 9: trace = 6.070504835682327 (0.00144938% change) linmin: converged after 3 iterations. iteration 10: trace = 6.070476174703718 (0.000472136% change) linmin: converged after 4 iterations. iteration 11: trace = 6.070466776951306 (0.000154811% change) linmin: converged after 4 iterations. iteration 12: trace = 6.070462362656812 (7.27176e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.070460758493462 (2.64257e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 6.070460318551028 (7.24727e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 6.070460193420171 (2.06131e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 6.070460137715083 (9.17642e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 6.070460108900737 (4.74665e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.070460095276794 (2.2443e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 6.070460086895674 (1.38064e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 6.070460079863565 (1.15841e-07% change) linmin: converged after 21 iterations. iteration 21: trace = 6.070460075401996 (7.34964e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.07046007280923 (4.27112e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 6.070460071630645 (1.94151e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.070460071141092 (8.06452e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.070460070886771 (4.18948e-09% change) linmin: converged after 17 iterations. iteration 26: trace = 6.070460070770777 (1.9108e-09% change) linmin: converged after 19 iterations. iteration 27: trace = 6.070460070719212 (8.49426e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 6.070460070698457 (3.41915e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.070460070686249 (2.01105e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 6.070460070677964 (1.36479e-10% change) linmin: converged after 7 iterations. iteration 31: trace = 6.070460070673303 (7.67843e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 elapsed time for k point: 0.10065174102783203 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.879585450105075 (0.610248% change) linmin: converged after 4 iterations. iteration 2: trace = 5.864179164990823 (0.262374% change) linmin: converged after 3 iterations. iteration 3: trace = 5.859434248091473 (0.0809463% change) linmin: converged after 4 iterations. iteration 4: trace = 5.85734339458572 (0.0356899% change) linmin: converged after 3 iterations. iteration 5: trace = 5.856604562107861 (0.0126146% change) linmin: converged after 3 iterations. iteration 6: trace = 5.856366774447974 (0.00406024% change) linmin: converged after 3 iterations. iteration 7: trace = 5.856287811142867 (0.00134834% change) linmin: converged after 4 iterations. iteration 8: trace = 5.8562580469796 (0.000508244% change) linmin: converged after 3 iterations. iteration 9: trace = 5.856247804313772 (0.000174901% change) linmin: converged after 4 iterations. iteration 10: trace = 5.85624293285553 (8.3184e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.856240727525849 (3.76578e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.856239109988362 (2.76208e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.856238145767128 (1.64649e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 5.856237866910514 (4.7617e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.856237777124198 (1.53317e-06% change) linmin: converged after 9 iterations. iteration 16: trace = 5.856237751868005 (4.3127e-07% change) linmin: converged after 14 iterations. iteration 17: trace = 5.856237743987796 (1.34561e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.856237740787504 (5.46476e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.856237739089932 (2.89874e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.856237737682887 (2.40264e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.856237736546375 (1.94069e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.856237735790081 (1.29143e-08% change) linmin: converged after 12 iterations. iteration 23: trace = 5.856237735217746 (9.77308e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.856237734948408 (4.59917e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.85623773479514 (2.61718e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.856237734734318 (1.03858e-09% change) linmin: converged after 7 iterations. iteration 27: trace = 5.8562377347143 (3.4182e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.856237734707856 (1.10047e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.856237734706174 (2.87099e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 elapsed time for k point: 0.09404301643371582 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.688335296912762 (0.327793% change) linmin: converged after 4 iterations. iteration 2: trace = 5.682021917679271 (0.11105% change) linmin: converged after 3 iterations. iteration 3: trace = 5.680153605103612 (0.0328865% change) linmin: converged after 4 iterations. iteration 4: trace = 5.679577245559956 (0.0101474% change) linmin: converged after 4 iterations. iteration 5: trace = 5.679381210031131 (0.00345165% change) linmin: converged after 4 iterations. iteration 6: trace = 5.679338397146944 (0.000753833% change) linmin: converged after 3 iterations. iteration 7: trace = 5.679327009082156 (0.000200518% change) linmin: converged after 5 iterations. iteration 8: trace = 5.679321501429015 (9.69773e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.679318695796002 (4.94009e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.679317068872693 (2.86465e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.679316526996136 (9.54123e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.67931632497745 (3.5571e-06% change) linmin: converged after 24 iterations. iteration 13: trace = 5.679316252366132 (1.27852e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.679316236097754 (2.8645e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.679316231672791 (7.79137e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.679316229977098 (2.98574e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.679316229108179 (1.52997e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.679316228341648 (1.34969e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.679316227585913 (1.33068e-08% change) linmin: converged after 11 iterations. iteration 20: trace = 5.679316226988038 (1.05272e-08% change) linmin: converged after 12 iterations. iteration 21: trace = 5.679316226705491 (4.97502e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.679316226637818 (1.19157e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.679316226609474 (4.99066e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.679316226600841 (1.52009e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.679316226598069 (4.88088e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 elapsed time for k point: 0.08135390281677246 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.572181213523258 (0.241977% change) linmin: converged after 4 iterations. iteration 2: trace = 5.568600925705777 (0.0642735% change) linmin: converged after 4 iterations. iteration 3: trace = 5.567657736853494 (0.0169391% change) linmin: converged after 4 iterations. iteration 4: trace = 5.567444170135015 (0.00383592% change) linmin: converged after 6 iterations. iteration 5: trace = 5.56737762049015 (0.00119534% change) linmin: converged after 3 iterations. iteration 6: trace = 5.567363512847024 (0.000253399% change) linmin: converged after 3 iterations. iteration 7: trace = 5.567360010913097 (6.29011e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.567358378549423 (2.93203e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567357563479846 (1.46402e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567357125846613 (7.8607e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567356991067824 (2.42088e-06% change) linmin: converged after 10 iterations. iteration 12: trace = 5.56735695750588 (6.02834e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567356948843483 (1.55593e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.56735694679832 (3.67349e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.567356946093132 (1.26665e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.567356945636325 (8.2051e-09% change) linmin: converged after 23 iterations. iteration 17: trace = 5.567356945304206 (5.96547e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.567356944950225 (6.35815e-09% change) linmin: converged after 13 iterations. iteration 19: trace = 5.567356944690506 (4.66504e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.567356944584955 (1.89588e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.567356944550361 (6.21382e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567356944542208 (1.46436e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.567356944539206 (5.39222e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 elapsed time for k point: 0.07503366470336914 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.53273810674195 (0.208662% change) linmin: converged after 4 iterations. iteration 2: trace = 5.530094842108783 (0.0477864% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529443009715253 (0.0117877% change) linmin: converged after 4 iterations. iteration 4: trace = 5.529317903820751 (0.00226257% change) linmin: converged after 5 iterations. iteration 5: trace = 5.529282320152151 (0.000643547% change) linmin: converged after 3 iterations. iteration 6: trace = 5.529274170469025 (0.000147391% change) linmin: converged after 4 iterations. iteration 7: trace = 5.529272236624154 (3.49747e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.529271606108956 (1.14032e-05% change) linmin: converged after 26 iterations. iteration 9: trace = 5.529271436020496 (3.07615e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 5.529271373878374 (1.12388e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.529271337491399 (6.58079e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.529271320740965 (3.02941e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.529271315549563 (9.38894e-08% change) linmin: converged after 6 iterations. iteration 14: trace = 5.529271314495562 (1.90622e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.529271314233555 (4.73853e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.529271314081587 (2.74843e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.529271313980214 (1.83339e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.529271313876957 (1.86746e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.52927131377775 (1.79421e-09% change) linmin: converged after 13 iterations. iteration 20: trace = 5.529271313733426 (8.01618e-10% change) linmin: converged after 11 iterations. iteration 21: trace = 5.529271313721342 (2.18556e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.529271313719439 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 elapsed time for k point: 0.07184863090515137 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.538985517448269 (0.141109% change) linmin: converged after 4 iterations. iteration 2: trace = 5.534550185471011 (0.0801069% change) linmin: converged after 4 iterations. iteration 3: trace = 5.53328893111629 (0.0227913% change) linmin: converged after 4 iterations. iteration 4: trace = 5.532631711818752 (0.0118783% change) linmin: converged after 4 iterations. iteration 5: trace = 5.532342815996529 (0.00522181% change) linmin: converged after 5 iterations. iteration 6: trace = 5.53223657988561 (0.00192029% change) linmin: converged after 10 iterations. iteration 7: trace = 5.532184612246406 (0.000939365% change) linmin: converged after 5 iterations. iteration 8: trace = 5.532165289409572 (0.000349281% change) linmin: converged after 6 iterations. iteration 9: trace = 5.53215699790288 (0.000149878% change) linmin: converged after 5 iterations. iteration 10: trace = 5.532154378963375 (4.73403e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.532153853741139 (9.49399e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.532153673436557 (3.25921e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.53215362460911 (8.82612e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.532153611036561 (2.45339e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.532153607469195 (6.44842e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.532153606672814 (1.43955e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.53215360642539 (4.47248e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.532153606309885 (2.08788e-09% change) linmin: converged after 7 iterations. iteration 19: trace = 5.532153606238235 (1.29516e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.532153606171856 (1.19987e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 5.532153606115745 (1.01426e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.532153606087498 (5.10608e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.532153606073365 (2.55465e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.53215360606891 (8.05311e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 elapsed time for k point: 0.07804155349731445 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.545510165467671 (0.156486% change) linmin: converged after 3 iterations. iteration 2: trace = 5.53970135058995 (0.104803% change) linmin: converged after 4 iterations. iteration 3: trace = 5.537423366333638 (0.0411295% change) linmin: converged after 4 iterations. iteration 4: trace = 5.535869635928369 (0.0280627% change) linmin: converged after 4 iterations. iteration 5: trace = 5.535105335921414 (0.0138073% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53483989949765 (0.00479562% change) linmin: converged after 4 iterations. iteration 7: trace = 5.534735453565166 (0.00188708% change) linmin: converged after 4 iterations. iteration 8: trace = 5.534709296156107 (0.000472606% change) linmin: converged after 4 iterations. iteration 9: trace = 5.534699673866182 (0.000173854% change) linmin: converged after 8 iterations. iteration 10: trace = 5.534696883149076 (5.04222e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.534696297656427 (1.05786e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.534696086069314 (3.82292e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.534696023141974 (1.13696e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.534696003432254 (3.56112e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.534695997023212 (1.15798e-07% change) linmin: converged after 12 iterations. iteration 16: trace = 5.534695995144546 (3.39434e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.534695994510907 (1.14485e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.534695994207872 (5.47519e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.534695994030399 (3.20656e-09% change) linmin: converged after 12 iterations. iteration 20: trace = 5.534695993871264 (2.87522e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.534695993784569 (1.56638e-09% change) linmin: converged after 7 iterations. iteration 22: trace = 5.534695993753224 (5.66347e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.534695993742776 (1.88766e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.534695993739176 (6.50404e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 elapsed time for k point: 0.07812023162841797 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.539951339880242 (0.178088% change) linmin: converged after 4 iterations. iteration 2: trace = 5.532912895847705 (0.12713% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529976673731458 (0.0530824% change) linmin: converged after 4 iterations. iteration 4: trace = 5.528255687466732 (0.0311259% change) linmin: converged after 4 iterations. iteration 5: trace = 5.527477327141118 (0.0140807% change) linmin: converged after 3 iterations. iteration 6: trace = 5.527260627433148 (0.00392049% change) linmin: converged after 4 iterations. iteration 7: trace = 5.527174950010757 (0.0015501% change) linmin: converged after 4 iterations. iteration 8: trace = 5.527154244268933 (0.000374618% change) linmin: converged after 4 iterations. iteration 9: trace = 5.527144578125395 (0.000174885% change) linmin: converged after 2 iterations. iteration 10: trace = 5.527141353729434 (5.83375e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.527140472049874 (1.59518e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.527140149104516 (5.8429e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.527140063332194 (1.55184e-06% change) linmin: converged after 16 iterations. iteration 14: trace = 5.527140039497723 (4.31226e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.527140030767502 (1.57952e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.527140027391178 (6.10863e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.527140025708313 (3.04473e-08% change) linmin: converged after 14 iterations. iteration 18: trace = 5.527140024739849 (1.7522e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 5.52714002424971 (8.86785e-09% change) linmin: converged after 15 iterations. iteration 20: trace = 5.527140024034408 (3.89537e-09% change) linmin: converged after 16 iterations. iteration 21: trace = 5.527140023982145 (9.45556e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.527140023969887 (2.2179e-10% change) linmin: converged after 15 iterations. iteration 23: trace = 5.527140023966947 (5.31897e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 elapsed time for k point: 0.07517600059509277 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.522657858711453 (0.154096% change) linmin: converged after 4 iterations. iteration 2: trace = 5.51765344023986 (0.0906572% change) linmin: converged after 4 iterations. iteration 3: trace = 5.515894145978647 (0.0318899% change) linmin: converged after 4 iterations. iteration 4: trace = 5.515136110127697 (0.0137437% change) linmin: converged after 5 iterations. iteration 5: trace = 5.514757022135095 (0.00687383% change) linmin: converged after 12 iterations. iteration 6: trace = 5.514652113037982 (0.00190235% change) linmin: converged after 4 iterations. iteration 7: trace = 5.514602232259413 (0.000904518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.514589888306563 (0.000223841% change) linmin: converged after 5 iterations. iteration 9: trace = 5.514584139299159 (0.000104251% change) linmin: converged after 5 iterations. iteration 10: trace = 5.514582298956496 (3.33723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.514581753925765 (9.88345e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.51458155129702 (3.67442e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.514581501626841 (9.00706e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.514581491384362 (1.85734e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.514581488005883 (6.12645e-08% change) linmin: converged after 37 iterations. iteration 16: trace = 5.514581486953495 (1.90837e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.514581486665204 (5.2278e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.514581486577281 (1.59437e-09% change) linmin: converged after 8 iterations. iteration 19: trace = 5.514581486551829 (4.6155e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.514581486536885 (2.70983e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.51458148652924 (1.3864e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.514581486526159 (5.58717e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 elapsed time for k point: 0.07211613655090332 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.513146354883722 (0.11801% change) linmin: converged after 3 iterations. iteration 2: trace = 5.510121677342044 (0.0548781% change) linmin: converged after 4 iterations. iteration 3: trace = 5.509211811143087 (0.016514% change) linmin: converged after 4 iterations. iteration 4: trace = 5.508907839981763 (0.00551766% change) linmin: converged after 3 iterations. iteration 5: trace = 5.508737669131319 (0.00308906% change) linmin: converged after 4 iterations. iteration 6: trace = 5.508683639257633 (0.000980808% change) linmin: converged after 4 iterations. iteration 7: trace = 5.50865412206727 (0.000535832% change) linmin: converged after 4 iterations. iteration 8: trace = 5.50864669288852 (0.000134864% change) linmin: converged after 6 iterations. iteration 9: trace = 5.508643590274295 (5.63226e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.508642644310975 (1.71723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.50864236513062 (5.06804e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.508642262323828 (1.86628e-06% change) linmin: converged after 8 iterations. iteration 13: trace = 5.50864223788113 (4.43715e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.508642233589994 (7.78982e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.508642232550772 (1.88653e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.508642232232834 (5.77163e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.5086422321571 (1.37482e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.508642232135503 (3.92056e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.508642232131606 (7.07332e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 elapsed time for k point: 0.06235837936401367 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.55058118313115 (0.389346% change) linmin: converged after 4 iterations. iteration 2: trace = 5.542766757881417 (0.140885% change) linmin: converged after 4 iterations. iteration 3: trace = 5.540530252342469 (0.0403581% change) linmin: converged after 4 iterations. iteration 4: trace = 5.539782553670534 (0.013496% change) linmin: converged after 4 iterations. iteration 5: trace = 5.539265295830601 (0.00933759% change) linmin: converged after 4 iterations. iteration 6: trace = 5.539067918395565 (0.00356331% change) linmin: converged after 4 iterations. iteration 7: trace = 5.538979756672791 (0.00159165% change) linmin: converged after 5 iterations. iteration 8: trace = 5.538958695418 (0.000380238% change) linmin: converged after 10 iterations. iteration 9: trace = 5.538951634380076 (0.00012748% change) linmin: converged after 5 iterations. iteration 10: trace = 5.538948975756819 (4.79987e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 5.538948192460806 (1.41416e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.538947835307317 (6.44804e-06% change) linmin: converged after 8 iterations. iteration 13: trace = 5.538947686577423 (2.68517e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.538947636561917 (9.02978e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.538947618030138 (3.34572e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538947613905355 (7.44687e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.538947613187684 (1.29568e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.538947612989022 (3.58665e-09% change) linmin: converged after 10 iterations. iteration 19: trace = 5.538947612948638 (7.29086e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538947612937269 (2.0525e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.538947612933673 (6.49263e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 elapsed time for k point: 0.06890177726745605 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.647301200611738 (0.329684% change) linmin: converged after 4 iterations. iteration 2: trace = 5.640927549608877 (0.112926% change) linmin: converged after 4 iterations. iteration 3: trace = 5.638790479454456 (0.0378923% change) linmin: converged after 4 iterations. iteration 4: trace = 5.637897868749102 (0.0158311% change) linmin: converged after 4 iterations. iteration 5: trace = 5.637265321496212 (0.0112202% change) linmin: converged after 4 iterations. iteration 6: trace = 5.637035875264222 (0.00407025% change) linmin: converged after 4 iterations. iteration 7: trace = 5.636936166368233 (0.00176883% change) linmin: converged after 3 iterations. iteration 8: trace = 5.636905106755414 (0.000551003% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636896042414138 (0.000160804% change) linmin: converged after 4 iterations. iteration 10: trace = 5.636893338294144 (4.79718e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.63689288185743 (8.09731e-06% change) linmin: converged after 20 iterations. iteration 12: trace = 5.636892759768465 (2.16589e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.636892722735103 (6.56982e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.636892712210973 (1.86701e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.636892708239743 (7.04507e-08% change) linmin: converged after 29 iterations. iteration 16: trace = 5.636892706830092 (2.50076e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 5.636892706179626 (1.15394e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 5.636892705778898 (7.10903e-09% change) linmin: converged after 18 iterations. iteration 19: trace = 5.636892705608984 (3.01432e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.636892705551562 (1.01869e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.636892705530972 (3.65268e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.636892705526574 (7.80263e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 elapsed time for k point: 0.07238912582397461 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.818503972293691 (0.323359% change) linmin: converged after 4 iterations. iteration 2: trace = 5.811864946631749 (0.114167% change) linmin: converged after 3 iterations. iteration 3: trace = 5.80959695559026 (0.0390311% change) linmin: converged after 4 iterations. iteration 4: trace = 5.808664036811325 (0.0160595% change) linmin: converged after 4 iterations. iteration 5: trace = 5.808059684314398 (0.0104049% change) linmin: converged after 4 iterations. iteration 6: trace = 5.807780352579808 (0.0048095% change) linmin: converged after 4 iterations. iteration 7: trace = 5.807591816899011 (0.00324631% change) linmin: converged after 4 iterations. iteration 8: trace = 5.807497036546474 (0.00163202% change) linmin: converged after 6 iterations. iteration 9: trace = 5.807463230771279 (0.000582107% change) linmin: converged after 4 iterations. iteration 10: trace = 5.807448604624893 (0.000251851% change) linmin: converged after 4 iterations. iteration 11: trace = 5.807443106317815 (9.46769e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.807439494876415 (6.21864e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.807437481552949 (3.4668e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.807436670284365 (1.39695e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.807436289960402 (6.54891e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.807436162892385 (2.18802e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.807436126334485 (6.29502e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.807436116187895 (1.74717e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.807436113287419 (4.99442e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.807436112416773 (1.49919e-08% change) linmin: converged after 8 iterations. iteration 21: trace = 5.807436112088626 (5.65047e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.807436111990084 (1.69682e-09% change) linmin: converged after 16 iterations. iteration 23: trace = 5.807436111928493 (1.06055e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.807436111892697 (6.16387e-10% change) linmin: converged after 10 iterations. iteration 25: trace = 5.807436111861503 (5.37134e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.807436111844972 (2.84648e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 5.807436111839939 (8.667e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 elapsed time for k point: 0.0878603458404541 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.058568816406366 (0.404469% change) linmin: converged after 4 iterations. iteration 2: trace = 6.047217423444727 (0.187537% change) linmin: converged after 4 iterations. iteration 3: trace = 6.0428693536347 (0.0719279% change) linmin: converged after 4 iterations. iteration 4: trace = 6.041115569071303 (0.0290266% change) linmin: converged after 3 iterations. iteration 5: trace = 6.040281476957603 (0.0138079% change) linmin: converged after 3 iterations. iteration 6: trace = 6.039949783541457 (0.00549151% change) linmin: converged after 3 iterations. iteration 7: trace = 6.039732337732385 (0.00360019% change) linmin: converged after 4 iterations. iteration 8: trace = 6.039536476498154 (0.00324293% change) linmin: converged after 5 iterations. iteration 9: trace = 6.039366429150508 (0.00281561% change) linmin: converged after 4 iterations. iteration 10: trace = 6.039238347543021 (0.0021208% change) linmin: converged after 3 iterations. iteration 11: trace = 6.039190527154679 (0.000791831% change) linmin: converged after 4 iterations. iteration 12: trace = 6.039166804291315 (0.000392816% change) linmin: converged after 4 iterations. iteration 13: trace = 6.039155082215229 (0.000194101% change) linmin: converged after 4 iterations. iteration 14: trace = 6.039151356031256 (6.17004e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.039149892355141 (2.42365e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 6.039149291361488 (9.95163e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 6.039148998716701 (4.84579e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.039148870832841 (2.11758e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 6.039148806998382 (1.05701e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 6.039148770819057 (5.9908e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.039148755038091 (2.61311e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.039148750226732 (7.96695e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.039148748437229 (2.96317e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.039148747735014 (1.16277e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 6.039148747103849 (1.04512e-08% change) linmin: converged after 13 iterations. iteration 26: trace = 6.039148746498664 (1.0021e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 6.039148745995293 (8.33513e-09% change) linmin: converged after 27 iterations. iteration 28: trace = 6.039148745700733 (4.87751e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 6.039148745569342 (2.17565e-09% change) linmin: converged after 9 iterations. iteration 30: trace = 6.039148745510182 (9.79605e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 6.039148745490022 (3.33834e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 6.039148745481262 (1.45055e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 6.03914874547851 (4.55623e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 elapsed time for k point: 0.10661005973815918 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. iteration 1: trace = 6.298730915271923 (0.895356% change) linmin: converged after 5 iterations. iteration 2: trace = 6.245437546859799 (0.849692% change) linmin: converged after 4 iterations. iteration 3: trace = 6.223334153898405 (0.35454% change) linmin: converged after 4 iterations. iteration 4: trace = 6.211975635419504 (0.182682% change) linmin: converged after 4 iterations. iteration 5: trace = 6.208144497511515 (0.0616924% change) linmin: converged after 3 iterations. iteration 6: trace = 6.206836175369097 (0.0210765% change) linmin: converged after 4 iterations. iteration 7: trace = 6.206168982919507 (0.0107499% change) linmin: converged after 4 iterations. iteration 8: trace = 6.205804637845149 (0.00587086% change) linmin: converged after 4 iterations. iteration 9: trace = 6.205532505964936 (0.00438521% change) linmin: converged after 4 iterations. iteration 10: trace = 6.205428325423106 (0.00167885% change) linmin: converged after 4 iterations. iteration 11: trace = 6.205403953115949 (0.000392759% change) linmin: converged after 4 iterations. iteration 12: trace = 6.205389695901296 (0.000229755% change) linmin: converged after 8 iterations. iteration 13: trace = 6.205378818817473 (0.000175285% change) linmin: converged after 4 iterations. iteration 14: trace = 6.205369022899885 (0.000157862% change) linmin: converged after 4 iterations. iteration 15: trace = 6.205362148408089 (0.000110783% change) linmin: converged after 5 iterations. iteration 16: trace = 6.205354260892521 (0.000127108% change) linmin: converged after 5 iterations. iteration 17: trace = 6.205347521566777 (0.000108605% change) linmin: converged after 5 iterations. iteration 18: trace = 6.205343387171193 (6.66264e-05% change) linmin: converged after 6 iterations. iteration 19: trace = 6.205340291032243 (4.98947e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 6.205338895537121 (2.24886e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 6.205338348830022 (8.81027e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 6.205338035122779 (5.05544e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 6.205337843118102 (3.09419e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 6.205337736263875 (1.72197e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 6.205337681834897 (8.77132e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.205337658438697 (3.77033e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.20533765017481 (1.33174e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 6.205337648379762 (2.89275e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 6.20533764781293 (9.1346e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.205337647526114 (4.62208e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.205337647305309 (3.5583e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 6.205337647187878 (1.89243e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.205337647139043 (7.86979e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 6.205337647127346 (1.8849e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 6.205337647122201 (8.2916e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.09411120414733887 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675777 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4730722390280759 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714032 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839753 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.7676614799039002 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191522 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.865194814441527 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594299 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8652307994936863 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.033423091041983 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.021367669109369 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575178 at Vector3<0.0, 0.0, 0.0> Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.1168107191255356 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714032) to band 3 (0.5631505198559037), 0.007916844195590661% Gap from band 4 (0.8214230044191522) to band 5 (0.865194814441527), 5.190483526605094% total elapsed time for run: 1.3710074424743652 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors Read Bloch wavevector (0, 0, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 ./tmp/meepREy4kN/test_tri_rods-0: 2.11s /tmp/meepREy4kN/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014548301696777344 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.06618070602416992 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.06033587455749512 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.05080246925354004 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.04791831970214844 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.04458332061767578 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.044484615325927734 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.041573286056518555 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.04140472412109375 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.03475499153137207 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.03496956825256348 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.03137016296386719 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861228 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957313 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510742 (0.000784095% change) linmin: converged after 4 iterations. iteration 5: trace = 4.197854429378012 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525582 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380288 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.197854050317017 (2.34222e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.197854050309857 (1.70554e-10% change) linmin: converged after 15 iterations. iteration 11: trace = 4.1978540503093 (1.3266e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.037930965423583984 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338976 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283281438838009 (0.00210466% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283266579370458 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834246 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102653 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093188 (2.35676e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000646 (2.16055e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.28326648899116 (2.21481e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.283266488990684 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.04100298881530762 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060166 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164766 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 6 iterations. iteration 5: trace = 4.410114427040233 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016632 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309542 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815384 (5.65556e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561977 (5.74606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.410102274546349 (3.54377e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.410102274545239 (2.51544e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.044402122497558594 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101822 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.54456039825868 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323391 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319922 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738525 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347479 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618735 (7.91743e-08% change) linmin: converged after 10 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781561 (2.75014e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.534517622760761 (4.5869e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.534517622757202 (7.84853e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.05785512924194336 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082274213 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330618 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234686 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379698 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189922 (0.00557828% change) linmin: converged after 6 iterations. iteration 6: trace = 4.577915173102074 (0.000900408% change) linmin: converged after 6 iterations. iteration 7: trace = 4.577900193795435 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955969 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564437 (2.15468e-05% change) linmin: converged after 9 iterations. iteration 10: trace = 4.577894647524328 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981878 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560065 (9.65905e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577894626684427 (1.91275e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.577894626586346 (2.14248e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573654 (2.77247e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894626572483 (2.55711e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 .. ====================================================================== FAIL: test_diamond (__main__.TestModeSolver.test_diamond) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 905, in test_diamond self.compare_h5_files(ref_path, res_path) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 236, in compare_h5_files compare_arrays(self, ref[k][()], res[k][()], tol=tol) File "/build/reproducible-path/meep-1.25.0/python/tests/utils.py", line 17, in compare_arrays test_instance.assertLess(diff, tol) AssertionError: 0.6768966296099591 not less than 0.001 ====================================================================== FAIL: test_epsilon_input_file (__main__.TestModeSolver.test_epsilon_input_file) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 1743, in test_epsilon_input_file self.check_gap_list(expected_gap_list, ms.gap_list) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 212, in check_gap_list self.check_freqs(expected_gap_list, result) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 209, in check_freqs self.assertAlmostEqual(r, e, places=3) AssertionError: 1.4651880980149015 != 1.469257717113039 within 3 places (0.004069619098137522 difference) ====================================================================== FAIL: test_hole_slab (__main__.TestModeSolver.test_hole_slab) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 934, in test_hole_slab self.compare_h5_files(ref_path, res_path) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 234, in compare_h5_files self.assertEqual(ref[k][()], res[k][()]) AssertionError: b'h field, kpoint 1, band 9, freq=0.592619' != b'h field, kpoint 1, band 9, freq=0.59253' ====================================================================== FAIL: test_output_efield_z (__main__.TestModeSolver.test_output_efield_z) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 570, in test_output_efield_z self.compare_h5_files(ref_path, res_path) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 236, in compare_h5_files compare_arrays(self, ref[k][()], res[k][()], tol=tol) File "/build/reproducible-path/meep-1.25.0/python/tests/utils.py", line 17, in compare_arrays test_instance.assertLess(diff, tol) AssertionError: 0.001622068955755336 not less than 0.001 ====================================================================== FAIL: test_strip (__main__.TestModeSolver.test_strip) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 1193, in test_strip self.assertAlmostEqual(e, r, places=3) AssertionError: -0.9945407488966614 != -0.9950905165813099 within 3 places (0.0005497676846484278 difference) ---------------------------------------------------------------------- Ran 47 tests in 262.204s FAILED (failures=5) elapsed time for k point: 0.04467511177062988 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797745 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585141 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797745) to band 4 (0.5932960873585141), 5.674064623695046% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 0.7268800735473633 done /tmp/meepREy4kN/test_triangular_lattice-0: 0.73s /tmp/meepREy4kN/test_update_band_range_data-0 ======================== /tmp/meepREy4kN/test_update_band_range_data-0: 0.00s Elapsed run time = 262.2308 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_multilevel_atom ================================ Matplotlib created a temporary cache directory at /tmp/matplotlib-62qog9rq because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... time for choose_chunkdivision = 3.50475e-05 s Working in 1D dimensions. Computational cell is 0 x 0 x 3 with resolution 40 block, center = (0,0,-1) size (1e+20,1e+20,1) axes (1,0,0), (0,1,0), (0,0,1) dielectric constant epsilon diagonal = (2.25,2.25,2.25) time for set_epsilon = 8.70228e-05 s multilevel atom susceptibility ----------- Meep progress: 3000.4875/7000.0 = 42.9% done in 4.0s, 5.3s to go on time step 240039 (time=3000.49), 1.66641e-05 s/step Meep progress: 6001.725/7000.0 = 85.7% done in 8.0s, 1.3s to go on time step 480141 (time=6001.76), 1.66597e-05 s/step F ====================================================================== FAIL: test_multilevel_atom (__main__.TestMultiLevelAtom.test_multilevel_atom) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_multilevel_atom.py", line 77, in test_multilevel_atom sim.run(mp.at_end(check_field), until=7000) File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4452, in run self._run_until(until, step_funcs) File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 2643, in _run_until _eval_step_func(self, func, "finish") File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4918, in _eval_step_func func(sim, todo) File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4999, in _end _eval_step_func(sim, func, "step") File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4916, in _eval_step_func func(sim) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_multilevel_atom.py", line 73, in check_field self.assertAlmostEqual(fp, -2.7110969214986387) AssertionError: -0.04452311652305546 != -2.7110969214986387 within 7 places (2.666573804975583 difference) ---------------------------------------------------------------------- Ran 1 test in 9.333s FAILED (failures=1) Elapsed run time = 9.3348 s FAIL tests/test_multilevel_atom.py (exit status: 1) FAIL: tests/test_refl_angular ============================= Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_refl_angular.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_refl_angular.py (exit status: 1) FAIL: tests/test_ring ===================== Matplotlib created a temporary cache directory at /tmp/matplotlib-44b8qz88 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... Halving computational cell along direction y time for choose_chunkdivision = 0.000152826 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) radius 2, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (11.56,11.56,11.56) cylinder, center = (0,0,0) radius 1, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (1,1,1) time for set_epsilon = 0.025064 s ----------- Meep: using output directory '/tmp/meepxrUs6c' creating output file "/tmp/meepxrUs6c/test_ring-eps-000000.00.h5"... F ====================================================================== FAIL: test_harminv (__main__.TestRing.test_harminv) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_ring.py", line 62, in test_harminv self.assertAlmostEqual(m1.amp.real, -0.00304951667301, places=4) AssertionError: -0.0031020183525550154 != -0.00304951667301 within 4 places (5.250167954501525e-05 difference) ---------------------------------------------------------------------- Ran 1 test in 1.185s FAILED (failures=1) harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error harminv0:, 0.11809279297855063, -0.0007453553660444158, 79.21912040780389, 0.0034570184040227086, -0.0031020183525550154-0.0015259286962907485i, 6.147470413837138e-07+0.0i harminv0:, 0.1471719480975986, -0.00021479706222625954, 342.5837080177869, 0.028154264448286656, 0.018768129414637656+0.020986184143370865i, 3.799705979694711e-07+0.0i harminv0:, 0.17525083979308353, -4.9446086493087175e-05, 1772.1406507831973, 0.007182967821382197, -0.000788530544160479-0.00713955504943677i, 7.57711145955344e-07+0.0i run 0 finished at t = 400.0 (8000 timesteps) Elapsed run time = 1.1865 s FAIL tests/test_ring.py (exit status: 1) FAIL: tests/test_special_kz =========================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_special_kz.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_special_kz.py (exit status: 1) ## check whether testsuite runs everywhere #make check; \ #cat python/test-suite.log make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' create-stamp debian/debhelper-build-stamp dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' dh_installchangelogs NEWS.md dh_auto_install make -j1 install DESTDIR=/build/reproducible-path/meep-1.25.0/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' Making install in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make install-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making install in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' make[6]: Nothing to be done for 'install-exec-am'. make[6]: Nothing to be done for 'install-data-am'. make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.30.0.0 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.30.0.0 libmeep.so.30 || { rm -f libmeep.so.30 && ln -s libmeep.so.30.0.0 libmeep.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.30.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.30.0.0 libmeep.so; }; }) libtool: install: /usr/bin/install -c .libs/libmeep.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.la libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include' /usr/bin/install -c -m 644 meep.hpp '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 meep/mympi.hpp meep/vec.hpp meep/meep-config.h meepgeom.hpp material_data.hpp adjust_verbosity.hpp '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' Making install in tests make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[4]: Nothing to be done for 'install-exec-am'. make[4]: Nothing to be done for 'install-data-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' Making install in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/share/meep' /usr/bin/install -c -m 644 meep.scm meep-enums.scm casimir.scm materials.scm '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/share/meep' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making install in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: warning: relinking 'libpympb.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.30.0.0 libpympb.so.30 || { rm -f libpympb.so.30 && ln -s libpympb.so.30.0.0 libpympb.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.30.0.0 libpympb.so || { rm -f libpympb.so && ln -s libpympb.so.30.0.0 libpympb.so; }; }) libtool: install: /usr/bin/install -c .libs/libpympb.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.la libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 pympb.hpp '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' Making install in python make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' libtool: warning: relinking '_meep.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep && { ln -s -f _meep.so.30.0.0 _meep.so.30 || { rm -f _meep.so.30 && ln -s _meep.so.30.0.0 _meep.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep && { ln -s -f _meep.so.30.0.0 _meep.so || { rm -f _meep.so && ln -s _meep.so.30.0.0 _meep.so; }; }) libtool: install: /usr/bin/install -c .libs/_meep.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.la libtool: install: /usr/bin/install -c .libs/_meep.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.12/site-packages/meep' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/adjoint' /usr/bin/install -c -m 644 ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/wrapper.py ./adjoint/utils.py '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/adjoint' Byte-compiling python modules... __init__.pybasis.pyobjective.pyoptimization_problem.pyfilters.pyfilter_source.pyconnectivity.pywrapper.pyutils.py Byte-compiling python modules (optimized versions) ... __init__.pybasis.pyobjective.pyoptimization_problem.pyfilters.pyfilter_source.pyconnectivity.pywrapper.pyutils.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' /usr/bin/install -c -m 644 __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' Byte-compiling python modules... __init__.pybinary_partition_utils.pychunk_balancer.pygeom.pysimulation.pysource.pytiming_measurements.pyvisualization.pymaterials.pyverbosity_mgr.py Byte-compiling python modules (optimized versions) ... __init__.pybinary_partition_utils.pychunk_balancer.pygeom.pysimulation.pysource.pytiming_measurements.pyvisualization.pymaterials.pyverbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.30 -o .libs/_mpb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb && { ln -s -f _mpb.so.30.0.0 _mpb.so.30 || { rm -f _mpb.so.30 && ln -s _mpb.so.30.0.0 _mpb.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb && { ln -s -f _mpb.so.30.0.0 _mpb.so || { rm -f _mpb.so && ln -s _mpb.so.30.0.0 _mpb.so; }; }) libtool: install: /usr/bin/install -c .libs/_mpb.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.la libtool: install: /usr/bin/install -c .libs/_mpb.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.12/site-packages/meep/mpb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' /usr/bin/install -c -m 644 mpb.py solver.py mpb_data.py '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' Byte-compiling python modules... mpb.pysolver.pympb_data.py Byte-compiling python modules (optimized versions) ... mpb.pysolver.pympb_data.py make install-data-hook make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/python' mv /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/mpb.py /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/__init__.py make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.25.0' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0' make[4]: Nothing to be done for 'install-exec-am'. /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig' /usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.25.0' rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.la rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.la rm -f -f debian/tmp/usr/lib/*/libpympb.la rm -f -f debian/tmp/usr/lib/*/libmeep.la rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/adjoint/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/mpb/__pycache__/ make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' dh_install dh_installdocs dh_installchangelogs dh_installman dh_lintian dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dh_strip -a dh_makeshlibs -a dh_shlibdeps -a dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.30.0.0 contains an unresolvable reference to symbol PyUnicode_AsUTF8AndSize: it's probably a plugin dpkg-shlibdeps: warning: 97 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.30.0.0 contains an unresolvable reference to symbol PyFunction_Type: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) dh_installdeb dh_gencontrol dh_md5sums dh_builddeb dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.25.0-4_arm64.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.25.0-4_arm64.deb'. dpkg-deb: building package 'meep' in '../meep_1.25.0-4_arm64.deb'. dpkg-deb: building package 'libmeep30-dbgsym' in '../libmeep30-dbgsym_1.25.0-4_arm64.deb'. dpkg-deb: building package 'libmeep30' in '../libmeep30_1.25.0-4_arm64.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.25.0-4_arm64.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.25.0-4_arm64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.25.0-4_arm64.buildinfo dpkg-genchanges --build=binary -O../meep_1.25.0-4_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/2107519 and its subdirectories I: Current time: Fri Sep 27 20:28:12 -12 2024 I: pbuilder-time-stamp: 1727512092 Sat Sep 28 08:28:12 UTC 2024 I: Signing ./b1/meep_1.25.0-4_arm64.buildinfo as meep_1.25.0-4_arm64.buildinfo.asc Sat Sep 28 08:28:12 UTC 2024 I: Signed ./b1/meep_1.25.0-4_arm64.buildinfo as ./b1/meep_1.25.0-4_arm64.buildinfo.asc Sat Sep 28 08:28:12 UTC 2024 - build #1 for meep/trixie/arm64 on codethink02-arm64 done. Starting cleanup. All cleanup done. Sat Sep 28 08:28:12 UTC 2024 - reproducible_build.sh stopped running as /tmp/jenkins-script-NDvWzKjC, removing. /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH: total 16 drwxr-xr-x 2 jenkins jenkins 4096 Sep 28 08:28 b1 drwxr-xr-x 2 jenkins jenkins 4096 Sep 28 07:55 b2 -rw-r--r-- 1 jenkins jenkins 2471 Jul 28 11:43 meep_1.25.0-4.dsc -rw------- 1 jenkins jenkins 3560 Sep 28 07:55 rbuildlog.sau5Xyt /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b1: total 16992 -rw-r--r-- 1 jenkins jenkins 5274536 Sep 28 08:28 build.log -rw-r--r-- 1 jenkins jenkins 465316 Sep 28 08:28 libmeep-dev_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 3337708 Sep 28 08:28 libmeep30-dbgsym_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 447748 Sep 28 08:28 libmeep30_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 1887316 Sep 28 08:28 meep-dbgsym_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 143720 Sep 28 08:28 meep_1.25.0-4.debian.tar.xz -rw-r--r-- 1 jenkins jenkins 2471 Sep 28 08:28 meep_1.25.0-4.dsc -rw-r--r-- 1 jenkins jenkins 13934 Sep 28 08:28 meep_1.25.0-4_arm64.buildinfo -rw-r--r-- 1 jenkins jenkins 14816 Sep 28 08:28 meep_1.25.0-4_arm64.buildinfo.asc -rw-r--r-- 1 jenkins jenkins 2988 Sep 28 08:28 meep_1.25.0-4_arm64.changes -rw-r--r-- 1 jenkins jenkins 272960 Sep 28 08:28 meep_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 1242 Sep 28 08:28 meep_1.25.0-4_source.changes -rw-r--r-- 1 jenkins jenkins 4720528 Sep 28 08:28 python3-meep-dbgsym_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 788124 Sep 28 08:28 python3-meep_1.25.0-4_arm64.deb /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b2: total 0 Sat Sep 28 08:28:13 UTC 2024 I: Deleting $TMPDIR on codethink02-arm64.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Fri Sep 27 19:55:58 -12 2024 I: pbuilder-time-stamp: 1727510158 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [meep_1.25.0-4.dsc] I: copying [./meep_1.25.0.orig.tar.gz] I: copying [./meep_1.25.0-4.debian.tar.xz] I: Extracting source gpgv: Signature made Sun Jul 28 11:33:37 2024 gpgv: using RSA key 6201FBFFDBBDE07822EABB9696FCAC0D387B5847 gpgv: issuer "debian@alteholz.de" gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./meep_1.25.0-4.dsc: no acceptable signature found dpkg-source: info: extracting meep in meep-1.25.0 dpkg-source: info: unpacking meep_1.25.0.orig.tar.gz dpkg-source: info: unpacking meep_1.25.0-4.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying python-distutils.patch dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/2107519/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='arm64' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' DISTRIBUTION='trixie' HOME='/root' HOST_ARCH='arm64' IFS=' ' INVOCATION_ID='de1cd10e2c4945d89e5243194fd0addd' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='2107519' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/pbuilderrc_FNIO --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b1 --logfile b1/build.log meep_1.25.0-4.dsc' SUDO_GID='109' SUDO_UID='104' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://192.168.101.4:3128' I: uname -a Linux codethink02-arm64 6.1.0-25-cloud-arm64 #1 SMP Debian 6.1.106-3 (2024-08-26) aarch64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin I: user script /srv/workspace/pbuilder/2107519/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: arm64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19900 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on quilt; however: Package quilt is not installed. pbuilder-satisfydepends-dummy depends on libctl-dev (>= 4.5.0-8); however: Package libctl-dev is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on libharminv-dev (>= 1.4.1); however: Package libharminv-dev is not installed. pbuilder-satisfydepends-dummy depends on zlib1g-dev; however: Package zlib1g-dev is not installed. pbuilder-satisfydepends-dummy depends on libfftw3-dev; however: Package libfftw3-dev is not installed. pbuilder-satisfydepends-dummy depends on libgsl-dev; however: Package libgsl-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on chrpath; however: Package chrpath is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libhdf5-dev; however: Package libhdf5-dev is not installed. pbuilder-satisfydepends-dummy depends on swig; however: Package swig is not installed. pbuilder-satisfydepends-dummy depends on mpb-dev (>= 1.11.1-2); however: Package mpb-dev is not installed. pbuilder-satisfydepends-dummy depends on mpb; however: Package mpb is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy; however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-h5py; however: Package python3-h5py is not installed. pbuilder-satisfydepends-dummy depends on python3-scipy; however: Package python3-scipy is not installed. pbuilder-satisfydepends-dummy depends on python3-matplotlib; however: Package python3-matplotlib is not installed. pbuilder-satisfydepends-dummy depends on python3-setuptools; however: Package python3-setuptools is not installed. pbuilder-satisfydepends-dummy depends on libgdsii-dev; however: Package libgdsii-dev is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} blt{a} bsdextrautils{a} chrpath{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} diffstat{a} dwz{a} ed{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lyx{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-aarch64-linux-gnu{a} gfortran-aarch64-linux-gnu{a} groff-base{a} guile-3.0{a} guile-3.0-dev{a} guile-3.0-libs{a} hdf5-helpers{a} ibverbs-providers{a} intltool-debian{a} libaec-dev{a} libaec0{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli-dev{a} libbrotli1{a} libcom-err2{a} libctl-dev{a} libctl7t64{a} libcurl4-openssl-dev{a} libcurl4t64{a} libdebhelper-perl{a} libdeflate0{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-single3{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libfribidi0{a} libgc-dev{a} libgc1{a} libgdsii-dev{a} libgdsii0{a} libgfortran-14-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgmp-dev{a} libgmpxx4ldbl{a} libgnutls-dane0t64{a} libgnutls-openssl27t64{a} libgnutls28-dev{a} libgraphite2-3{a} libgsl-dev{a} libgsl28{a} libgslcblas0{a} libgssapi-krb5-2{a} libharfbuzz0b{a} libharminv-dev{a} libharminv3{a} libhdf5-103-1t64{a} libhdf5-cpp-103-1t64{a} libhdf5-dev{a} libhdf5-fortran-102t64{a} libhdf5-hl-100t64{a} libhdf5-hl-cpp-100t64{a} libhdf5-hl-fortran-100t64{a} libhdf5-openmpi-103-1t64{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs1{a} libicu72{a} libidn2-dev{a} libimagequant0{a} libjbig0{a} libjpeg-dev{a} libjpeg62-turbo{a} libjpeg62-turbo-dev{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} liblbfgsb0{a} liblcms2-2{a} libldap-2.5-0{a} liblerc4{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} liblzf1{a} libmagic-mgc{a} libmagic1t64{a} libmunge2{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libnghttp2-dev{a} libnl-3-200{a} libnl-route-3-200{a} libnsl2{a} libnuma1{a} libopenjp2-7{a} libopenmpi3t64{a} libp11-kit-dev{a} libpciaccess0{a} libpipeline1{a} libpkgconf3{a} libpmix2t64{a} libpng16-16t64{a} libpsl-dev{a} libpsl5t64{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.12-dev{a} libpython3.12-minimal{a} libpython3.12-stdlib{a} libpython3.12t64{a} libqhull-r8.0{a} libraqm0{a} librdmacm1t64{a} libreadline-dev{a} libreadline8t64{a} librtmp-dev{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsharpyuv0{a} libssh2-1-dev{a} libssh2-1t64{a} libssl-dev{a} libsz2{a} libtasn1-6-dev{a} libtcl8.6{a} libtiff6{a} libtirpc-common{a} libtirpc3t64{a} libtk8.6{a} libtool{a} libuchardet0{a} libucx0{a} libunbound8{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxft2{a} libxml2{a} libxnvctrl0{a} libxrender1{a} libxslt1.1{a} libxss1{a} libz3-4{a} libzstd-dev{a} m4{a} man-db{a} media-types{a} mpb{a} mpb-dev{a} mpb-scm{a} netbase{a} nettle-dev{a} ocl-icd-libopencl1{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python-matplotlib-data{a} python3{a} python3-appdirs{a} python3-attr{a} python3-autocommand{a} python3-brotli{a} python3-contourpy{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-dev{a} python3-fonttools{a} python3-fs{a} python3-h5py{a} python3-h5py-serial{a} python3-inflect{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-kiwisolver{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-minimal{a} python3-more-itertools{a} python3-mpmath{a} python3-numpy{a} python3-packaging{a} python3-pil{a} python3-pil.imagetk{a} python3-pkg-resources{a} python3-pyparsing{a} python3-scipy{a} python3-setuptools{a} python3-six{a} python3-sympy{a} python3-tk{a} python3-typeguard{a} python3-typing-extensions{a} python3-tz{a} python3-ufolib2{a} python3-unicodedata2{a} python3-zipp{a} python3.12{a} python3.12-dev{a} python3.12-minimal{a} python3.12-tk{a} python3.13-tk{a} quilt{a} readline-common{a} sensible-utils{a} swig{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} x11-common{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl h5utils isympy-common javascript-common krb5-locales less libarchive-cpio-perl libctl-doc libglib2.0-data libgpm2 libldap-common libmail-sendmail-perl libsasl2-modules libtasn1-doc lynx publicsuffix python3-bs4 python3-cssselect python3-html5lib python3-olefile shared-mime-info wget xdg-user-dirs 0 packages upgraded, 263 newly installed, 0 to remove and 0 not upgraded. Need to get 197 MB of archives. After unpacking 899 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian trixie/main arm64 libpython3.12-minimal arm64 3.12.6-1 [806 kB] Get: 2 http://deb.debian.org/debian trixie/main arm64 libexpat1 arm64 2.6.3-1 [90.2 kB] Get: 3 http://deb.debian.org/debian trixie/main arm64 python3.12-minimal arm64 3.12.6-1 [1935 kB] Get: 4 http://deb.debian.org/debian trixie/main arm64 python3-minimal arm64 3.12.5-1+b1 [26.9 kB] Get: 5 http://deb.debian.org/debian trixie/main arm64 media-types all 10.1.0 [26.9 kB] Get: 6 http://deb.debian.org/debian trixie/main arm64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian trixie/main arm64 tzdata all 2024a-4 [255 kB] Get: 8 http://deb.debian.org/debian trixie/main arm64 libkrb5support0 arm64 1.21.3-3 [32.1 kB] Get: 9 http://deb.debian.org/debian trixie/main arm64 libcom-err2 arm64 1.47.1-1 [22.8 kB] Get: 10 http://deb.debian.org/debian trixie/main arm64 libk5crypto3 arm64 1.21.3-3 [80.8 kB] Get: 11 http://deb.debian.org/debian trixie/main arm64 libkeyutils1 arm64 1.6.3-3 [9112 B] Get: 12 http://deb.debian.org/debian trixie/main arm64 libkrb5-3 arm64 1.21.3-3 [310 kB] Get: 13 http://deb.debian.org/debian trixie/main arm64 libgssapi-krb5-2 arm64 1.21.3-3 [126 kB] Get: 14 http://deb.debian.org/debian trixie/main arm64 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get: 15 http://deb.debian.org/debian trixie/main arm64 libtirpc3t64 arm64 1.3.4+ds-1.3 [78.4 kB] Get: 16 http://deb.debian.org/debian trixie/main arm64 libnsl2 arm64 1.3.0-3+b2 [37.7 kB] Get: 17 http://deb.debian.org/debian trixie/main arm64 readline-common all 8.2-5 [69.3 kB] Get: 18 http://deb.debian.org/debian trixie/main arm64 libreadline8t64 arm64 8.2-5 [159 kB] Get: 19 http://deb.debian.org/debian trixie/main arm64 libpython3.12-stdlib arm64 3.12.6-1 [1898 kB] Get: 20 http://deb.debian.org/debian trixie/main arm64 python3.12 arm64 3.12.6-1 [669 kB] Get: 21 http://deb.debian.org/debian trixie/main arm64 libpython3-stdlib arm64 3.12.5-1+b1 [9872 B] Get: 22 http://deb.debian.org/debian trixie/main arm64 python3 arm64 3.12.5-1+b1 [27.9 kB] Get: 23 http://deb.debian.org/debian trixie/main arm64 sensible-utils all 0.0.24 [24.8 kB] Get: 24 http://deb.debian.org/debian trixie/main arm64 libmagic-mgc arm64 1:5.45-3 [314 kB] Get: 25 http://deb.debian.org/debian trixie/main arm64 libmagic1t64 arm64 1:5.45-3 [100 kB] Get: 26 http://deb.debian.org/debian trixie/main arm64 file arm64 1:5.45-3 [43.0 kB] Get: 27 http://deb.debian.org/debian trixie/main arm64 gettext-base arm64 0.22.5-2 [198 kB] Get: 28 http://deb.debian.org/debian trixie/main arm64 libuchardet0 arm64 0.0.8-1+b1 [69.0 kB] Get: 29 http://deb.debian.org/debian trixie/main arm64 groff-base arm64 1.23.0-5 [1129 kB] Get: 30 http://deb.debian.org/debian trixie/main arm64 bsdextrautils arm64 2.40.2-8 [96.6 kB] Get: 31 http://deb.debian.org/debian trixie/main arm64 libpipeline1 arm64 1.5.8-1 [40.2 kB] Get: 32 http://deb.debian.org/debian trixie/main arm64 man-db arm64 2.13.0-1 [1404 kB] Get: 33 http://deb.debian.org/debian trixie/main arm64 m4 arm64 1.4.19-4 [277 kB] Get: 34 http://deb.debian.org/debian trixie/main arm64 autoconf all 2.72-3 [493 kB] Get: 35 http://deb.debian.org/debian trixie/main arm64 autotools-dev all 20220109.1 [51.6 kB] Get: 36 http://deb.debian.org/debian trixie/main arm64 automake all 1:1.16.5-1.3 [823 kB] Get: 37 http://deb.debian.org/debian trixie/main arm64 autopoint all 0.22.5-2 [723 kB] Get: 38 http://deb.debian.org/debian trixie/main arm64 libtcl8.6 arm64 8.6.14+dfsg-1 [975 kB] Get: 39 http://deb.debian.org/debian trixie/main arm64 libbrotli1 arm64 1.1.0-2+b4 [292 kB] Get: 40 http://deb.debian.org/debian trixie/main arm64 libpng16-16t64 arm64 1.6.44-1 [272 kB] Get: 41 http://deb.debian.org/debian trixie/main arm64 libfreetype6 arm64 2.13.3+dfsg-1 [422 kB] Get: 42 http://deb.debian.org/debian trixie/main arm64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 43 http://deb.debian.org/debian trixie/main arm64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 44 http://deb.debian.org/debian trixie/main arm64 fontconfig-config arm64 2.15.0-1.1 [317 kB] Get: 45 http://deb.debian.org/debian trixie/main arm64 libfontconfig1 arm64 2.15.0-1.1 [385 kB] Get: 46 http://deb.debian.org/debian trixie/main arm64 libxau6 arm64 1:1.0.9-1+b1 [18.1 kB] Get: 47 http://deb.debian.org/debian trixie/main arm64 libxdmcp6 arm64 1:1.1.2-3+b1 [24.3 kB] Get: 48 http://deb.debian.org/debian trixie/main arm64 libxcb1 arm64 1.17.0-2 [143 kB] Get: 49 http://deb.debian.org/debian trixie/main arm64 libx11-data all 2:1.8.7-1 [328 kB] Get: 50 http://deb.debian.org/debian trixie/main arm64 libx11-6 arm64 2:1.8.7-1+b1 [775 kB] Get: 51 http://deb.debian.org/debian trixie/main arm64 libxrender1 arm64 1:0.9.10-1.1+b1 [27.0 kB] Get: 52 http://deb.debian.org/debian trixie/main arm64 libxft2 arm64 2.3.6-1+b1 [51.0 kB] Get: 53 http://deb.debian.org/debian trixie/main arm64 libxext6 arm64 2:1.3.4-1+b1 [51.7 kB] Get: 54 http://deb.debian.org/debian trixie/main arm64 x11-common all 1:7.7+23.1 [216 kB] Get: 55 http://deb.debian.org/debian trixie/main arm64 libxss1 arm64 1:1.2.3-1+b1 [17.0 kB] Get: 56 http://deb.debian.org/debian trixie/main arm64 libtk8.6 arm64 8.6.15-1 [738 kB] Get: 57 http://deb.debian.org/debian trixie/main arm64 tk8.6-blt2.5 arm64 2.5.3+dfsg-7 [533 kB] Get: 58 http://deb.debian.org/debian trixie/main arm64 blt arm64 2.5.3+dfsg-7 [6024 B] Get: 59 http://deb.debian.org/debian trixie/main arm64 chrpath arm64 0.16-2+b1 [16.0 kB] Get: 60 http://deb.debian.org/debian trixie/main arm64 libdebhelper-perl all 13.20 [89.7 kB] Get: 61 http://deb.debian.org/debian trixie/main arm64 libtool all 2.4.7-7 [517 kB] Get: 62 http://deb.debian.org/debian trixie/main arm64 dh-autoreconf all 20 [17.1 kB] Get: 63 http://deb.debian.org/debian trixie/main arm64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 64 http://deb.debian.org/debian trixie/main arm64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 65 http://deb.debian.org/debian trixie/main arm64 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 66 http://deb.debian.org/debian trixie/main arm64 libelf1t64 arm64 0.191-2 [188 kB] Get: 67 http://deb.debian.org/debian trixie/main arm64 dwz arm64 0.15-1+b1 [102 kB] Get: 68 http://deb.debian.org/debian trixie/main arm64 libicu72 arm64 72.1-5 [9224 kB] Get: 69 http://deb.debian.org/debian trixie/main arm64 libxml2 arm64 2.12.7+dfsg+really2.9.14-0.1 [630 kB] Get: 70 http://deb.debian.org/debian trixie/main arm64 gettext arm64 0.22.5-2 [1532 kB] Get: 71 http://deb.debian.org/debian trixie/main arm64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 72 http://deb.debian.org/debian trixie/main arm64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 73 http://deb.debian.org/debian trixie/main arm64 debhelper all 13.20 [915 kB] Get: 74 http://deb.debian.org/debian trixie/main arm64 diffstat arm64 1.66-1 [31.6 kB] Get: 75 http://deb.debian.org/debian trixie/main arm64 ed arm64 1.20.2-2 [59.4 kB] Get: 76 http://deb.debian.org/debian trixie/main arm64 fonts-lyx all 2.4.1-2 [189 kB] Get: 77 http://deb.debian.org/debian trixie/main arm64 libgfortran5 arm64 14.2.0-3 [362 kB] Get: 78 http://deb.debian.org/debian trixie/main arm64 libgfortran-14-dev arm64 14.2.0-3 [418 kB] Get: 79 http://deb.debian.org/debian trixie/main arm64 gfortran-14-aarch64-linux-gnu arm64 14.2.0-3 [9793 kB] Get: 80 http://deb.debian.org/debian trixie/main arm64 gfortran-14 arm64 14.2.0-3 [11.8 kB] Get: 81 http://deb.debian.org/debian trixie/main arm64 gfortran-aarch64-linux-gnu arm64 4:14.1.0-2 [1288 B] Get: 82 http://deb.debian.org/debian trixie/main arm64 gfortran arm64 4:14.1.0-2 [1436 B] Get: 83 http://deb.debian.org/debian trixie/main arm64 libgc1 arm64 1:8.2.8-1 [241 kB] Get: 84 http://deb.debian.org/debian trixie/main arm64 guile-3.0-libs arm64 3.0.10+really3.0.9-1 [6596 kB] Get: 85 http://deb.debian.org/debian trixie/main arm64 guile-3.0 arm64 3.0.10+really3.0.9-1 [21.1 kB] Get: 86 http://deb.debian.org/debian trixie/main arm64 libncurses6 arm64 6.5-2 [95.7 kB] Get: 87 http://deb.debian.org/debian trixie/main arm64 libncurses-dev arm64 6.5-2 [337 kB] Get: 88 http://deb.debian.org/debian trixie/main arm64 libreadline-dev arm64 8.2-5 [155 kB] Get: 89 http://deb.debian.org/debian trixie/main arm64 libltdl7 arm64 2.4.7-7+b1 [393 kB] Get: 90 http://deb.debian.org/debian trixie/main arm64 libltdl-dev arm64 2.4.7-7+b1 [165 kB] Get: 91 http://deb.debian.org/debian trixie/main arm64 libgmpxx4ldbl arm64 2:6.3.0+dfsg-2+b1 [329 kB] Get: 92 http://deb.debian.org/debian trixie/main arm64 libgmp-dev arm64 2:6.3.0+dfsg-2+b1 [619 kB] Get: 93 http://deb.debian.org/debian trixie/main arm64 libgc-dev arm64 1:8.2.8-1 [415 kB] Get: 94 http://deb.debian.org/debian trixie/main arm64 libpkgconf3 arm64 1.8.1-3 [35.3 kB] Get: 95 http://deb.debian.org/debian trixie/main arm64 pkgconf-bin arm64 1.8.1-3 [29.4 kB] Get: 96 http://deb.debian.org/debian trixie/main arm64 pkgconf arm64 1.8.1-3 [26.0 kB] Get: 97 http://deb.debian.org/debian trixie/main arm64 guile-3.0-dev arm64 3.0.10+really3.0.9-1 [150 kB] Get: 98 http://deb.debian.org/debian trixie/main arm64 hdf5-helpers arm64 1.10.10+repack-4 [23.5 kB] Get: 99 http://deb.debian.org/debian trixie/main arm64 libnl-3-200 arm64 3.7.0-0.3 [56.5 kB] Get: 100 http://deb.debian.org/debian trixie/main arm64 libnl-route-3-200 arm64 3.7.0-0.3 [165 kB] Get: 101 http://deb.debian.org/debian trixie/main arm64 libibverbs1 arm64 52.0-2 [58.2 kB] Get: 102 http://deb.debian.org/debian trixie/main arm64 ibverbs-providers arm64 52.0-2 [316 kB] Get: 103 http://deb.debian.org/debian trixie/main arm64 libaec0 arm64 1.1.3-1 [22.1 kB] Get: 104 http://deb.debian.org/debian trixie/main arm64 libsz2 arm64 1.1.3-1 [7664 B] Get: 105 http://deb.debian.org/debian trixie/main arm64 libaec-dev arm64 1.1.3-1 [19.7 kB] Get: 106 http://deb.debian.org/debian trixie/main arm64 libedit2 arm64 3.1-20240808-1 [89.2 kB] Get: 107 http://deb.debian.org/debian trixie/main arm64 libz3-4 arm64 4.8.12-3.1+b2 [6508 kB] Get: 108 http://deb.debian.org/debian trixie/main arm64 libllvm17t64 arm64 1:17.0.6-18 [21.3 MB] Get: 109 http://deb.debian.org/debian trixie/main arm64 libamd-comgr2 arm64 6.0+git20231212.4510c28+dfsg-3+b1 [12.1 MB] Get: 110 http://deb.debian.org/debian trixie/main arm64 libdrm-common all 2.4.123-1 [8084 B] Get: 111 http://deb.debian.org/debian trixie/main arm64 libdrm2 arm64 2.4.123-1 [38.0 kB] Get: 112 http://deb.debian.org/debian trixie/main arm64 libdrm-amdgpu1 arm64 2.4.123-1 [21.6 kB] Get: 113 http://deb.debian.org/debian trixie/main arm64 libnuma1 arm64 2.0.18-1 [21.4 kB] Get: 114 http://deb.debian.org/debian trixie/main arm64 libhsakmt1 arm64 5.7.0-1 [57.6 kB] Get: 115 http://deb.debian.org/debian trixie/main arm64 libhsa-runtime64-1 arm64 5.7.1-3 [278 kB] Get: 116 http://deb.debian.org/debian trixie/main arm64 libamdhip64-5 arm64 5.7.1-3 [8698 kB] Get: 117 http://deb.debian.org/debian trixie/main arm64 libblas3 arm64 3.12.0-3 [91.7 kB] Get: 118 http://deb.debian.org/debian trixie/main arm64 libblas-dev arm64 3.12.0-3 [98.2 kB] Get: 119 http://deb.debian.org/debian trixie/main arm64 libbrotli-dev arm64 1.1.0-2+b4 [308 kB] Get: 120 http://deb.debian.org/debian trixie/main arm64 libctl7t64 arm64 4.5.1-3 [104 kB] Get: 121 http://deb.debian.org/debian trixie/main arm64 libctl-dev arm64 4.5.1-3 [101 kB] Get: 122 http://deb.debian.org/debian trixie/main arm64 libsasl2-modules-db arm64 2.1.28+dfsg1-8 [20.0 kB] Get: 123 http://deb.debian.org/debian trixie/main arm64 libsasl2-2 arm64 2.1.28+dfsg1-8 [55.4 kB] Get: 124 http://deb.debian.org/debian trixie/main arm64 libldap-2.5-0 arm64 2.5.18+dfsg-3 [174 kB] Get: 125 http://deb.debian.org/debian trixie/main arm64 libnghttp2-14 arm64 1.63.0-1 [71.2 kB] Get: 126 http://deb.debian.org/debian trixie/main arm64 libpsl5t64 arm64 0.21.2-1.1 [56.8 kB] Get: 127 http://deb.debian.org/debian trixie/main arm64 librtmp1 arm64 2.4+20151223.gitfa8646d.1-2+b4 [56.7 kB] Get: 128 http://deb.debian.org/debian trixie/main arm64 libssh2-1t64 arm64 1.11.0-7 [208 kB] Get: 129 http://deb.debian.org/debian trixie/main arm64 libcurl4t64 arm64 8.10.1-1 [322 kB] Get: 130 http://deb.debian.org/debian trixie/main arm64 libidn2-dev arm64 2.3.7-2 [122 kB] Get: 131 http://deb.debian.org/debian trixie/main arm64 libnghttp2-dev arm64 1.63.0-1 [112 kB] Get: 132 http://deb.debian.org/debian trixie/main arm64 libpsl-dev arm64 0.21.2-1.1 [77.7 kB] Get: 133 http://deb.debian.org/debian trixie/main arm64 libevent-2.1-7t64 arm64 2.1.12-stable-10 [169 kB] Get: 134 http://deb.debian.org/debian trixie/main arm64 libunbound8 arm64 1.20.0-1+b1 [542 kB] Get: 135 http://deb.debian.org/debian trixie/main arm64 libgnutls-dane0t64 arm64 3.8.6-2 [436 kB] Get: 136 http://deb.debian.org/debian trixie/main arm64 libgnutls-openssl27t64 arm64 3.8.6-2 [436 kB] Get: 137 http://deb.debian.org/debian trixie/main arm64 libp11-kit-dev arm64 0.25.5-2 [208 kB] Get: 138 http://deb.debian.org/debian trixie/main arm64 libtasn1-6-dev arm64 4.19.0-3+b2 [96.2 kB] Get: 139 http://deb.debian.org/debian trixie/main arm64 nettle-dev arm64 3.10-1 [1323 kB] Get: 140 http://deb.debian.org/debian trixie/main arm64 libgnutls28-dev arm64 3.8.6-2 [1394 kB] Get: 141 http://deb.debian.org/debian trixie/main arm64 zlib1g-dev arm64 1:1.3.dfsg+really1.3.1-1 [916 kB] Get: 142 http://deb.debian.org/debian trixie/main arm64 librtmp-dev arm64 2.4+20151223.gitfa8646d.1-2+b4 [67.3 kB] Get: 143 http://deb.debian.org/debian trixie/main arm64 libssl-dev arm64 3.3.2-1 [3185 kB] Get: 144 http://deb.debian.org/debian trixie/main arm64 libssh2-1-dev arm64 1.11.0-7 [353 kB] Get: 145 http://deb.debian.org/debian trixie/main arm64 libzstd-dev arm64 1.5.6+dfsg-1 [330 kB] Get: 146 http://deb.debian.org/debian trixie/main arm64 libcurl4-openssl-dev arm64 8.10.1-1 [447 kB] Get: 147 http://deb.debian.org/debian trixie/main arm64 libdeflate0 arm64 1.21-1 [42.2 kB] Get: 148 http://deb.debian.org/debian trixie/main arm64 libevent-core-2.1-7t64 arm64 2.1.12-stable-10 [125 kB] Get: 149 http://deb.debian.org/debian trixie/main arm64 libevent-pthreads-2.1-7t64 arm64 2.1.12-stable-10 [54.1 kB] Get: 150 http://deb.debian.org/debian trixie/main arm64 libexpat1-dev arm64 2.6.3-1 [142 kB] Get: 151 http://deb.debian.org/debian trixie/main arm64 librdmacm1t64 arm64 52.0-2 [66.5 kB] Get: 152 http://deb.debian.org/debian trixie/main arm64 libfabric1 arm64 1.17.0-3+b1 [479 kB] Get: 153 http://deb.debian.org/debian trixie/main arm64 libfftw3-double3 arm64 3.3.10-1+b3 [329 kB] Get: 154 http://deb.debian.org/debian trixie/main arm64 libfftw3-long3 arm64 3.3.10-1+b3 [533 kB] Get: 155 http://deb.debian.org/debian trixie/main arm64 libfftw3-single3 arm64 3.3.10-1+b3 [497 kB] Get: 156 http://deb.debian.org/debian trixie/main arm64 libfftw3-bin arm64 3.3.10-1+b3 [43.3 kB] Get: 157 http://deb.debian.org/debian trixie/main arm64 libfftw3-dev arm64 3.3.10-1+b3 [1214 kB] Get: 158 http://deb.debian.org/debian trixie/main arm64 libfribidi0 arm64 1.0.15-1 [71.8 kB] Get: 159 http://deb.debian.org/debian trixie/main arm64 libgdsii0 arm64 0.2+ds.1-1+b1 [29.3 kB] Get: 160 http://deb.debian.org/debian trixie/main arm64 libgdsii-dev arm64 0.2+ds.1-1+b1 [34.3 kB] Get: 161 http://deb.debian.org/debian trixie/main arm64 libglib2.0-0t64 arm64 2.82.1-1 [1410 kB] Get: 162 http://deb.debian.org/debian trixie/main arm64 libgraphite2-3 arm64 1.3.14-2 [69.2 kB] Get: 163 http://deb.debian.org/debian trixie/main arm64 libgslcblas0 arm64 2.8+dfsg-3 [84.0 kB] Get: 164 http://deb.debian.org/debian trixie/main arm64 libgsl28 arm64 2.8+dfsg-3 [880 kB] Get: 165 http://deb.debian.org/debian trixie/main arm64 libgsl-dev arm64 2.8+dfsg-3 [1119 kB] Get: 166 http://deb.debian.org/debian trixie/main arm64 libharfbuzz0b arm64 9.0.0-1 [441 kB] Get: 167 http://deb.debian.org/debian trixie/main arm64 liblapack3 arm64 3.12.0-3 [1757 kB] Get: 168 http://deb.debian.org/debian trixie/main arm64 libharminv3 arm64 1.4.2-1 [23.9 kB] Get: 169 http://deb.debian.org/debian trixie/main arm64 libharminv-dev arm64 1.4.2-1 [14.7 kB] Get: 170 http://deb.debian.org/debian trixie/main arm64 libhdf5-103-1t64 arm64 1.10.10+repack-4 [1050 kB] Get: 171 http://deb.debian.org/debian trixie/main arm64 libhdf5-cpp-103-1t64 arm64 1.10.10+repack-4 [118 kB] Get: 172 http://deb.debian.org/debian trixie/main arm64 libhdf5-fortran-102t64 arm64 1.10.10+repack-4 [88.1 kB] Get: 173 http://deb.debian.org/debian trixie/main arm64 libhdf5-hl-100t64 arm64 1.10.10+repack-4 [60.9 kB] Get: 174 http://deb.debian.org/debian trixie/main arm64 libhdf5-hl-fortran-100t64 arm64 1.10.10+repack-4 [39.0 kB] Get: 175 http://deb.debian.org/debian trixie/main arm64 libhdf5-hl-cpp-100t64 arm64 1.10.10+repack-4 [21.4 kB] Get: 176 http://deb.debian.org/debian trixie/main arm64 libjpeg62-turbo arm64 1:2.1.5-3 [172 kB] Get: 177 http://deb.debian.org/debian trixie/main arm64 libjpeg62-turbo-dev arm64 1:2.1.5-3 [292 kB] Get: 178 http://deb.debian.org/debian trixie/main arm64 libjpeg-dev arm64 1:2.1.5-3 [71.9 kB] Get: 179 http://deb.debian.org/debian trixie/main arm64 libhdf5-dev arm64 1.10.10+repack-4 [2697 kB] Get: 180 http://deb.debian.org/debian trixie/main arm64 libhwloc15 arm64 2.11.0-2 [140 kB] Get: 181 http://deb.debian.org/debian trixie/main arm64 libmunge2 arm64 0.5.15-4 [19.2 kB] Get: 182 http://deb.debian.org/debian trixie/main arm64 libpciaccess0 arm64 0.17-3+b1 [51.1 kB] Get: 183 http://deb.debian.org/debian trixie/main arm64 libxnvctrl0 arm64 535.171.04-1 [13.8 kB] Get: 184 http://deb.debian.org/debian trixie/main arm64 ocl-icd-libopencl1 arm64 2.3.2-1+b1 [39.3 kB] Get: 185 http://deb.debian.org/debian trixie/main arm64 libhwloc-plugins arm64 2.11.0-2 [17.8 kB] Get: 186 http://deb.debian.org/debian trixie/main arm64 libpmix2t64 arm64 5.0.3-2 [581 kB] Get: 187 http://deb.debian.org/debian trixie/main arm64 libibumad3 arm64 52.0-2 [26.9 kB] Get: 188 http://deb.debian.org/debian trixie/main arm64 libibmad5 arm64 52.0-2 [41.3 kB] Get: 189 http://deb.debian.org/debian trixie/main arm64 libucx0 arm64 1.17.0+ds-3 [959 kB] Get: 190 http://deb.debian.org/debian trixie/main arm64 libopenmpi3t64 arm64 4.1.6-13.3 [2170 kB] Get: 191 http://deb.debian.org/debian trixie/main arm64 libhdf5-openmpi-103-1t64 arm64 1.10.10+repack-4 [1095 kB] Get: 192 http://deb.debian.org/debian trixie/main arm64 libimagequant0 arm64 2.18.0-1+b1 [34.6 kB] Get: 193 http://deb.debian.org/debian trixie/main arm64 libjbig0 arm64 2.1-6.1+b1 [30.4 kB] Get: 194 http://deb.debian.org/debian trixie/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 195 http://deb.debian.org/debian trixie/main arm64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 196 http://deb.debian.org/debian trixie/main arm64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 197 http://deb.debian.org/debian trixie/main arm64 libjs-sphinxdoc all 7.4.7-3 [158 kB] Get: 198 http://deb.debian.org/debian trixie/main arm64 liblapack-dev arm64 3.12.0-3 [3584 kB] Get: 199 http://deb.debian.org/debian trixie/main arm64 liblbfgsb0 arm64 3.0+dfsg.4-1+b1 [25.0 kB] Get: 200 http://deb.debian.org/debian trixie/main arm64 liblcms2-2 arm64 2.14-2+b1 [144 kB] Get: 201 http://deb.debian.org/debian trixie/main arm64 liblerc4 arm64 4.0.0+ds-4+b1 [142 kB] Get: 202 http://deb.debian.org/debian trixie/main arm64 liblzf1 arm64 3.6-4+b1 [10.3 kB] Get: 203 http://deb.debian.org/debian trixie/main arm64 libopenjp2-7 arm64 2.5.0-2+b3 [177 kB] Get: 204 http://deb.debian.org/debian trixie/main arm64 libpython3.12t64 arm64 3.12.6-1 [1981 kB] Get: 205 http://deb.debian.org/debian trixie/main arm64 libpython3.12-dev arm64 3.12.6-1 [4782 kB] Get: 206 http://deb.debian.org/debian trixie/main arm64 libpython3-dev arm64 3.12.5-1+b1 [10.1 kB] Get: 207 http://deb.debian.org/debian trixie/main arm64 libqhull-r8.0 arm64 2020.2-6+b1 [226 kB] Get: 208 http://deb.debian.org/debian trixie/main arm64 libraqm0 arm64 0.10.1-1+b1 [13.7 kB] Get: 209 http://deb.debian.org/debian trixie/main arm64 libsharpyuv0 arm64 1.4.0-0.1 [111 kB] Get: 210 http://deb.debian.org/debian trixie/main arm64 libwebp7 arm64 1.4.0-0.1 [267 kB] Get: 211 http://deb.debian.org/debian trixie/main arm64 libtiff6 arm64 4.5.1+git230720-5 [309 kB] Get: 212 http://deb.debian.org/debian trixie/main arm64 libwebpdemux2 arm64 1.4.0-0.1 [110 kB] Get: 213 http://deb.debian.org/debian trixie/main arm64 libwebpmux3 arm64 1.4.0-0.1 [122 kB] Get: 214 http://deb.debian.org/debian trixie/main arm64 libxslt1.1 arm64 1.1.35-1.1 [221 kB] Get: 215 http://deb.debian.org/debian trixie/main arm64 mpb-scm all 1.11.1-6 [12.0 kB] Get: 216 http://deb.debian.org/debian trixie/main arm64 mpb arm64 1.11.1-6 [191 kB] Get: 217 http://deb.debian.org/debian trixie/main arm64 mpb-dev arm64 1.11.1-6 [8152 B] Get: 218 http://deb.debian.org/debian trixie/main arm64 python-matplotlib-data all 3.8.3-3 [2731 kB] Get: 219 http://deb.debian.org/debian trixie/main arm64 python3-appdirs all 1.4.4-4 [12.5 kB] Get: 220 http://deb.debian.org/debian trixie/main arm64 python3-attr all 23.2.0-2 [65.5 kB] Get: 221 http://deb.debian.org/debian trixie/main arm64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 222 http://deb.debian.org/debian trixie/main arm64 python3-brotli arm64 1.1.0-2+b4 [301 kB] Get: 223 http://deb.debian.org/debian trixie/main arm64 python3-more-itertools all 10.4.0-1 [63.7 kB] Get: 224 http://deb.debian.org/debian trixie/main arm64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 225 http://deb.debian.org/debian trixie/main arm64 python3-typeguard all 4.3.0-1 [36.5 kB] Get: 226 http://deb.debian.org/debian trixie/main arm64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 227 http://deb.debian.org/debian trixie/main arm64 python3-jaraco.context all 6.0.0-1 [7984 B] Get: 228 http://deb.debian.org/debian trixie/main arm64 python3-jaraco.functools all 4.0.2-1 [11.7 kB] Get: 229 http://deb.debian.org/debian trixie/main arm64 python3-pkg-resources all 74.1.2-2 [213 kB] Get: 230 http://deb.debian.org/debian trixie/main arm64 python3-numpy arm64 1:1.26.4+ds-11 [3351 kB] Get: 231 http://deb.debian.org/debian trixie/main arm64 python3-contourpy arm64 1.3.0-1 [187 kB] Get: 232 http://deb.debian.org/debian trixie/main arm64 python3-cycler all 0.12.1-1 [9496 B] Get: 233 http://deb.debian.org/debian trixie/main arm64 python3-six all 1.16.0-7 [16.4 kB] Get: 234 http://deb.debian.org/debian trixie/main arm64 python3-dateutil all 2.9.0-2 [79.4 kB] Get: 235 http://deb.debian.org/debian trixie/main arm64 python3-decorator all 5.1.1-5 [15.1 kB] Get: 236 http://deb.debian.org/debian trixie/main arm64 python3.12-dev arm64 3.12.6-1 [506 kB] Get: 237 http://deb.debian.org/debian trixie/main arm64 python3-dev arm64 3.12.5-1+b1 [26.1 kB] Get: 238 http://deb.debian.org/debian trixie/main arm64 python3-scipy arm64 1.13.1-5 [15.4 MB] Get: 239 http://deb.debian.org/debian trixie/main arm64 python3-ufolib2 all 0.16.0+dfsg1-1 [32.9 kB] Get: 240 http://deb.debian.org/debian trixie/main arm64 python3-mpmath all 1.3.0-1 [419 kB] Get: 241 http://deb.debian.org/debian trixie/main arm64 python3-sympy all 1.13.2-1 [4147 kB] Get: 242 http://deb.debian.org/debian trixie/main arm64 python3-tz all 2024.1-2 [30.9 kB] Get: 243 http://deb.debian.org/debian trixie/main arm64 python3-fs all 2.4.16-4 [95.4 kB] Get: 244 http://deb.debian.org/debian trixie/main arm64 python3-lxml arm64 5.3.0-1 [1096 kB] Get: 245 http://deb.debian.org/debian trixie/main arm64 python3-lz4 arm64 4.0.2+dfsg-1+b4 [25.1 kB] Get: 246 http://deb.debian.org/debian trixie/main arm64 python3-unicodedata2 arm64 15.1.0+ds-1+b2 [297 kB] Get: 247 http://deb.debian.org/debian trixie/main arm64 unicode-data all 15.1.0-1 [8547 kB] Get: 248 http://deb.debian.org/debian trixie/main arm64 python3-fonttools arm64 4.46.0-1+b1 [1319 kB] Get: 249 http://deb.debian.org/debian trixie/main arm64 python3-h5py-serial arm64 3.11.0-5 [887 kB] Get: 250 http://deb.debian.org/debian trixie/main arm64 python3-h5py all 3.11.0-5 [14.7 kB] Get: 251 http://deb.debian.org/debian trixie/main arm64 python3-kiwisolver arm64 1.4.5-1+b1 [55.1 kB] Get: 252 http://deb.debian.org/debian trixie/main arm64 python3-pil arm64 10.4.0-1 [480 kB] Get: 253 http://deb.debian.org/debian trixie/main arm64 python3.12-tk arm64 3.12.6-1 [110 kB] Get: 254 http://deb.debian.org/debian trixie/main arm64 python3.13-tk arm64 3.13.0~rc2-1 [101 kB] Get: 255 http://deb.debian.org/debian trixie/main arm64 python3-tk arm64 3.12.6-1 [9428 B] Get: 256 http://deb.debian.org/debian trixie/main arm64 python3-pil.imagetk arm64 10.4.0-1 [79.4 kB] Get: 257 http://deb.debian.org/debian trixie/main arm64 python3-pyparsing all 3.1.2-1 [146 kB] Get: 258 http://deb.debian.org/debian trixie/main arm64 python3-packaging all 24.1-1 [45.8 kB] Get: 259 http://deb.debian.org/debian trixie/main arm64 python3-matplotlib arm64 3.8.3-3 [5509 kB] Get: 260 http://deb.debian.org/debian trixie/main arm64 python3-zipp all 3.20.2-1 [10.3 kB] Get: 261 http://deb.debian.org/debian trixie/main arm64 python3-setuptools all 74.1.2-2 [736 kB] Get: 262 http://deb.debian.org/debian trixie/main arm64 quilt all 0.68-1 [437 kB] Get: 263 http://deb.debian.org/debian trixie/main arm64 swig arm64 4.2.1-1 [1350 kB] Fetched 197 MB in 2s (126 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:arm64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19900 files and directories currently installed.) Preparing to unpack .../libpython3.12-minimal_3.12.6-1_arm64.deb ... Unpacking libpython3.12-minimal:arm64 (3.12.6-1) ... Selecting previously unselected package libexpat1:arm64. Preparing to unpack .../libexpat1_2.6.3-1_arm64.deb ... Unpacking libexpat1:arm64 (2.6.3-1) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.6-1_arm64.deb ... Unpacking python3.12-minimal (3.12.6-1) ... Setting up libpython3.12-minimal:arm64 (3.12.6-1) ... Setting up libexpat1:arm64 (2.6.3-1) ... Setting up python3.12-minimal (3.12.6-1) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20220 files and directories currently installed.) Preparing to unpack .../00-python3-minimal_3.12.5-1+b1_arm64.deb ... Unpacking python3-minimal (3.12.5-1+b1) ... Selecting previously unselected package media-types. Preparing to unpack .../01-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../02-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../03-tzdata_2024a-4_all.deb ... Unpacking tzdata (2024a-4) ... Selecting previously unselected package libkrb5support0:arm64. Preparing to unpack .../04-libkrb5support0_1.21.3-3_arm64.deb ... Unpacking libkrb5support0:arm64 (1.21.3-3) ... Selecting previously unselected package libcom-err2:arm64. Preparing to unpack .../05-libcom-err2_1.47.1-1_arm64.deb ... Unpacking libcom-err2:arm64 (1.47.1-1) ... Selecting previously unselected package libk5crypto3:arm64. Preparing to unpack .../06-libk5crypto3_1.21.3-3_arm64.deb ... Unpacking libk5crypto3:arm64 (1.21.3-3) ... Selecting previously unselected package libkeyutils1:arm64. Preparing to unpack .../07-libkeyutils1_1.6.3-3_arm64.deb ... Unpacking libkeyutils1:arm64 (1.6.3-3) ... Selecting previously unselected package libkrb5-3:arm64. Preparing to unpack .../08-libkrb5-3_1.21.3-3_arm64.deb ... Unpacking libkrb5-3:arm64 (1.21.3-3) ... Selecting previously unselected package libgssapi-krb5-2:arm64. Preparing to unpack .../09-libgssapi-krb5-2_1.21.3-3_arm64.deb ... Unpacking libgssapi-krb5-2:arm64 (1.21.3-3) ... Selecting previously unselected package libtirpc-common. Preparing to unpack .../10-libtirpc-common_1.3.4+ds-1.3_all.deb ... Unpacking libtirpc-common (1.3.4+ds-1.3) ... Selecting previously unselected package libtirpc3t64:arm64. Preparing to unpack .../11-libtirpc3t64_1.3.4+ds-1.3_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3 to /lib/aarch64-linux-gnu/libtirpc.so.3.usr-is-merged by libtirpc3t64' Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3.0.0 to /lib/aarch64-linux-gnu/libtirpc.so.3.0.0.usr-is-merged by libtirpc3t64' Unpacking libtirpc3t64:arm64 (1.3.4+ds-1.3) ... Selecting previously unselected package libnsl2:arm64. Preparing to unpack .../12-libnsl2_1.3.0-3+b2_arm64.deb ... Unpacking libnsl2:arm64 (1.3.0-3+b2) ... Selecting previously unselected package readline-common. Preparing to unpack .../13-readline-common_8.2-5_all.deb ... Unpacking readline-common (8.2-5) ... Selecting previously unselected package libreadline8t64:arm64. Preparing to unpack .../14-libreadline8t64_8.2-5_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8 to /lib/aarch64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8.2 to /lib/aarch64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8 to /lib/aarch64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8.2 to /lib/aarch64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:arm64 (8.2-5) ... Selecting previously unselected package libpython3.12-stdlib:arm64. Preparing to unpack .../15-libpython3.12-stdlib_3.12.6-1_arm64.deb ... Unpacking libpython3.12-stdlib:arm64 (3.12.6-1) ... Selecting previously unselected package python3.12. Preparing to unpack .../16-python3.12_3.12.6-1_arm64.deb ... Unpacking python3.12 (3.12.6-1) ... Selecting previously unselected package libpython3-stdlib:arm64. Preparing to unpack .../17-libpython3-stdlib_3.12.5-1+b1_arm64.deb ... Unpacking libpython3-stdlib:arm64 (3.12.5-1+b1) ... Setting up python3-minimal (3.12.5-1+b1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21294 files and directories currently installed.) Preparing to unpack .../000-python3_3.12.5-1+b1_arm64.deb ... Unpacking python3 (3.12.5-1+b1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../001-sensible-utils_0.0.24_all.deb ... Unpacking sensible-utils (0.0.24) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../002-libmagic-mgc_1%3a5.45-3_arm64.deb ... Unpacking libmagic-mgc (1:5.45-3) ... Selecting previously unselected package libmagic1t64:arm64. Preparing to unpack .../003-libmagic1t64_1%3a5.45-3_arm64.deb ... Unpacking libmagic1t64:arm64 (1:5.45-3) ... Selecting previously unselected package file. Preparing to unpack .../004-file_1%3a5.45-3_arm64.deb ... Unpacking file (1:5.45-3) ... Selecting previously unselected package gettext-base. Preparing to unpack .../005-gettext-base_0.22.5-2_arm64.deb ... Unpacking gettext-base (0.22.5-2) ... Selecting previously unselected package libuchardet0:arm64. Preparing to unpack .../006-libuchardet0_0.0.8-1+b1_arm64.deb ... Unpacking libuchardet0:arm64 (0.0.8-1+b1) ... Selecting previously unselected package groff-base. 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Unpacking libxdmcp6:arm64 (1:1.1.2-3+b1) ... Selecting previously unselected package libxcb1:arm64. Preparing to unpack .../026-libxcb1_1.17.0-2_arm64.deb ... Unpacking libxcb1:arm64 (1.17.0-2) ... Selecting previously unselected package libx11-data. Preparing to unpack .../027-libx11-data_2%3a1.8.7-1_all.deb ... Unpacking libx11-data (2:1.8.7-1) ... Selecting previously unselected package libx11-6:arm64. Preparing to unpack .../028-libx11-6_2%3a1.8.7-1+b1_arm64.deb ... Unpacking libx11-6:arm64 (2:1.8.7-1+b1) ... Selecting previously unselected package libxrender1:arm64. Preparing to unpack .../029-libxrender1_1%3a0.9.10-1.1+b1_arm64.deb ... Unpacking libxrender1:arm64 (1:0.9.10-1.1+b1) ... Selecting previously unselected package libxft2:arm64. Preparing to unpack .../030-libxft2_2.3.6-1+b1_arm64.deb ... Unpacking libxft2:arm64 (2.3.6-1+b1) ... Selecting previously unselected package libxext6:arm64. Preparing to unpack .../031-libxext6_2%3a1.3.4-1+b1_arm64.deb ... Unpacking libxext6:arm64 (2:1.3.4-1+b1) ... Selecting previously unselected package x11-common. Preparing to unpack .../032-x11-common_1%3a7.7+23.1_all.deb ... Unpacking x11-common (1:7.7+23.1) ... Selecting previously unselected package libxss1:arm64. Preparing to unpack .../033-libxss1_1%3a1.2.3-1+b1_arm64.deb ... Unpacking libxss1:arm64 (1:1.2.3-1+b1) ... Selecting previously unselected package libtk8.6:arm64. Preparing to unpack .../034-libtk8.6_8.6.15-1_arm64.deb ... Unpacking libtk8.6:arm64 (8.6.15-1) ... Selecting previously unselected package tk8.6-blt2.5. Preparing to unpack .../035-tk8.6-blt2.5_2.5.3+dfsg-7_arm64.deb ... Unpacking tk8.6-blt2.5 (2.5.3+dfsg-7) ... Selecting previously unselected package blt. Preparing to unpack .../036-blt_2.5.3+dfsg-7_arm64.deb ... Unpacking blt (2.5.3+dfsg-7) ... Selecting previously unselected package chrpath. Preparing to unpack .../037-chrpath_0.16-2+b1_arm64.deb ... Unpacking chrpath (0.16-2+b1) ... 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Unpacking dh-strip-nondeterminism (1.14.0-1) ... Selecting previously unselected package libelf1t64:arm64. Preparing to unpack .../044-libelf1t64_0.191-2_arm64.deb ... Unpacking libelf1t64:arm64 (0.191-2) ... Selecting previously unselected package dwz. Preparing to unpack .../045-dwz_0.15-1+b1_arm64.deb ... Unpacking dwz (0.15-1+b1) ... Selecting previously unselected package libicu72:arm64. Preparing to unpack .../046-libicu72_72.1-5_arm64.deb ... Unpacking libicu72:arm64 (72.1-5) ... Selecting previously unselected package libxml2:arm64. Preparing to unpack .../047-libxml2_2.12.7+dfsg+really2.9.14-0.1_arm64.deb ... Unpacking libxml2:arm64 (2.12.7+dfsg+really2.9.14-0.1) ... Selecting previously unselected package gettext. Preparing to unpack .../048-gettext_0.22.5-2_arm64.deb ... Unpacking gettext (0.22.5-2) ... Selecting previously unselected package intltool-debian. Preparing to unpack .../049-intltool-debian_0.35.0+20060710.6_all.deb ... Unpacking intltool-debian (0.35.0+20060710.6) ... Selecting previously unselected package po-debconf. Preparing to unpack .../050-po-debconf_1.0.21+nmu1_all.deb ... Unpacking po-debconf (1.0.21+nmu1) ... Selecting previously unselected package debhelper. Preparing to unpack .../051-debhelper_13.20_all.deb ... Unpacking debhelper (13.20) ... Selecting previously unselected package diffstat. Preparing to unpack .../052-diffstat_1.66-1_arm64.deb ... Unpacking diffstat (1.66-1) ... Selecting previously unselected package ed. Preparing to unpack .../053-ed_1.20.2-2_arm64.deb ... Unpacking ed (1.20.2-2) ... Selecting previously unselected package fonts-lyx. Preparing to unpack .../054-fonts-lyx_2.4.1-2_all.deb ... Unpacking fonts-lyx (2.4.1-2) ... Selecting previously unselected package libgfortran5:arm64. Preparing to unpack .../055-libgfortran5_14.2.0-3_arm64.deb ... Unpacking libgfortran5:arm64 (14.2.0-3) ... Selecting previously unselected package libgfortran-14-dev:arm64. 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Setting up libgc-dev:arm64 (1:8.2.8-1) ... Setting up libtasn1-6-dev:arm64 (4.19.0-3+b2) ... Setting up libwebpmux3:arm64 (1.4.0-0.1) ... Setting up libgdsii0:arm64 (0.2+ds.1-1+b1) ... Setting up libdrm-common (2.4.123-1) ... Setting up readline-common (8.2-5) ... Setting up libxml2:arm64 (2.12.7+dfsg+really2.9.14-0.1) ... Setting up libbrotli-dev:arm64 (1.1.0-2+b4) ... Setting up chrpath (0.16-2+b1) ... Setting up libp11-kit-dev:arm64 (0.25.5-2) ... Setting up libblas-dev:arm64 (3.12.0-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/blas/libblas.so to provide /usr/lib/aarch64-linux-gnu/libblas.so (libblas.so-aarch64-linux-gnu) in auto mode Setting up libsz2:arm64 (1.1.3-1) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up automake (1:1.16.5-1.3) ... update-alternatives: using /usr/bin/automake-1.16 to provide /usr/bin/automake (automake) in auto mode Setting up libgfortran-14-dev:arm64 (14.2.0-3) ... Setting up libfile-stripnondeterminism-perl (1.14.0-1) ... Setting up liblapack3:arm64 (3.12.0-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/aarch64-linux-gnu/liblapack.so.3 (liblapack.so.3-aarch64-linux-gnu) in auto mode Setting up libncurses-dev:arm64 (6.5-2) ... Setting up gettext (0.22.5-2) ... Setting up libgsl-dev (2.8+dfsg-3) ... Setting up libgmp-dev:arm64 (2:6.3.0+dfsg-2+b1) ... Setting up nettle-dev:arm64 (3.10-1) ... Setting up libxrender1:arm64 (1:0.9.10-1.1+b1) ... Setting up libtool (2.4.7-7) ... Setting up libfftw3-bin (3.3.10-1+b3) ... Setting up libevent-pthreads-2.1-7t64:arm64 (2.1.12-stable-10) ... Setting up fontconfig-config (2.15.0-1.1) ... Setting up libgdsii-dev:arm64 (0.2+ds.1-1+b1) ... Setting up libwebpdemux2:arm64 (1.4.0-0.1) ... Setting up libaec-dev:arm64 (1.1.3-1) ... Setting up libjpeg-dev:arm64 (1:2.1.5-3) ... Setting up libxext6:arm64 (2:1.3.4-1+b1) ... Setting up quilt (0.68-1) ... Setting up libldap-2.5-0:arm64 (2.5.18+dfsg-3) ... Setting up pkgconf:arm64 (1.8.1-3) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up libnl-route-3-200:arm64 (3.7.0-0.3) ... Setting up libxnvctrl0:arm64 (535.171.04-1) ... Setting up dh-autoreconf (20) ... Setting up libltdl-dev:arm64 (2.4.7-7+b1) ... Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libllvm17t64:arm64 (1:17.0.6-18) ... Setting up libfreetype6:arm64 (2.13.3+dfsg-1) ... Setting up liblapack-dev:arm64 (3.12.0-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so to provide /usr/lib/aarch64-linux-gnu/liblapack.so (liblapack.so-aarch64-linux-gnu) in auto mode Setting up libgssapi-krb5-2:arm64 (1.21.3-3) ... Setting up libssh2-1-dev:arm64 (1.11.0-7) ... Setting up libjs-sphinxdoc (7.4.7-3) ... Setting up libharminv3 (1.4.2-1) ... Setting up libreadline8t64:arm64 (8.2-5) ... Setting up dh-strip-nondeterminism (1.14.0-1) ... Setting up libdrm2:arm64 (2.4.123-1) ... Setting up groff-base (1.23.0-5) ... Setting up gfortran-14-aarch64-linux-gnu (14.2.0-3) ... Setting up libxslt1.1:arm64 (1.1.35-1.1) ... Setting up libharfbuzz0b:arm64 (9.0.0-1) ... Setting up gfortran-aarch64-linux-gnu (4:14.1.0-2) ... Setting up libamd-comgr2:arm64 (6.0+git20231212.4510c28+dfsg-3+b1) ... Setting up libxss1:arm64 (1:1.2.3-1+b1) ... Setting up libfontconfig1:arm64 (2.15.0-1.1) ... Setting up gfortran-14 (14.2.0-3) ... Setting up libharminv-dev (1.4.2-1) ... Setting up libfftw3-dev:arm64 (3.3.10-1+b3) ... Setting up liblbfgsb0:arm64 (3.0+dfsg.4-1+b1) ... Setting up libdrm-amdgpu1:arm64 (2.4.123-1) ... Setting up libgnutls28-dev:arm64 (3.8.6-2) ... Setting up libnghttp2-dev:arm64 (1.63.0-1) ... Setting up libibverbs1:arm64 (52.0-2) ... Setting up libxft2:arm64 (2.3.6-1+b1) ... Setting up libcurl4t64:arm64 (8.10.1-1) ... Setting up libtirpc3t64:arm64 (1.3.4+ds-1.3) ... Setting up ibverbs-providers:arm64 (52.0-2) ... Setting up guile-3.0-libs:arm64 (3.0.10+really3.0.9-1) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libtk8.6:arm64 (8.6.15-1) ... Setting up python3.12-tk (3.12.6-1) ... Setting up libctl7t64:arm64 (4.5.1-3) ... Setting up libreadline-dev:arm64 (8.2-5) ... Setting up libhwloc-plugins:arm64 (2.11.0-2) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up gfortran (4:14.1.0-2) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up python3.13-tk (3.13.0~rc2-1) ... Setting up libraqm0:arm64 (0.10.1-1+b1) ... Setting up librtmp-dev:arm64 (2.4+20151223.gitfa8646d.1-2+b4) ... Setting up libpmix2t64:arm64 (5.0.3-2) ... Setting up libnsl2:arm64 (1.3.0-3+b2) ... Setting up librdmacm1t64:arm64 (52.0-2) ... Setting up libhdf5-103-1t64:arm64 (1.10.10+repack-4) ... Setting up guile-3.0 (3.0.10+really3.0.9-1) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/guile/3.0/bin/guile to provide /usr/bin/guile (guile) in auto mode Setting up libhsakmt1:arm64 (5.7.0-1) ... Setting up libfabric1:arm64 (1.17.0-3+b1) ... Setting up libhdf5-hl-100t64:arm64 (1.10.10+repack-4) ... Setting up tk8.6-blt2.5 (2.5.3+dfsg-7) ... Setting up libpython3.12-stdlib:arm64 (3.12.6-1) ... Setting up blt (2.5.3+dfsg-7) ... Setting up python3.12 (3.12.6-1) ... Setting up libhdf5-cpp-103-1t64:arm64 (1.10.10+repack-4) ... Setting up libhdf5-fortran-102t64:arm64 (1.10.10+repack-4) ... Setting up debhelper (13.20) ... Setting up libpython3.12t64:arm64 (3.12.6-1) ... Setting up libcurl4-openssl-dev:arm64 (8.10.1-1) ... Setting up libhsa-runtime64-1:arm64 (5.7.1-3) ... Setting up guile-3.0-dev (3.0.10+really3.0.9-1) ... update-alternatives: using /usr/bin/guile-config-3.0 to provide /usr/bin/guile-config (guile-config) in auto mode update-alternatives: using /usr/share/aclocal/guile-3.0.m4 to provide /usr/share/aclocal/guile.m4 (guile-autoconf-macros) in auto mode Setting up libhdf5-hl-cpp-100t64:arm64 (1.10.10+repack-4) ... Setting up libpython3-stdlib:arm64 (3.12.5-1+b1) ... Setting up libhdf5-hl-fortran-100t64:arm64 (1.10.10+repack-4) ... Setting up python3 (3.12.5-1+b1) ... Setting up libpython3.12-dev:arm64 (3.12.6-1) ... Setting up python3-zipp (3.20.2-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up python3-tz (2024.1-2) ... Setting up libctl-dev:arm64 (4.5.1-3) ... Setting up python3-six (1.16.0-7) ... Setting up python3-pil:arm64 (10.4.0-1) ... Setting up python3-decorator (5.1.1-5) ... Setting up python3-packaging (24.1-1) ... Setting up libamdhip64-5 (5.7.1-3) ... Setting up python3-pyparsing (3.1.2-1) ... Setting up python3-brotli (1.1.0-2+b4) ... Setting up python3-cycler (0.12.1-1) ... Setting up libhdf5-dev (1.10.10+repack-4) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up python3-kiwisolver (1.4.5-1+b1) ... Setting up python3.12-dev (3.12.6-1) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up python3-lxml:arm64 (5.3.0-1) ... Setting up python3-dateutil (2.9.0-2) ... Setting up python3-mpmath (1.3.0-1) ... Setting up python3-appdirs (1.4.4-4) ... Setting up python3-more-itertools (10.4.0-1) ... Setting up python3-sympy (1.13.2-1) ... Setting up python3-attr (23.2.0-2) ... Setting up libucx0:arm64 (1.17.0+ds-3) ... Setting up libpython3-dev:arm64 (3.12.5-1+b1) ... Setting up python3-jaraco.functools (4.0.2-1) ... Setting up python3-jaraco.context (6.0.0-1) ... Setting up python3-lz4 (4.0.2+dfsg-1+b4) ... Setting up python3-unicodedata2 (15.1.0+ds-1+b2) ... Setting up python3-typeguard (4.3.0-1) ... Setting up python3-tk:arm64 (3.12.6-1) ... Setting up python3-inflect (7.3.1-2) ... Setting up python3-pil.imagetk:arm64 (10.4.0-1) ... Setting up python3-dev (3.12.5-1+b1) ... Setting up libopenmpi3t64:arm64 (4.1.6-13.3) ... Setting up python3-pkg-resources (74.1.2-2) ... Setting up python3-setuptools (74.1.2-2) ... Setting up libhdf5-openmpi-103-1t64:arm64 (1.10.10+repack-4) ... Setting up python3-fs (2.4.16-4) ... Setting up mpb (1.11.1-6) ... Setting up python3-numpy (1:1.26.4+ds-11) ... Setting up python3-contourpy (1.3.0-1) ... Setting up python3-scipy (1.13.1-5) ... Setting up python3-h5py-serial (3.11.0-5) ... Setting up python3-h5py (3.11.0-5) ... Setting up python3-fonttools (4.46.0-1+b1) ... Setting up python3-ufolib2 (0.16.0+dfsg1-1) ... Setting up python3-matplotlib (3.8.3-3) ... Processing triggers for libc-bin (2.40-2) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: Running cd /build/reproducible-path/meep-1.25.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.25.0-4_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.25.0-4 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Thorsten Alteholz dpkg-source --before-build . dpkg-buildpackage: info: host architecture arm64 debian/rules clean dh clean --with autoreconf debian/rules override_dh_clean make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' # we do not need this anymore rm -f tests/latest_output dh_clean make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' debian/rules binary dh binary --with autoreconf dh_update_autotools_config dh_autoreconf libtoolize: putting auxiliary files in '.'. libtoolize: copying file './ltmain.sh' libtoolize: putting macros in AC_CONFIG_MACRO_DIRS, 'm4'. libtoolize: copying file 'm4/libtool.m4' libtoolize: copying file 'm4/ltoptions.m4' libtoolize: copying file 'm4/ltsugar.m4' libtoolize: copying file 'm4/ltversion.m4' libtoolize: copying file 'm4/lt~obsolete.m4' configure.ac:74: warning: The macro 'AC_TRY_COMPILE' is obsolete. configure.ac:74: You should run autoupdate. ./lib/autoconf/general.m4:2845: AC_TRY_COMPILE is expanded from... m4/ax_mpi.m4:69: AX_MPI is expanded from... configure.ac:74: the top level configure.ac:64: installing './compile' configure.ac:109: installing './config.guess' configure.ac:109: installing './config.sub' configure.ac:12: installing './install-sh' configure.ac:12: installing './missing' libpympb/Makefile.am: installing './depcomp' python/Makefile.am:234: installing './py-compile' parallel-tests: installing './test-driver' debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' # the latest patch is only needed on architectures without SSE or other special stuff if [ "arm64" = "i386" ] || \ [ "arm64" = "hurd-i386" ] ; then \ echo "all patches needed, do nothing here"; \ else \ echo "we don't need the last patch"; \ quilt pop; \ fi we don't need the last patch Removing patch debian/patches/i386-fix.patch Restoring src/mympi.cpp Now at patch debian/patches/python-distutils.patch F77=gfortran dh_auto_configure -- --host=aarch64-linux-gnu --build=aarch64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode ./configure --build=aarch64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/aarch64-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking --host=aarch64-linux-gnu --build=aarch64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane... yes checking for a race-free mkdir -p... /usr/bin/mkdir -p checking for gawk... no checking for mawk... mawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking whether make supports nested variables... (cached) yes checking whether to enable maintainer-specific portions of Makefiles... yes checking for aarch64-linux-gnu-gcc... aarch64-linux-gnu-gcc checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether the compiler supports GNU C... yes checking whether aarch64-linux-gnu-gcc accepts -g... yes checking for aarch64-linux-gnu-gcc option to enable C11 features... none needed checking whether aarch64-linux-gnu-gcc understands -c and -o together... yes checking whether make supports the include directive... yes (GNU style) checking dependency style of aarch64-linux-gnu-gcc... none checking for aarch64-linux-gnu-g++... aarch64-linux-gnu-g++ checking whether the compiler supports GNU C++... yes checking whether aarch64-linux-gnu-g++ accepts -g... yes checking for aarch64-linux-gnu-g++ option to enable C++11 features... none needed checking dependency style of aarch64-linux-gnu-g++... none checking whether aarch64-linux-gnu-g++ supports C++11 features by default... yes checking build system type... aarch64-unknown-linux-gnu checking host system type... aarch64-unknown-linux-gnu checking for C++ compiler vendor... gnu checking how to print strings... printf checking for a sed that does not truncate output... /usr/bin/sed checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for fgrep... /usr/bin/grep -F checking for ld used by aarch64-linux-gnu-gcc... /usr/bin/ld checking if the linker (/usr/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/aarch64-linux-gnu-nm -B checking the name lister (/usr/bin/aarch64-linux-gnu-nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 1572864 checking how to convert aarch64-unknown-linux-gnu file names to aarch64-unknown-linux-gnu format... func_convert_file_noop checking how to convert aarch64-unknown-linux-gnu file names to toolchain format... func_convert_file_noop checking for /usr/bin/ld option to reload object files... -r checking for aarch64-linux-gnu-file... no checking for file... file checking for aarch64-linux-gnu-objdump... aarch64-linux-gnu-objdump checking how to recognize dependent libraries... pass_all checking for aarch64-linux-gnu-dlltool... no checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for aarch64-linux-gnu-ar... aarch64-linux-gnu-ar checking for archiver @FILE support... @ checking for aarch64-linux-gnu-strip... aarch64-linux-gnu-strip checking for aarch64-linux-gnu-ranlib... aarch64-linux-gnu-ranlib checking command to parse /usr/bin/aarch64-linux-gnu-nm -B output from aarch64-linux-gnu-gcc object... ok checking for sysroot... no checking for a working dd... /usr/bin/dd checking how to truncate binary pipes... /usr/bin/dd bs=4096 count=1 checking for aarch64-linux-gnu-mt... no checking for mt... no checking if : is a manifest tool... no checking for stdio.h... yes checking for stdlib.h... yes checking for string.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for strings.h... yes checking for sys/stat.h... yes checking for sys/types.h... yes checking for unistd.h... yes checking for dlfcn.h... yes checking for objdir... .libs checking if aarch64-linux-gnu-gcc supports -fno-rtti -fno-exceptions... no checking for aarch64-linux-gnu-gcc option to produce PIC... -fPIC -DPIC checking if aarch64-linux-gnu-gcc PIC flag -fPIC -DPIC works... yes checking if aarch64-linux-gnu-gcc static flag -static works... yes checking if aarch64-linux-gnu-gcc supports -c -o file.o... yes checking if aarch64-linux-gnu-gcc supports -c -o file.o... (cached) yes checking whether the aarch64-linux-gnu-gcc linker (/usr/bin/ld) supports shared libraries... yes checking whether -lc should be explicitly linked in... no checking dynamic linker characteristics... GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking whether stripping libraries is possible... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... yes checking whether to build static libraries... yes checking how to run the C++ preprocessor... aarch64-linux-gnu-g++ -E checking for ld used by aarch64-linux-gnu-g++... /usr/bin/ld checking if the linker (/usr/bin/ld) is GNU ld... yes checking whether the aarch64-linux-gnu-g++ linker (/usr/bin/ld) supports shared libraries... yes checking for aarch64-linux-gnu-g++ option to produce PIC... -fPIC -DPIC checking if aarch64-linux-gnu-g++ PIC flag -fPIC -DPIC works... yes checking if aarch64-linux-gnu-g++ static flag -static works... yes checking if aarch64-linux-gnu-g++ supports -c -o file.o... yes checking if aarch64-linux-gnu-g++ supports -c -o file.o... (cached) yes checking whether the aarch64-linux-gnu-g++ linker (/usr/bin/ld) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking for sin in -lm... yes checking for fftw_plan_dft_1d in -lfftw3... yes checking for aarch64-linux-gnu-g77... gfortran checking whether the compiler supports GNU Fortran 77... yes checking whether gfortran accepts -g... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... yes checking whether to build static libraries... yes checking for gfortran option to produce PIC... -fPIC checking if gfortran PIC flag -fPIC works... yes checking if gfortran static flag -static works... yes checking if gfortran supports -c -o file.o... yes checking if gfortran supports -c -o file.o... (cached) yes checking whether the gfortran linker (/usr/bin/ld) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking how to get verbose linking output from gfortran... -v checking for Fortran 77 libraries of gfortran... -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore checking if sgemm_ is being linked in already... no checking for sgemm_ in -lopenblas... no checking for ATL_xerbla in -latlas... no checking for sgemm_ in -lblas... yes checking for dgemm_ in -ldgemm... no checking for sgemm_ in -lmkl... no checking for sgemm_ in -framework vecLib... no checking for sgemm_ in -lcxml... no checking for sgemm_ in -ldxml... no checking for sgemm_ in -lscs... no checking for sgemm_ in -lcomplib.sgimath... no checking for sgemm_ in -lblas... (cached) yes checking for sgemm_ in -lessl... no checking for sgemm_ in -lblas... (cached) yes checking for cheev_... no checking for cheev_ in -llapack... yes checking for pkg-config... /usr/bin/pkg-config checking for harminv >= 1.1... yes checking HARMINV_CFLAGS... checking HARMINV_LIBS... -lharminv checking for mpb.h... yes checking for maxwell_target_operator1 in -lmpb... yes checking for cos in -lm... yes checking for cblas_dgemm in -lgslcblas... yes checking for gsl_sf_bessel_Jn in -lgsl... yes checking for deflate in -lz... yes checking for H5Pcreate in -lhdf5... yes checking for H5Pcreate... yes checking for hdf5.h... yes checking for H5Pset_mpi... no checking for H5Pset_fapl_mpio... no checking for guile-config... guile-config checking if linking to guile works... yes checking for libguile.h... yes checking for guile/gh.h... no checking for scm_make_smob_type... yes checking for SCM_SMOB_PREDICATE... no checking for SCM_SMOB_DATA... no checking for SCM_NEWSMOB... no checking how to activate readline in Guile... ice-9 readline checking for libctl dir... /usr/share/libctl checking for gen-ctl-io... gen-ctl-io checking for ctl_get_vector3 in -lctl... yes checking for ctl.h... yes checking whether libctl version is at least 4.2.0... checking for egrep -e... (cached) /usr/bin/grep -E ok checking for libctl_quiet feature... yes checking for vector3_dot in -lctlgeom... yes checking for libGDSII.h... yes checking for libGDSIIExists in -lGDSII... yes checking for libGDSII::GetLayers... no checking for feenableexcept... yes checking whether feenableexcept declaration is usable... yes checking whether to catch and ignore SIGFPE signals... yes checking for sys/time.h... yes checking for immintrin.h... no checking for BSDgettimeofday... no checking for gettimeofday... yes checking for cblas_ddot... yes checking for cblas_daxpy... yes checking for jn... yes checking for C/C++ restrict keyword... no checking for swig... swig checking for python... no checking for python2... no checking for python3... /usr/bin/python3 checking for python version... 3.12 checking for python platform... linux checking for GNU default python prefix... ${prefix} checking for GNU default python exec_prefix... ${exec_prefix} checking for python script directory (pythondir)... ${PYTHON_PREFIX}/lib/python3.12/site-packages checking for python extension module directory (pyexecdir)... ${PYTHON_EXEC_PREFIX}/lib/python3.12/site-packages checking for Python include directory... /usr/include/python3.12 checking for Python.h... yes checking for Numpy include directory... /usr/lib/python3/dist-packages/numpy/core/include checking for numpy/arrayobject.h... yes checking that generated files are newer than configure... done configure: creating ./config.status config.status: creating scheme/Makefile config.status: creating scheme/meep.scm config.status: creating libpympb/Makefile config.status: creating python/Makefile config.status: creating Makefile config.status: creating meep-pkgconfig config.status: creating src/Makefile config.status: creating src/support/Makefile config.status: creating tests/Makefile config.status: creating src/meep/meep-config.h config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' dh_auto_build make -j12 make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' Making all in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make sphere_quad (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/') > step_generic_stride1.cpp make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[4]: warning: jobserver unavailable: using -j1. 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-Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o .libs/anisotropic_averaging.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c fields.cpp -fPIC -DPIC -o .libs/fields.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o .libs/dft_ldos.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c fields_dump.cpp -fPIC -DPIC -o .libs/fields_dump.o dft.cpp:269: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 269 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) { boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const': boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=] 120 | switch (d) { | ^~~~~~ boundaries.cpp:128:5: note: here 128 | case D3: | ^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. 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-Wall -W -c output_directory.cpp -fPIC -DPIC -o .libs/output_directory.o mympi.cpp: In function 'void meep::abort(const char*, ...)': mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 248 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, va_list)': mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 692 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o sources.lo sources.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c random.cpp -fPIC -DPIC -o .libs/random.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step.lo step.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_db.lo step_db.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1 step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 144 | CHUNK_OPENMP libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o stress.lo stress.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o .libs/step_db.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o structure.lo structure.cpp output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 115 | snprintf(outdirname, buflen, "%s-out", basename); | ^~~~ In file included from /usr/include/stdio.h:970, from output_directory.cpp:18: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); | ^~ ~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~ output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o structure_dump.lo structure_dump.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1 In file included from sources.cpp:27: meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': meep_internals.hpp:82:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] 82 | std::vector > amp; // amplitudes | ^~~ meep_internals.hpp:78:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] 78 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling | ^~~~~~~~~~~~~~~~~~ sources.cpp:168:1: warning: when initialized here [-Wreorder] 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, | ^~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o susceptibility.lo susceptibility.cpp /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o time.lo time.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o update_eh.lo update_eh.cpp susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o mpb.lo mpb.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^ structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:970, from structure_dump.cpp:22: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o update_pols.lo update_pols.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~ structure_dump.cpp:748:31: note: directive argument in the range [0, 19] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ structure_dump.cpp:748:31: note: directive argument in the range [0, 4] In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o vec.lo vec.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic.lo step_generic.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 step_generic.cpp:91: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 91 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:97: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 97 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:104: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 104 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:109: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 109 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic.cpp:118: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 118 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:128: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 128 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:138: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 138 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:146: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 146 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:162: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 162 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:172: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 172 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:182: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 182 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:189: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 189 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:202: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 202 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:216: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 216 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:229: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 229 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:239: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 239 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:267: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 267 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:279: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 279 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:290: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 290 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:298: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 298 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:309: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 309 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:317: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 317 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:327: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 327 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic.cpp:330: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 330 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic.cpp:392: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 392 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:407: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 407 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:419: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 419 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:431: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 431 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:447: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 447 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 460 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:473: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 473 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:484: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 484 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 494 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:506: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 506 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:517: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 517 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:526: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 526 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:535: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 535 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:548: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 548 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:558: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 558 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:568: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 568 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:576: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 576 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:583: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 583 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meepgeom.lo meepgeom.cpp /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o step_generic_stride1.cpp:93: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 93 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:93: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:99: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 99 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:99: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:106: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 106 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:106: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:111: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 111 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic_stride1.cpp:111: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:120: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 120 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:120: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:130: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 130 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:130: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:140: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 140 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:140: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:148: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 148 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:148: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:164: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 164 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:164: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:174: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 174 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:174: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:184: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 184 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:184: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:191: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 191 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:191: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:204: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 204 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:204: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:218: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 218 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:218: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:231: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 231 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:231: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:241: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 241 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:241: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:269: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 269 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:269: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:281: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 281 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:281: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:292: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 292 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:292: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:300: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 300 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:300: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:311: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 311 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:311: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:319: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 319 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:319: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 329 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic_stride1.cpp:329: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:332: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 332 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic_stride1.cpp:332: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:394: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 394 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:394: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:409: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 409 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:409: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:421: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 421 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:421: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:433: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 433 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:433: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:449: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 449 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:449: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:462: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 462 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:462: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:475: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 475 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:475: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:486: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 486 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:486: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:508: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 508 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:508: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:519: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 519 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:519: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:528: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 528 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:528: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:537: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 537 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:537: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:550: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 550 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:550: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:560: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 560 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:560: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:570: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 570 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:570: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:578: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 578 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:578: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:585: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 585 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } step_generic_stride1.cpp:585: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { | ^~~~~~~~~~~~ meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] 2685 | std::complex row_1[3], row_2[3], dA_du[3]; | ^~~~~ meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector, std::vector, double*, double, meep::grid_volume&, meep::volume&, geom_epsilon*, double)': meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2838 | for (int i = 0; i < ng * nf; i++) { | ~~^~~~~~~~~ meepgeom.cpp:2854:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2854:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2855 | current_adjoint_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2861:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2861:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2862 | current_forward_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; | ~~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2832:88: warning: unused parameter 'where' [-Wunused-parameter] 2832 | double scalegrad, meep::grid_volume &gv, meep::volume &where, | ~~~~~~~~~~~~~~^~~~~ meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] 2617 | } | ^ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, double, meep::grid_volume&, double)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2825 | vector3_to_vec(p), geps, adjoint_c, forward_c, fwd, adj, freq, gv, tol); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.30 -o .libs/libmeep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.30" && ln -s "libmeep.so.30.0.0" "libmeep.so.30") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.30.0.0" "libmeep.so") libtool: link: (cd .libs/libmeep.lax/libsupport.a && aarch64-linux-gnu-ar x "/build/reproducible-path/meep-1.25.0/src/support/.libs/libsupport.a") libtool: link: aarch64-linux-gnu-ar cr .libs/libmeep.a array_slice.o anisotropic_averaging.o bands.o boundaries.o bicgstab.o casimir.o cw_fields.o dft.o dft_ldos.o energy_and_flux.o fields.o fields_dump.o fix_boundary_sources.o loop_in_chunks.o h5fields.o h5file.o initialize.o integrate.o integrate2.o material_data.o monitor.o mympi.o multilevel-atom.o near2far.o output_directory.o random.o sources.o step.o step_db.o stress.o structure.o structure_dump.o susceptibility.o time.o update_eh.o mpb.o update_pols.o vec.o step_generic.o meepgeom.o GDSIIgeom.o step_generic_stride1.o .libs/libmeep.lax/libsupport.a/mt19937ar.o libtool: link: aarch64-linux-gnu-ranlib .libs/libmeep.a libtool: link: rm -fr .libs/libmeep.lax libtool: link: ( cd ".libs" && rm -f "libmeep.la" && ln -s "../libmeep.la" "libmeep.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' Making all in tests make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[3]: Nothing to be done for 'all'. make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' Making all in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' gen-ctl-io --cxx --header -o ctl-io.h meep.scm /usr/share/libctl gen-ctl-io --cxx --swig -o ctl-io.i meep.scm /usr/share/libctl (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; perl -pe 's/^ *class +([A-Za-z_0-9:]*)( *| *:[^{]*){.*$/%rename(meep_\1) meep::\1;/' ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | grep "%rename" | sed '/meep_fields_chunk/d ; /meep_comms_manager/d ; /meep_comms_key_hash_fn/d ; /meep_timing_scope/d' | sort -u; echo; grep -hv typedef ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/(inline|const|extern|static) +//g' | perl -pe 's/^[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%rename(meep_\1) meep::\1;/' | grep "%rename" | sed '/choose_chunkdivision/d ; /meep_create_comms_manager/d' | sort -u; ) > meep_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; for f in ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp; do egrep "^enum" $f | perl -pe 's/enum +([A-Za-z_0-9:]+).*$/\1/g' | while read enum; do cat $f | tr -d '\n' | perl -pe 's/.*enum +'${enum}' *{([^}]*)}.*/\1/g' | perl -pe 's/= *[0-9]+//g' |tr -d ' \t' | tr ',' '\n' | perl -pe 's/^(.*)$/'"%rename(meep_${enum}_\1) meep::\1;/g"; echo; done; done;) > meep_enum_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; grep -h friend ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/^ *friend +[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%ignore \1;/' | grep "%ignore" | sort -u;) > meep_swig_bug_workaround.i (perl -pe 's/%rename\(([A-Za-z0-9_]*)\) *([A-Za-z0-9:_]*);$/(define \2 (\1))/' meep_enum_renames.i | perl -pe 's/[A-Za-z0-9:_]*:://g' | perl -pe 's/_/-/g' | perl -pe 's,//,;,'; echo "(define Centered Dielectric)") > meep-enums.scm ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.25.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.6/usr/share/libctl/base/include.scm.go swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.25.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.6/usr/share/libctl/base/include.scm.go cp -f /usr/share/libctl/base/main.c main.cpp cp -f /usr/share/libctl/utils/geom.c geom.cpp gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl patch -p0 meep_wrap.cxx < ./meep_wrap.patch patching file meep_wrap.cxx Hunk #1 succeeded at 813 (offset 62 lines). sed -i.bak '/(SCM_SMOB_PREDICATE(swig_tag, smob) || SCM_SMOB_PREDICATE(swig_collectable_tag, smob))/ s/swig_collectable_tag, smob)/swig_collectable_tag, smob) || SCM_SMOB_PREDICATE((swig_collectable_tag \& ~0xff00), (smob))/' meep_wrap.cxx; make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-meep.o `test -f 'meep.cpp' || echo './'`meep.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-structure.o `test -f 'structure.cpp' || echo './'`structure.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-meep_wrap.o `test -f 'meep_wrap.cxx' || echo './'`meep_wrap.cxx aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-main.o `test -f 'main.cpp' || echo './'`main.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-geom.o `test -f 'geom.cpp' || echo './'`geom.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-ctl-io.o `test -f 'ctl-io.cpp' || echo './'`ctl-io.cpp geom.cpp:22:9: warning: "_GNU_SOURCE" redefined 22 | #define _GNU_SOURCE | ^~~~~~~~~~~ : note: this is the location of the previous definition In file included from ctl-io.h:7, from main.cpp:37: main.cpp: In function 'void main_entry(void*, int, char**)': main.cpp:194:31: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 194 | gh_new_procedure("subplex", (SCM(*)(void))subplex_scm, 7, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:202:44: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 202 | gh_new_procedure("adaptive-integration", (SCM(*)(void))adaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:205:45: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 205 | gh_new_procedure("cadaptive-integration", (SCM(*)(void))cadaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from ctl-io.h:7, from ctl-io.cpp:7: ctl-io.cpp: In function 'void ctlio::export_external_functions()': ctl-io.cpp:2229:38: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2229 | gh_new_procedure("square-basis-aux", (SCM (*)()) square_basis_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2230:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2230 | gh_new_procedure("range-overlap-with-object-aux", (SCM (*)()) range_overlap_with_object_aux, 5, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2231:55: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2231 | gh_new_procedure("display-geometric-object-info-aux", (SCM (*)()) display_geometric_object_info_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2232:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2232 | gh_new_procedure("point-in-periodic-object?-aux", (SCM (*)()) point_in_periodic_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2233:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2233 | gh_new_procedure("normal-to-object-aux", (SCM (*)()) normal_to_object_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2234:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2234 | gh_new_procedure("point-in-object?-aux", (SCM (*)()) point_in_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)': geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] 2357 | vector3 axisp = vector3_scale(height, zhatp); | ^~~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 581 | mat2 = mat1; | ~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 595 | mat_front = mat1; | ~~~~~~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)': meep_wrap.cxx:36013:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36013 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36016:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36016 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_1(int, scm_unused_struct**)': meep_wrap.cxx:36078:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36078 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36081:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36081 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_2(int, scm_unused_struct**)': meep_wrap.cxx:36142:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36142 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36145 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:30:1: warning: multi-line comment [-Wcomment] 30 | // #define LOOP_XYZ(md) \ | ^ pympb.cpp: In member function 'void py_mpb::mode_solver::fix_field_phase()': pympb.cpp:56:16: warning: comparison between two arrays [-Warray-compare] 56 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:71:9: note: in definition of macro 'CHECK' 71 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2012:3: note: in expansion of macro 'mpi_allreduce' 2012 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ pympb.cpp:56:16: note: use unary '+' which decays operands to pointers or '&(sq_sum2)[0] != &(sq_sum)[0]' to compare the addresses 56 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:71:9: note: in definition of macro 'CHECK' 71 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2012:3: note: in expansion of macro 'mpi_allreduce' 2012 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.30" && ln -s "libpympb.so.30.0.0" "libpympb.so.30") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.30.0.0" "libpympb.so") libtool: link: aarch64-linux-gnu-ar cr .libs/libpympb.a libpympb_la-pympb.o libtool: link: aarch64-linux-gnu-ranlib .libs/libpympb.a libtool: link: ( cd ".libs" && rm -f "libpympb.la" && ln -s "../libpympb.la" "libpympb.la" ) make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' Making all in python make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/python' swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o meep-python.cxx ./meep.i swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o mpb-python.cxx ./mpb.i ../src/meep.hpp:1633: Warning 362: operator= ignored ../src/meep.hpp:1633: Warning 362: operator= ignored cp meep.py __init__.py echo "__version__ = '1.25.0'" >> __init__.py if [[ "4.2.1" = 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' __init__.py; \ sed -i.bak 's/ import _meep/from . import _meep/' __init__.py; \ fi if [[ "4.2.1" == 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' mpb.py; \ sed -i.bak 's/ import _mpb/from . import _mpb/' mpb.py; \ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o In file included from mpb-python.cxx:3362: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector, std::vector, std::vector, std::vector, std::vector, meep::grid_volume&, const meep::boundary_region&, const meep::symmetry&, int, double, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep::structure*, bool, const meep::binary_partition*)': meep-python.cxx:7494:62: warning: unused parameter 'alist' [-Wunused-parameter] 7494 | meep_geom::absorber_list alist, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx:7495:67: warning: unused parameter 'extra_materials' [-Wunused-parameter] 7495 | meep_geom::material_type_list extra_materials, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~ meep-python.cxx:7497:42: warning: unused parameter 'set_materials' [-Wunused-parameter] 7497 | bool set_materials, | ~~~~~^~~~~~~~~~~~~ meep-python.cxx: In function 'meep_geom::geom_epsilon* _set_materials(meep::structure*, vector3, meep::grid_volume&, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep_geom::geom_epsilon*, bool, const meep::binary_partition*)': meep-python.cxx:7541:29: warning: unused parameter 'cell_size' [-Wunused-parameter] 7541 | vector3 cell_size, | ~~~~~~~~^~~~~~~~~ meep-python.cxx:7542:40: warning: unused parameter 'gv' [-Wunused-parameter] 7542 | meep::grid_volume &gv, | ~~~~~~~~~~~~~~~~~~~^~ meep-python.cxx:7555:26: warning: unused parameter 'output_chunk_costs' [-Wunused-parameter] 7555 | bool output_chunk_costs, | ~~~~~^~~~~~~~~~~~~~~~~~ meep-python.cxx:7556:51: warning: unused parameter 'my_bp' [-Wunused-parameter] 7556 | const meep::binary_partition *my_bp) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:25531:87: warning: unused parameter 'varargs' [-Wunused-parameter] 25531 | SWIGINTERN PyObject *_wrap_abort__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort(PyObject*, PyObject*)': meep-python.cxx:25564:44: warning: unused parameter 'self' [-Wunused-parameter] 25564 | SWIGINTERN PyObject *_wrap_abort(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125657:95: warning: unused parameter 'varargs' [-Wunused-parameter] 125657 | SWIGINTERN PyObject *_wrap_master_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf(PyObject*, PyObject*)': meep-python.cxx:125690:52: warning: unused parameter 'self' [-Wunused-parameter] 125690 | SWIGINTERN PyObject *_wrap_master_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125704:102: warning: unused parameter 'varargs' [-Wunused-parameter] 125704 | SWIGINTERN PyObject *_wrap_master_printf_stderr__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr(PyObject*, PyObject*)': meep-python.cxx:125737:59: warning: unused parameter 'self' [-Wunused-parameter] 125737 | SWIGINTERN PyObject *_wrap_master_printf_stderr(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125751:94: warning: unused parameter 'varargs' [-Wunused-parameter] 125751 | SWIGINTERN PyObject *_wrap_debug_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf(PyObject*, PyObject*)': meep-python.cxx:125784:51: warning: unused parameter 'self' [-Wunused-parameter] 125784 | SWIGINTERN PyObject *_wrap_debug_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125798:96: warning: unused parameter 'varargs' [-Wunused-parameter] 125798 | SWIGINTERN PyObject *_wrap_master_fprintf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf(PyObject*, PyObject*)': meep-python.cxx:125840:53: warning: unused parameter 'self' [-Wunused-parameter] 125840 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 In file included from meep-python.cxx:4065: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.30 -o .libs/_mpb.so.30.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.30" && ln -s "_mpb.so.30.0.0" "_mpb.so.30") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.30.0.0" "_mpb.so") libtool: link: aarch64-linux-gnu-ar cr .libs/_mpb.a _mpb_la-mpb-python.o libtool: link: aarch64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.30" && ln -s "_meep.so.30.0.0" "_meep.so.30") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.30.0.0" "_meep.so") libtool: link: aarch64-linux-gnu-ar cr .libs/_meep.a _meep_la-meep-python.o libtool: link: aarch64-linux-gnu-ranlib .libs/_meep.a libtool: link: ( cd ".libs" && rm -f "_meep.la" && ln -s "../_meep.la" "_meep.la" ) mkdir -p meep/adjoint cp __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py .libs/_meep.so meep cp ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/wrapper.py ./adjoint/utils.py meep/adjoint mkdir -p meep/mpb cp .libs/_mpb.so meep/mpb cp ./mpb.py meep/mpb/__init__.py cp ./solver.py ./mpb_data.py meep/mpb make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.25.0' cp -f ./meep-pkgconfig meep.pc make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' echo arm64 arm64 if [ "arm64" = "armel" ] || \ [ "arm64" = "riscv64" ] || \ [ "arm64" = "hurd-i386" ] ; then \ echo "Do not make tests on this architecture" ;\ else \ echo "Do make tests on this architecture" ;\ make check; \ find; \ cat python/test-suite.log; \ fi Do make tests on this architecture make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' Making check in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make check-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making check in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Nothing to be done for 'check'. make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[5]: Nothing to be done for 'check-am'. make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' Making check in tests make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o aniso_disp.o aniso_disp.cpp /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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-Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-slice-ll array-slice-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/array-slice-ll array-slice-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack 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-Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o user-defined-material user-defined-material.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/user-defined-material user-defined-material.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o dft-fields.o dft-fields.cpp /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o dft-fields dft-fields.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/dft-fields dft-fields.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o gdsII-3d.o gdsII-3d.cpp /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o gdsII-3d gdsII-3d.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/gdsII-3d gdsII-3d.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas 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-mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bend-flux-ll bend-flux-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/bend-flux-ll bend-flux-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o array-metadata.o array-metadata.cpp /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make check-TESTS make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' PASS: aniso_disp PASS: bench PASS: bragg_transmission PASS: convergence_cyl_waveguide PASS: cylindrical PASS: dump_load PASS: flux PASS: harmonics PASS: integrate PASS: known_results PASS: near2far PASS: one_dimensional PASS: physical PASS: stress_tensor PASS: symmetry PASS: three_d PASS: two_dimensional PASS: 2D_convergence PASS: h5test PASS: pml PASS: cyl-ellipsoid-ll PASS: array-slice-ll PASS: ring-ll ============================================================================ Testsuite summary for meep 1.25.0 ============================================================================ # TOTAL: 23 # PASS: 23 # SKIP: 0 # XFAIL: 0 # FAIL: 0 # XPASS: 0 # ERROR: 0 ============================================================================ make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' Making check in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make[4]: Nothing to be done for 'check-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making check in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' make[3]: Nothing to be done for 'check'. make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' Making check in python make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make check-TESTS make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/python' PASS: tests/test_3rd_harm_1d.py PASS: tests/test_absorber_1d.py FAIL: tests/test_adjoint_solver.py FAIL: tests/test_adjoint_utils.py FAIL: tests/test_adjoint_cyl.py FAIL: tests/test_adjoint_jax.py PASS: tests/test_antenna_radiation.py PASS: tests/test_array_metadata.py PASS: tests/test_bend_flux.py FAIL: tests/test_binary_partition_utils.py FAIL: tests/test_binary_grating.py PASS: tests/test_cavity_arrayslice.py PASS: tests/test_cavity_farfield.py FAIL: tests/test_chunk_balancer.py PASS: tests/test_chunk_layout.py PASS: tests/test_chunks.py PASS: tests/test_conductivity.py PASS: tests/test_cyl_ellipsoid.py PASS: tests/test_dft_energy.py PASS: tests/test_dft_fields.py PASS: tests/test_diffracted_planewave.py PASS: tests/test_dispersive_eigenmode.py PASS: tests/test_divide_mpi_processes.py PASS: tests/test_dump_load.py PASS: tests/test_eigfreq.py PASS: tests/test_faraday_rotation.py PASS: tests/test_field_functions.py PASS: tests/test_force.py PASS: tests/test_fragment_stats.py PASS: tests/test_gaussianbeam.py PASS: tests/test_geom.py PASS: tests/test_get_point.py FAIL: tests/test_get_epsilon_grid.py PASS: tests/test_holey_wvg_bands.py PASS: tests/test_holey_wvg_cavity.py PASS: tests/test_integrated_source.py PASS: tests/test_kdom.py PASS: tests/test_ldos.py PASS: tests/test_material_dispersion.py FAIL: tests/test_material_grid.py PASS: tests/test_materials_library.py PASS: tests/test_medium_evaluations.py FAIL: tests/test_mpb.py PASS: tests/test_mode_coeffs.py PASS: tests/test_mode_decomposition.py FAIL: tests/test_multilevel_atom.py PASS: tests/test_n2f_periodic.py PASS: tests/test_oblique_source.py PASS: tests/test_physical.py PASS: tests/test_prism.py PASS: tests/test_pw_source.py FAIL: tests/test_refl_angular.py FAIL: tests/test_ring.py PASS: tests/test_ring_cyl.py PASS: tests/test_simulation.py FAIL: tests/test_special_kz.py PASS: tests/test_source.py PASS: tests/test_timing_measurements.py PASS: tests/test_user_defined_material.py PASS: tests/test_visualization.py PASS: tests/test_wvg_src.py ============================================================================ Testsuite summary for meep 1.25.0 ============================================================================ # TOTAL: 61 # PASS: 47 # SKIP: 0 # XFAIL: 0 # FAIL: 14 # XPASS: 0 # ERROR: 0 ============================================================================ See 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./python/tests/__pycache__/utils.cpython-312.pyc ./python/tests/test_3rd_harm_1d.log ./python/tests/utils.py ./python/tests/test_wvg_src.py ./python/tests/test_visualization.py ./python/tests/test_verbosity_mgr.py ./python/tests/test_user_defined_material.py ./python/tests/test_timing_measurements.py ./python/tests/test_special_kz.py ./python/tests/test_source.py ./python/tests/test_simulation.py ./python/tests/test_ring_cyl.py ./python/tests/test_ring.py ./python/tests/test_refl_angular.py ./python/tests/test_pw_source.py ./python/tests/test_prism.py ./python/tests/test_physical.py ./python/tests/test_oblique_source.py ./python/tests/test_n2f_periodic.py ./python/tests/test_multilevel_atom.py ./python/tests/test_mpb.py ./python/tests/test_mode_decomposition.py ./python/tests/test_mode_coeffs.py ./python/tests/test_medium_evaluations.py ./python/tests/test_materials_library.py ./python/tests/test_material_grid.py ./python/tests/test_material_dispersion.py ./python/tests/test_ldos.py ./python/tests/test_kdom.py ./python/tests/test_integrated_source.py ./python/tests/test_holey_wvg_cavity.py ./python/tests/test_holey_wvg_bands.py ./python/tests/test_get_point.py ./python/tests/test_get_epsilon_grid.py ./python/tests/test_geom.py ./python/tests/test_gaussianbeam.py ./python/tests/test_fragment_stats.py ./python/tests/test_force.py ./python/tests/test_field_functions.py ./python/tests/test_faraday_rotation.py ./python/tests/test_eigfreq.py ./python/tests/test_dump_load.py ./python/tests/test_divide_mpi_processes.py ./python/tests/test_dispersive_eigenmode.py ./python/tests/test_diffracted_planewave.py ./python/tests/test_dft_fields.py ./python/tests/test_dft_energy.py ./python/tests/test_cyl_ellipsoid.py ./python/tests/test_conductivity.py ./python/tests/test_chunks.py ./python/tests/test_chunk_layout.py ./python/tests/test_chunk_balancer.py ./python/tests/test_cavity_farfield.py ./python/tests/test_cavity_arrayslice.py ./python/tests/test_binary_partition_utils.py ./python/tests/test_binary_grating.py ./python/tests/test_bend_flux.py ./python/tests/test_array_metadata.py ./python/tests/test_antenna_radiation.py ./python/tests/test_adjoint_utils.py ./python/tests/test_adjoint_solver.py ./python/tests/test_adjoint_jax.py ./python/tests/test_adjoint_cyl.py ./python/tests/test_absorber_1d.py ./python/tests/test_3rd_harm_1d.py ./python/tests/data ./python/tests/data/tutorial-tot.rpwr.k16.b08.te.h5 ./python/tests/data/tutorial-te-eigenvectors.h5 ./python/tests/data/tutorial-te-eigenvectors-8-1.h5 ./python/tests/data/tutorial-te-eigenvectors-3-3.h5 ./python/tests/data/tutorial-mu.h5 ./python/tests/data/tutorial-h.k16.b08.te.h5 ./python/tests/data/tutorial-flux.v.k11.b08.te.h5 ./python/tests/data/tutorial-epsilon.h5 ./python/tests/data/tutorial-e.k16.b08.z.tm.h5 ./python/tests/data/tutorial-e.k16.b08.te.h5 ./python/tests/data/tutorial-d.k16.b08.te.h5 ./python/tests/data/tutorial-d.k16.b02.te.h5 ./python/tests/data/tutorial-d.k01.b02.te.h5 ./python/tests/data/tutorial-b.k16.b08.te.h5 ./python/tests/data/tutorial-C.k16.b08.te.h5 ./python/tests/data/tri-rods-epsilon-r-m3-n32.h5 ./python/tests/data/tri-rods-e.k11.b08.z.tm.h5 ./python/tests/data/tri-rods-e.k11.b08.z.tm-r-m3-n32.h5 ./python/tests/data/subpixel_avg-epsilon.h5 ./python/tests/data/strip-flux.v.k01.b04.x.h5 ./python/tests/data/spiral.gds ./python/tests/data/nonconvex_prism_vertices3.npz ./python/tests/data/nonconvex_prism_vertices2.npz ./python/tests/data/nonconvex_prism_vertices1.npz ./python/tests/data/line-defect-e.k04.b12.z.tm.h5 ./python/tests/data/hole-slab-h.k01.b09.z.zeven.h5 ./python/tests/data/eps_input_file_test.h5 ./python/tests/data/diamond-dpwr.k06.b05.h5 ./python/tests/data/convex_prism_vertices.npz ./python/tests/data/converted-tri-rods-e.k11.b08.tm.h5 ./python/tests/data/converted-diamond-dpwr.k06.b05.h5 ./python/tests/data/cavity_arrayslice_2d.npy ./python/tests/data/cavity_arrayslice_1d.npy ./python/tests/data/cavity-farfield.h5 ./python/tests/data/cavity-farfield-4-freqs.h5 ./python/tests/data/bragg-h.k01.b08.y.tm.h5 ./python/tests/data/bend-flux.gds ./python/tests/data/amp_func_file.h5 ./python/source.py ./python/solver.py ./python/simulation.py ./python/requirements.txt ./python/numpy.i ./python/mpb_data.py ./python/mpb.i ./python/meep.i ./python/meep-python.hpp ./python/materials.py ./python/geom.py ./python/examples ./python/examples/__pycache__ ./python/examples/__pycache__/mpb_tri_holes.cpython-312.pyc ./python/examples/__pycache__/mpb_strip.cpython-312.pyc ./python/examples/__pycache__/mpb_sq_rods.cpython-312.pyc ./python/examples/__pycache__/mpb_line_defect.cpython-312.pyc ./python/examples/__pycache__/mpb_honey_rods.cpython-312.pyc ./python/examples/__pycache__/mpb_hole_slab.cpython-312.pyc ./python/examples/__pycache__/mpb_tri_rods.cpython-312.pyc ./python/examples/__pycache__/mpb_diamond.cpython-312.pyc ./python/examples/__pycache__/mpb_bragg_sine.cpython-312.pyc ./python/examples/__pycache__/mpb_bragg.cpython-312.pyc ./python/examples/zone_plate.py ./python/examples/zone_plate.ipynb ./python/examples/wvg-src.py ./python/examples/straight-waveguide.py ./python/examples/straight-waveguide.ipynb ./python/examples/stochastic_emitter_reciprocity.py ./python/examples/stochastic_emitter_line.py ./python/examples/stochastic_emitter.py ./python/examples/stochastic_emitter.ipynb ./python/examples/solve-cw.py ./python/examples/solve-cw.ipynb ./python/examples/ring_gds.py ./python/examples/ring.py ./python/examples/ring.ipynb ./python/examples/ring-mode-overlap.py ./python/examples/ring-cyl.py ./python/examples/refl-quartz.py ./python/examples/refl-quartz.ipynb ./python/examples/refl-angular.py ./python/examples/refl-angular.ipynb ./python/examples/refl-angular-kz2d.py ./python/examples/pw-source.py ./python/examples/polarization_grating.py ./python/examples/polarization_grating.ipynb ./python/examples/planar_cavity_ldos.py ./python/examples/phase_in_material.py ./python/examples/perturbation_theory_2d.py ./python/examples/perturbation_theory.py ./python/examples/perturbation_theory.ipynb ./python/examples/parallel-wvgs-mpb.py ./python/examples/parallel-wvgs-force.py ./python/examples/parallel-wvgs-force.ipynb ./python/examples/oblique-source.py ./python/examples/oblique-source.ipynb ./python/examples/oblique-planewave.py ./python/examples/oblique-planewave.ipynb ./python/examples/multilevel-atom.py ./python/examples/mpb_tutorial.py ./python/examples/mpb_tri_rods.py ./python/examples/mpb_tri_holes.py ./python/examples/mpb_strip.py ./python/examples/mpb_sq_rods.py ./python/examples/mpb_line_defect.py ./python/examples/mpb_honey_rods.py ./python/examples/mpb_hole_slab.py ./python/examples/mpb_diamond.py ./python/examples/mpb_data_analysis.py ./python/examples/mpb_bragg_sine.py ./python/examples/mpb_bragg.py ./python/examples/mode-decomposition.py ./python/examples/mode-decomposition.ipynb ./python/examples/mie_scattering.py ./python/examples/mie_scattering.ipynb ./python/examples/metasurface_lens.py ./python/examples/metasurface_lens.ipynb ./python/examples/metal-cavity-ldos.py ./python/examples/metal-cavity-ldos.ipynb ./python/examples/media ./python/examples/media/visualization_out_plane.mp4 ./python/examples/media/visualization_normalize.mp4 ./python/examples/media/visualization_demo.mp4 ./python/examples/media/visualization_demo.gif ./python/examples/media/straight_waveguide.mp4 ./python/examples/media/ring_simple.mp4 ./python/examples/media/ring_mid.mp4 ./python/examples/media/ring_large.mp4 ./python/examples/media/oblique-source-normal.mp4 ./python/examples/media/oblique-source-eig.mp4 ./python/examples/media/holey-wvg-bands-0.4-0.3175.mp4 ./python/examples/media/holey-wvg-bands-0.4-0.1896.mp4 ./python/examples/media/holey-wvg-bands-0.3-0.8838.mp4 ./python/examples/media/holey-wvg-bands-0.25-0.2506.mp4 ./python/examples/media/holey-wvg-bands-0.1-0.4811.mp4 ./python/examples/media/hole-wvg-cavity.mp4 ./python/examples/media/hole-wvg-cavity-res.mp4 ./python/examples/media/bent_waveguide.mp4 ./python/examples/material-dispersion.py ./python/examples/holey-wvg-cavity.py ./python/examples/holey-wvg-cavity.ipynb ./python/examples/holey-wvg-bands.py ./python/examples/holey-wvg-bands.ipynb ./python/examples/grating2d_triangular_lattice.py ./python/examples/gaussian-beam.py ./python/examples/finite_grating.py ./python/examples/finite_grating.ipynb ./python/examples/faraday-rotation.py ./python/examples/extraction_eff_ldos.py ./python/examples/eps_fit_lorentzian.py ./python/examples/diffracted_planewave.py ./python/examples/differential_cross_section.py ./python/examples/differential_cross_section.ipynb ./python/examples/cylinder_cross_section.py ./python/examples/cylinder_cross_section.ipynb ./python/examples/cyl-ellipsoid.py ./python/examples/coupler.py ./python/examples/coupler.ipynb ./python/examples/coupler.gds ./python/examples/chirped_pulse.py ./python/examples/cherenkov-radiation.py ./python/examples/cavity_arrayslice.py ./python/examples/cavity-farfield.py ./python/examples/cavity-farfield.ipynb ./python/examples/binary_grating_phasemap.py ./python/examples/binary_grating_phasemap.ipynb ./python/examples/binary_grating_oblique.py ./python/examples/binary_grating_oblique.ipynb ./python/examples/binary_grating_n2f.py ./python/examples/binary_grating_n2f.ipynb ./python/examples/binary_grating.py ./python/examples/binary_grating.ipynb ./python/examples/bent-waveguide.py ./python/examples/bent-waveguide.ipynb ./python/examples/bend-flux.py ./python/examples/bend-flux.ipynb ./python/examples/antenna_pec_ground_plane.py ./python/examples/antenna-radiation.py ./python/examples/antenna-radiation.ipynb ./python/examples/adjoint_optimization ./python/examples/adjoint_optimization/Fourier-Metalens.ipynb ./python/examples/adjoint_optimization/Fourier-Bend.ipynb ./python/examples/adjoint_optimization/Bend Minimax.ipynb ./python/examples/adjoint_optimization/06-Near2Far-Epigraph.ipynb ./python/examples/adjoint_optimization/05-Near2Far.ipynb ./python/examples/adjoint_optimization/04-Splitter.ipynb ./python/examples/adjoint_optimization/03-Filtered_Waveguide_Bend.ipynb ./python/examples/adjoint_optimization/02-Waveguide_Bend.ipynb ./python/examples/adjoint_optimization/01-Introduction.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints ./python/examples/adjoint_optimization/.ipynb_checkpoints/Bend Minimax-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/06-Near2Far-Epigraph-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/05-Near2Far-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/04-Splitter-checkpoint.ipynb ./python/examples/adjoint_optimization/.ipynb_checkpoints/03-Filtered_Waveguide_Bend-checkpoint.ipynb 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./python/adjoint/filters.py ./python/adjoint/filter_source.py ./python/adjoint/connectivity.py ./python/adjoint/basis.py ./python/adjoint/__init__.py ./python/Makefile.am ./monkeytype.sqlite3 ./mkdocs.yml ./meep-pkgconfig.in ./m4 ./m4/lt~obsolete.m4 ./m4/ltversion.m4 ./m4/ltsugar.m4 ./m4/ltoptions.m4 ./m4/libtool.m4 ./m4/pkg.m4 ./m4/ax_openmp.m4 ./m4/ax_mpi.m4 ./m4/ax_lapack.m4 ./m4/ax_gcc_x86_cpuid.m4 ./m4/ax_gcc_archflag.m4 ./m4/ax_cxx_maxopt.m4 ./m4/ax_cxx_compile_stdcxx.m4 ./m4/ax_compiler_vendor.m4 ./m4/ax_check_compiler_flags.m4 ./m4/ax_blas.m4 ./libpympb ./libpympb/libpympb.la ./libpympb/libpympb_la-pympb.lo ./libpympb/libpympb_la-pympb.o ./libpympb/.libs ./libpympb/.libs/libpympb.la ./libpympb/.libs/libpympb.lai ./libpympb/.libs/libpympb.a ./libpympb/.libs/libpympb.so ./libpympb/.libs/libpympb.so.30 ./libpympb/.libs/libpympb.so.30.0.0 ./libpympb/.libs/libpympb_la-pympb.o ./libpympb/Makefile ./libpympb/Makefile.in ./libpympb/pympb.hpp ./libpympb/pympb.cpp ./libpympb/Makefile.am ./index.md ./doc ./doc/requirements.txt ./doc/meep-logos.svg ./doc/generate_py_api.py ./doc/docs ./doc/docs/setup.py ./doc/docs/mdx_math.py ./doc/docs/mathjaxhelper.js ./doc/docs/index.md ./doc/docs/images ./doc/docs/images/zone_plate_schematic.png ./doc/docs/images/zone_plate_farfield.png ./doc/docs/images/waveguide_rotation_glancing_small.png ./doc/docs/images/waveguide_rotation_glancing.png ./doc/docs/images/waveguide-taper.png ./doc/docs/images/triangular_lattice.png ./doc/docs/images/swig_process.png ./doc/docs/images/subpixel_smoothing.png ./doc/docs/images/stochastic_emitter_trials.png ./doc/docs/images/stochastic_emitter_normalized_flux_comparison.png ./doc/docs/images/stochastic_emitter_line_normalized_flux_comparison.png ./doc/docs/images/stochastic_emitter_forward_vs_backward_flux_spectrum.png ./doc/docs/images/sphere_epsilon.png ./doc/docs/images/single_mode_eigsource_pulse.png ./doc/docs/images/ring_vary_radius.png ./doc/docs/images/ring_subpixel_smoothing_rate.png 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./.gitattributes ./.flake8 ./.clang-format ======================================== meep 1.25.0: python/test-suite.log ======================================== # TOTAL: 61 # PASS: 47 # SKIP: 0 # XFAIL: 0 # FAIL: 14 # XPASS: 0 # ERROR: 0 .. contents:: :depth: 2 FAIL: tests/test_adjoint_solver =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-7brkbjqm because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_solver.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.3945 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-xkgzji38 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_utils.py", line 13, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.3277 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ Matplotlib created a temporary cache directory at /tmp/matplotlib-xl5iququ because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_cyl.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.3227 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax ============================ Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_jax.py", line 3, in import jax ModuleNotFoundError: No module named 'jax' FAIL tests/test_adjoint_jax.py (exit status: 1) FAIL: tests/test_binary_partition_utils ======================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-nktswsmd because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0027 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating =============================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_binary_grating.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_binary_grating.py (exit status: 1) FAIL: tests/test_chunk_balancer =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-yfg3cakl because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0009 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-bt7ptunw because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.3239 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-2r21flha because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_material_grid.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.3850 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== Matplotlib created a temporary cache directory at /tmp/matplotlib-atrb3od7 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. /tmp/meepREy4kN/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.3, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001493692398071289 solve_kpoint (0,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8 Solving for bands 3 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 10.77194213866493 (192.122% change) linmin: converged after 7 iterations. iteration 2: trace = 3.0754972925257 (111.161% change) linmin: converged after 5 iterations. iteration 3: trace = 1.71668476265345 (56.7096% change) linmin: converged after 7 iterations. iteration 4: trace = 1.227420708969451 (33.2369% change) linmin: converged after 5 iterations. iteration 5: trace = 1.060832724595333 (14.5603% change) linmin: converged after 7 iterations. iteration 6: trace = 0.959975852113978 (9.98183% change) linmin: converged after 5 iterations. iteration 7: trace = 0.909240400209034 (5.42853% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8807679450969029 (3.18127% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8627797420484471 (2.0634% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8516588552680404 (1.29732% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8438574996288519 (0.920234% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8394516798595164 (0.523471% change) linmin: converged after 5 iterations. iteration 13: trace = 0.836629069249995 (0.336811% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8347678523808513 (0.222714% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8337466495477653 (0.122409% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8330292235347097 (0.0860855% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8325947181531635 (0.0521733% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8323092192026496 (0.0342961% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8321766146416989 (0.0159334% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8321119589360675 (0.00776977% change) linmin: converged after 7 iterations. iteration 21: trace = 0.8320745163302404 (0.00449981% change) linmin: converged after 4 iterations. iteration 22: trace = 0.832051317003098 (0.00278817% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320378597035315 (0.00161738% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8320296693273964 (0.00098438% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8320254490100094 (0.000507233% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8320231011390418 (0.000282188% change) linmin: converged after 5 iterations. iteration 27: trace = 0.8320218176827396 (0.000154257% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8320210651241119 (9.04494e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 0.8320205764596325 (5.87322e-05% change) linmin: converged after 19 iterations. iteration 30: trace = 0.8320203215435755 (3.06382e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 0.8320202068470011 (1.37853e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320201439100389 (7.56436e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320201056776415 (4.59513e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200829980432 (2.72585e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 0.8320200693466452 (1.64075e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8320200636019381 (6.90453e-07% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200604494776 (3.78892e-07% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8320200588885164 (1.87611e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 0.8320200580360128 (1.02462e-07% change) linmin: converged after 19 iterations. iteration 40: trace = 0.8320200576147273 (5.0634e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 0.8320200574061474 (2.50691e-08% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8320200572926048 (1.36466e-08% change) linmin: converged after 9 iterations. iteration 43: trace = 0.8320200572315926 (7.33302e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 0.832020057198161 (4.01812e-09% change) linmin: converged after 5 iterations. iteration 45: trace = 0.8320200571762048 (2.6389e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8320200571626069 (1.63432e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 0.8320200571545783 (9.6495e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 0.832020057150025 (5.47252e-10% change) linmin: converged after 4 iterations. iteration 49: trace = 0.8320200571472434 (3.34327e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 0.8320200571454062 (2.20812e-10% change) linmin: converged after 6 iterations. iteration 51: trace = 0.8320200571444556 (1.14249e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 0.8320200571439178 (6.46369e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 elapsed time for k point: 0.11549568176269531 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8411857073604645 (1.48851% change) linmin: converged after 8 iterations. iteration 2: trace = 0.8364158268943164 (0.568655% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8353099576195202 (0.132303% change) linmin: converged after 6 iterations. iteration 4: trace = 0.8342493413734591 (0.127053% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8327506867263736 (0.179803% change) linmin: converged after 5 iterations. iteration 6: trace = 0.8318022392492346 (0.113958% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8313248193318883 (0.0574123% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8309940498477346 (0.0397962% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8307771087497984 (0.0261096% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8306786823965296 (0.0118482% change) linmin: converged after 4 iterations. iteration 11: trace = 0.830620418876548 (0.00701421% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8305831498030515 (0.004487% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8305591613818109 (0.00288818% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8305450047313113 (0.00170449% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8305386872319382 (0.000760648% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8305355879462613 (0.000373166% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8305341210791168 (0.000176617% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8305331675841161 (0.000114805% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8305325811294096 (7.06119e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8305322746123353 (3.69061e-05% change) linmin: converged after 7 iterations. iteration 21: trace = 0.8305320916748304 (2.20265e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8305320019893665 (1.07986e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8305319557056104 (5.57278e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8305319292924483 (3.18027e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8305319161092475 (1.58732e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8305319042197319 (1.43155e-06% change) linmin: converged after 21 iterations. iteration 27: trace = 0.8305318965921982 (9.18391e-07% change) linmin: converged after 10 iterations. iteration 28: trace = 0.8305318905535406 (7.27083e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8305318875553995 (3.6099e-07% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8305318858786155 (2.01893e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8305318849630696 (1.10236e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8305318845533121 (4.93368e-08% change) linmin: converged after 12 iterations. iteration 33: trace = 0.830531884211193 (4.11928e-08% change) linmin: converged after 15 iterations. iteration 34: trace = 0.8305318840358398 (2.11134e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8305318839403582 (1.14964e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8305318839001288 (4.84381e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 0.830531883874691 (3.06283e-09% change) linmin: converged after 24 iterations. iteration 38: trace = 0.8305318838577096 (2.04464e-09% change) linmin: converged after 18 iterations. iteration 39: trace = 0.8305318838472706 (1.2569e-09% change) linmin: converged after 23 iterations. iteration 40: trace = 0.8305318838419788 (6.37154e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8305318838394073 (3.09621e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8305318838374599 (2.34481e-10% change) linmin: converged after 19 iterations. iteration 43: trace = 0.8305318838359887 (1.77134e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8305318838350271 (1.1579e-10% change) linmin: converged after 4 iterations. iteration 45: trace = 0.8305318838345979 (5.16792e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 elapsed time for k point: 0.14922094345092773 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.836315860096732 (1.66557% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8340975083083036 (0.265605% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8332458664916265 (0.102156% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8322497918498211 (0.119613% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8311832900375034 (0.128229% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8306432394277228 (0.0649948% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8303416617015291 (0.0363131% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8301707132794689 (0.0205898% change) linmin: converged after 4 iterations. iteration 9: trace = 0.830078155996353 (0.0111498% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8300183450119853 (0.00720572% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8299838209971111 (0.00415951% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8299580236592101 (0.00310822% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8299441420167275 (0.00167259% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8299355104420545 (0.00104002% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8299314094940895 (0.00049413% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8299288478334526 (0.00030866% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8299269859865059 (0.000224338% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8299257864059029 (0.000144541% change) linmin: converged after 5 iterations. iteration 19: trace = 0.8299250658247074 (8.68248e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8299246454651557 (5.06503e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8299243778997404 (3.22397e-05% change) linmin: converged after 7 iterations. iteration 22: trace = 0.8299242050799038 (2.08236e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8299241006170228 (1.2587e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8299240288709508 (8.6449e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8299239857346447 (5.19762e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8299239648673498 (2.51436e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8299239559095053 (1.07936e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8299239507817767 (6.17855e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.829923948679026 (2.53367e-07% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8299239474471369 (1.48434e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8299239467745021 (8.10478e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8299239462912059 (5.82338e-08% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8299239460822325 (2.51798e-08% change) linmin: converged after 24 iterations. iteration 34: trace = 0.829923945946898 (1.63069e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8299239458765898 (8.47164e-09% change) linmin: converged after 10 iterations. iteration 36: trace = 0.8299239458198523 (6.83647e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8299239457895662 (3.64926e-09% change) linmin: converged after 22 iterations. iteration 38: trace = 0.8299239457730856 (1.9858e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8299239457622447 (1.30625e-09% change) linmin: converged after 23 iterations. iteration 40: trace = 0.8299239457533909 (1.06682e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 0.8299239457488158 (5.5127e-10% change) linmin: converged after 16 iterations. iteration 42: trace = 0.8299239457466069 (2.66157e-10% change) linmin: converged after 2 iterations. iteration 43: trace = 0.829923945745775 (1.00237e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8299239457452547 (6.26865e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 elapsed time for k point: 0.14523601531982422 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. iteration 1: trace = 0.8384579710388014 (1.6581% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8362067464145161 (0.268857% change) linmin: converged after 4 iterations. iteration 3: trace = 0.834959121441012 (0.149312% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8329527435092523 (0.240586% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8312082200197433 (0.209658% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8301835396589363 (0.123352% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8295953310521766 (0.0708779% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8291618777609253 (0.0522624% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8288536352392206 (0.0371821% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8286314540975082 (0.0268094% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8284802607009891 (0.0182478% change) linmin: converged after 3 iterations. iteration 12: trace = 0.828394573579545 (0.0103432% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8283427444947822 (0.00625677% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8283194330460465 (0.00281427% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8283033017531329 (0.00194749% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8282937079890141 (0.00115825% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8282878480627425 (0.000707472% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8282850045906595 (0.000343296% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8282833184112278 (0.000203575% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8282822463842839 (0.000129428% change) linmin: converged after 5 iterations. iteration 21: trace = 0.828281645933129 (7.24936e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8282813061972929 (4.1017e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8282810615722307 (2.95341e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8282809635218542 (1.18378e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8282809080507751 (6.69713e-06% change) linmin: converged after 7 iterations. iteration 26: trace = 0.8282808797258102 (3.41973e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8282808634907819 (1.96009e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8282808551640518 (1.0053e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8282808490579532 (7.37201e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8282808456817429 (4.07617e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8282808435851823 (2.53122e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8282808424976488 (1.313e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8282808418243391 (8.129e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8282808413684856 (5.50361e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8282808411400967 (2.75738e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8282808410003623 (1.68704e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8282808409003344 (1.20766e-08% change) linmin: converged after 27 iterations. iteration 38: trace = 0.8282808408204201 (9.64821e-09% change) linmin: converged after 7 iterations. iteration 39: trace = 0.8282808407815183 (4.69669e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8282808407436563 (4.57116e-09% change) linmin: converged after 25 iterations. iteration 41: trace = 0.8282808407148372 (3.47938e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8282808406920066 (2.75639e-09% change) linmin: converged after 2 iterations. iteration 43: trace = 0.8282808406803972 (1.40162e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8282808406737886 (7.9787e-10% change) linmin: converged after 10 iterations. iteration 45: trace = 0.8282808406704848 (3.98875e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8282808406687536 (2.09008e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 0.8282808406678077 (1.14202e-10% change) linmin: converged after 7 iterations. iteration 48: trace = 0.828280840667425 (4.62034e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 elapsed time for k point: 0.15791869163513184 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8297766891059705 (1.76584% change) linmin: converged after 4 iterations. iteration 2: trace = 0.827126168465749 (0.319937% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8255817084558966 (0.186901% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8228149488845111 (0.335691% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8213029828484377 (0.183924% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8204117591652833 (0.108572% change) linmin: converged after 4 iterations. iteration 7: trace = 0.820078298876689 (0.0406537% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8198547383796821 (0.0272646% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8197334194501104 (0.0147987% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8196549411872421 (0.00957409% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8196169098404152 (0.00464003% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8195957363298469 (0.00258338% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8195850475611317 (0.00130416% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8195801359377121 (0.000599284% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8195775858623278 (0.000311145% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8195759931744636 (0.000194331% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8195753474397359 (7.87889e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8195750259742762 (3.92234e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8195748466735 (2.18773e-05% change) linmin: converged after 9 iterations. iteration 20: trace = 0.8195747606874673 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8195747077048916 (6.46464e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8195746734680514 (4.17739e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8195746498620211 (2.88028e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8195746392254357 (1.29782e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.819574632834841 (7.79745e-07% change) linmin: converged after 13 iterations. iteration 26: trace = 0.8195746295494708 (4.00863e-07% change) linmin: converged after 13 iterations. iteration 27: trace = 0.819574628150171 (1.70735e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8195746272400561 (1.11047e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8195746268100966 (5.24613e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8195746265188533 (3.55359e-08% change) linmin: converged after 27 iterations. iteration 31: trace = 0.8195746264084736 (1.34679e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8195746263156771 (1.13225e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8195746262714612 (5.39499e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8195746262510966 (2.48478e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8195746262406717 (1.27199e-09% change) linmin: converged after 15 iterations. iteration 36: trace = 0.8195746262340665 (8.05925e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 0.8195746262311596 (3.54684e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8195746262301503 (1.2315e-10% change) linmin: converged after 11 iterations. iteration 39: trace = 0.8195746262296728 (5.82628e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 elapsed time for k point: 0.12912249565124512 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8202060387200576 (1.70382% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8182750241160189 (0.235708% change) linmin: converged after 4 iterations. iteration 3: trace = 0.817535559432626 (0.0904096% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8164009027530945 (0.138886% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8158262222327872 (0.0704167% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8155045628218415 (0.0394352% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8153935931190388 (0.0136084% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8153330404418098 (0.00742647% change) linmin: converged after 7 iterations. iteration 9: trace = 0.8153020394554229 (0.00380232% change) linmin: converged after 4 iterations. iteration 10: trace = 0.815283053454816 (0.00232873% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8152730327975205 (0.00122911% change) linmin: converged after 4 iterations. iteration 12: trace = 0.815266489638716 (0.000802576% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8152634044378041 (0.000378429% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8152616169738826 (0.00021925% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8152605303295448 (0.000133288% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8152599189119256 (7.49966e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8152596059346907 (3.83899e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8152594642120827 (1.73837e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8152593920835759 (8.84731e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8152593577039601 (4.21702e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8152593354987897 (2.72369e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 0.8152593247016575 (1.32438e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8152593173087741 (9.06814e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8152593138254385 (4.27267e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8152593120047846 (2.23322e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8152593112736239 (8.96844e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8152593110092122 (3.24328e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8152593108493351 (1.96106e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8152593107911446 (7.13768e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8152593107576598 (4.10725e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8152593107456172 (1.47715e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 0.8152593107377903 (9.60044e-10% change) linmin: converged after 10 iterations. iteration 33: trace = 0.8152593107338376 (4.84843e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8152593107317028 (2.61861e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8152593107306813 (1.253e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8152593107299846 (8.54532e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 elapsed time for k point: 0.11885356903076172 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8213704099867726 (1.52178% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8169092598691136 (0.544614% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8151043146603212 (0.221192% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8124543005631838 (0.325643% change) linmin: converged after 4 iterations. iteration 5: trace = 0.811240168559422 (0.149552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8106456426067773 (0.0733129% change) linmin: converged after 4 iterations. iteration 7: trace = 0.810403371041347 (0.0298907% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8102812528478489 (0.01507% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8102098418733521 (0.0088135% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8101705321405788 (0.00485191% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8101434675866164 (0.00334066% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8101271596843558 (0.00201298% change) linmin: converged after 4 iterations. iteration 13: trace = 0.810119052953955 (0.00100068% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8101141957189366 (0.000599572% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8101112551273706 (0.000362985% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101100249752458 (0.00015185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8101093505151843 (8.32554e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 0.8101090557261185 (3.63888e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101089101963076 (1.79642e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8101088685543416 (5.14029e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8101088443461921 (2.98826e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101088339233451 (1.2866e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8101088287653663 (6.36702e-07% change) linmin: converged after 17 iterations. iteration 24: trace = 0.8101088257061436 (3.77631e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 0.8101088238653266 (2.27231e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.810108822665528 (1.48103e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8101088219921038 (8.31276e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.810108821643532 (4.30278e-08% change) linmin: converged after 29 iterations. iteration 29: trace = 0.8101088214253349 (2.69343e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8101088213419808 (1.02892e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8101088213102635 (3.91519e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 0.8101088212925482 (2.18678e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8101088212829829 (1.18075e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8101088212792966 (4.55034e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8101088212770255 (2.80342e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.810108821275652 (1.69554e-10% change) linmin: converged after 10 iterations. iteration 37: trace = 0.8101088212748289 (1.01606e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8101088212743903 (5.41332e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 elapsed time for k point: 0.1258258819580078 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.809273371128195 (1.38558% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8062984969773834 (0.368275% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8053330558378826 (0.119809% change) linmin: converged after 5 iterations. iteration 4: trace = 0.80405922806096 (0.158299% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8034666835426599 (0.0737213% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8031100766844055 (0.0443934% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8029749352577331 (0.0168287% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028924749265977 (0.0102699% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8028467143041492 (0.00569963% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8028180397698028 (0.00357167% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8027995733460006 (0.00230023% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8027906687323354 (0.0011092% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8027867967539712 (0.000482316% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8027849000552016 (0.000236265% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8027839219051782 (0.000121845% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027834732207151 (5.58911e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8027832650213437 (2.59347e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8027831684655311 (1.20276e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027831163738792 (6.48888e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8027830991936692 (2.14008e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8027830866479162 (1.56278e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027830797597423 (8.58037e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8027830760515255 (4.6192e-07% change) linmin: converged after 9 iterations. iteration 24: trace = 0.8027830736191423 (3.02994e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8027830724307873 (1.48029e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8027830717575404 (8.38641e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8027830715079984 (3.10846e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8027830713939041 (1.42123e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8027830713270425 (8.32873e-09% change) linmin: converged after 14 iterations. iteration 30: trace = 0.8027830712989859 (3.49493e-09% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8027830712879676 (1.37251e-09% change) linmin: converged after 16 iterations. iteration 32: trace = 0.8027830712796187 (1.03999e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8027830712735203 (7.5965e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027830712713143 (2.74796e-10% change) linmin: converged after 6 iterations. iteration 35: trace = 0.8027830712698051 (1.88001e-10% change) linmin: converged after 15 iterations. iteration 36: trace = 0.802783071268766 (1.29432e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8027830712683004 (5.80017e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 elapsed time for k point: 0.12223982810974121 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8068179225889665 (1.29517% change) linmin: converged after 3 iterations. iteration 2: trace = 0.804832588193017 (0.246373% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8042872136604009 (0.0677854% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8036249724599602 (0.0823728% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8032567356252627 (0.0458325% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8029920196650826 (0.0329608% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8028887415049023 (0.0128625% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028182815775591 (0.00877619% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8027780187785131 (0.00501531% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8027521710407273 (0.00321984% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8027359476526511 (0.00202099% change) linmin: converged after 4 iterations. iteration 12: trace = 0.802727982914457 (0.000992204% change) linmin: converged after 3 iterations. iteration 13: trace = 0.802723880114383 (0.000511108% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8027211420985967 (0.000341091% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8027191516384169 (0.000247964% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027176224959517 (0.000190496% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8027166889701804 (0.000116296% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8027162103596907 (5.96239e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027159091591477 (3.75227e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8027158068781748 (1.27419e-05% change) linmin: converged after 10 iterations. iteration 21: trace = 0.8027157420448225 (8.07675e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 0.802715709343627 (4.07382e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8027156963901343 (1.61371e-06% change) linmin: converged after 25 iterations. iteration 24: trace = 0.8027156897719367 (8.24476e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8027156870140796 (3.43566e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8027156854301956 (1.97316e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027156847538376 (8.42587e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8027156842766868 (5.94421e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8027156840251561 (3.1335e-08% change) linmin: converged after 31 iterations. iteration 30: trace = 0.8027156839051044 (1.49557e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8027156838537041 (6.4033e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8027156838186872 (4.3623e-09% change) linmin: converged after 13 iterations. iteration 33: trace = 0.8027156837999538 (2.33375e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027156837942571 (7.09688e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8027156837904597 (4.7307e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8027156837880036 (3.05966e-10% change) linmin: converged after 7 iterations. iteration 37: trace = 0.8027156837870213 (1.22375e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8027156837865843 (5.44382e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 elapsed time for k point: 0.1258692741394043 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8155294376424663 (1.37094% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8138776522734583 (0.202747% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8133742935541981 (0.0618661% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8126556331426072 (0.0883945% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8121871670633984 (0.0576629% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8117923023583824 (0.0486293% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8116108115438246 (0.0223593% change) linmin: converged after 6 iterations. iteration 8: trace = 0.8114739977375731 (0.0168585% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8113791011440841 (0.011695% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8113085750803738 (0.0086925% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8112504355246271 (0.0071664% change) linmin: converged after 4 iterations. iteration 12: trace = 0.811211066717463 (0.00485297% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8111826254010386 (0.00350609% change) linmin: converged after 5 iterations. iteration 14: trace = 0.8111593523668564 (0.00286907% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8111444357100662 (0.00183895% change) linmin: converged after 4 iterations. iteration 16: trace = 0.811135444413941 (0.00110848% change) linmin: converged after 5 iterations. iteration 17: trace = 0.8111316026057794 (0.000473634% change) linmin: converged after 3 iterations. iteration 18: trace = 0.811130187145684 (0.000174505% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8111293526274589 (0.000102883% change) linmin: converged after 5 iterations. iteration 20: trace = 0.8111290114631691 (4.20604e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8111287652725712 (3.03516e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8111286057812008 (1.96629e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8111285234429321 (1.01511e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8111284687546958 (6.74224e-06% change) linmin: converged after 12 iterations. iteration 25: trace = 0.8111284433478234 (3.13229e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8111284222032065 (2.60681e-06% change) linmin: converged after 7 iterations. iteration 27: trace = 0.8111284113560745 (1.33729e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8111284028317195 (1.05093e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8111283987915656 (4.98091e-07% change) linmin: converged after 9 iterations. iteration 30: trace = 0.8111283967889734 (2.4689e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8111283955216915 (1.56237e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8111283948185323 (8.6689e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8111283945321676 (3.53045e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8111283944066422 (1.54754e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8111283943165297 (1.11095e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8111283942752676 (5.087e-09% change) linmin: converged after 19 iterations. iteration 37: trace = 0.8111283942632421 (1.48256e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8111283942557568 (9.22831e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8111283942508334 (6.06981e-10% change) linmin: converged after 9 iterations. iteration 40: trace = 0.8111283942481876 (3.26184e-10% change) linmin: converged after 16 iterations. iteration 41: trace = 0.81112839424681 (1.69833e-10% change) linmin: converged after 6 iterations. iteration 42: trace = 0.811128394246043 (9.45662e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 elapsed time for k point: 0.1389455795288086 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8290563269388784 (1.5156% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8273550264785751 (0.20542% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8266224782205577 (0.0885802% change) large trace change predicted (0.193434%) linmin: converged after 4 iterations. iteration 4: trace = 0.8250101629050859 (0.195239% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8239463222377366 (0.129032% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8228610425306505 (0.131804% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8221978507147034 (0.0806283% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8216235802290914 (0.0698702% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8211054695681614 (0.0630793% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8206083191293649 (0.0605648% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8201236287664798 (0.0590822% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8197787982981481 (0.042055% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8195406353236169 (0.0290563% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8193469211861539 (0.0236397% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8192379771359951 (0.0132973% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8191817953726388 (0.00685804% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8191490570081135 (0.00399655% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8191307360021227 (0.00223662% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8191110855888374 (0.00239896% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8190994002107381 (0.0014266% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8190864754428578 (0.00157794% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8190800027292462 (0.000790239% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8190771103947635 (0.000353121% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8190748139325353 (0.000280372% change) linmin: converged after 5 iterations. iteration 25: trace = 0.8190737905148722 (0.000124948% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8190729885719623 (9.79086e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 0.8190726416048181 (4.2361e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8190724446469992 (2.40464e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8190723634326225 (9.91541e-06% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8190723223059518 (5.02113e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 0.819072293636266 (3.50026e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8190722799506965 (1.67086e-06% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8190722717209697 (1.00476e-06% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8190722641678607 (9.22154e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8190722569175918 (8.85181e-07% change) linmin: converged after 20 iterations. iteration 36: trace = 0.819072252398658 (5.51714e-07% change) linmin: converged after 18 iterations. iteration 37: trace = 0.8190722470126064 (6.5758e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8190722404773362 (7.97887e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8190722358112694 (5.69677e-07% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8190722327134291 (3.78213e-07% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8190722304560935 (2.75597e-07% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8190722291582522 (1.58453e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 0.8190722281638675 (1.21404e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8190722275599085 (7.3737e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 0.8190722273229317 (2.89323e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8190722271693935 (1.87454e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 0.8190722271071573 (7.59838e-09% change) linmin: converged after 10 iterations. iteration 48: trace = 0.8190722270707893 (4.44015e-09% change) linmin: converged after 14 iterations. iteration 49: trace = 0.8190722270585126 (1.49886e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 0.8190722270528337 (6.93333e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 0.8190722270495949 (3.95416e-10% change) linmin: converged after 2 iterations. iteration 52: trace = 0.8190722270481852 (1.72117e-10% change) linmin: converged after 2 iterations. iteration 53: trace = 0.8190722270474002 (9.58313e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 elapsed time for k point: 0.17524957656860352 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8318723245698361 (3.13082% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8276838458231727 (0.504771% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8250719751639439 (0.316062% change) large trace change predicted (0.829962%) linmin: converged after 5 iterations. iteration 4: trace = 0.8181500821756009 (0.842478% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8146308841822318 (0.431068% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8121449348964213 (0.305629% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8110067055704764 (0.140249% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8102662668394681 (0.0913404% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8097637147394906 (0.0620423% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8094608758573285 (0.0374054% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8092619572238918 (0.0245772% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8091489869963024 (0.0139606% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8090914838523688 (0.00710687% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8090524495611096 (0.00482458% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8090299048314704 (0.0027866% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8090196961708989 (0.00126185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8090149532580024 (0.000586256% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8090133783585416 (0.000194669% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8090122091828419 (0.000144519% change) linmin: converged after 3 iterations. iteration 20: trace = 0.809011746549078 (5.7185e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 0.8090114311733304 (3.89828e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8090112622133518 (2.08847e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8090112032213227 (7.29187e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8090111645767121 (4.77677e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8090111496273182 (1.84786e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8090111376871478 (1.4759e-06% change) linmin: converged after 10 iterations. iteration 27: trace = 0.8090111299481263 (9.56603e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8090111234591612 (8.02086e-07% change) linmin: converged after 17 iterations. iteration 29: trace = 0.8090111190077983 (5.50223e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8090111160067402 (3.70954e-07% change) linmin: converged after 11 iterations. iteration 31: trace = 0.8090111140715618 (2.39203e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.809011112840562 (1.52161e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8090111123538603 (6.01601e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8090111120761603 (3.43259e-08% change) linmin: converged after 25 iterations. iteration 35: trace = 0.809011111827572 (3.07274e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8090111117288276 (1.22056e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8090111116923977 (4.50301e-09% change) linmin: converged after 5 iterations. iteration 38: trace = 0.8090111116668663 (3.15587e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8090111116513794 (1.91431e-09% change) linmin: converged after 6 iterations. iteration 40: trace = 0.8090111116440928 (9.00682e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8090111116401751 (4.84251e-10% change) linmin: converged after 8 iterations. iteration 42: trace = 0.8090111116384469 (2.13629e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8090111116376205 (1.02142e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8090111116370096 (7.55188e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 elapsed time for k point: 0.14687013626098633 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8171851170997577 (2.82615% change) linmin: converged after 4 iterations. iteration 2: trace = 0.813918027365284 (0.400599% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8130234308008992 (0.109973% change) linmin: converged after 4 iterations. iteration 4: trace = 0.811581624060812 (0.177496% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8108367043900603 (0.0918283% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8104212308344327 (0.0512532% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8102651075147203 (0.0192663% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8101854245831392 (0.00983466% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8101424830515994 (0.00530035% change) linmin: converged after 3 iterations. iteration 10: trace = 0.810120944553498 (0.00265864% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8101107143717293 (0.0012628% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8101053670865769 (0.000660071% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8101033097483941 (0.00025396% change) linmin: converged after 2 iterations. iteration 14: trace = 0.8101024191779366 (0.000109933% change) linmin: converged after 2 iterations. iteration 15: trace = 0.8101019341435778 (5.98732e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8101016896360236 (3.01823e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8101015590582973 (1.61187e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8101015104593604 (5.99912e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101014866005619 (2.94516e-06% change) linmin: converged after 8 iterations. iteration 20: trace = 0.8101014766732865 (1.22544e-06% change) linmin: converged after 24 iterations. iteration 21: trace = 0.8101014719162717 (5.87212e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101014694525338 (3.04127e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8101014680412485 (1.74211e-07% change) linmin: converged after 8 iterations. iteration 24: trace = 0.8101014671897425 (1.05111e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8101014666458735 (6.71359e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 0.810101466366896 (3.44374e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8101014662654042 (1.25283e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8101014662094285 (6.90972e-09% change) linmin: converged after 5 iterations. iteration 29: trace = 0.8101014661850829 (3.00524e-09% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8101014661721252 (1.59952e-09% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8101014661683199 (4.6973e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8101014661663739 (2.40217e-10% change) linmin: converged after 6 iterations. iteration 33: trace = 0.8101014661650519 (1.63196e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8101014661646312 (5.19273e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 elapsed time for k point: 0.11390280723571777 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8384802898748622 (2.88371% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8342584911066918 (0.504777% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8324378232300615 (0.218476% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8292138799100831 (0.388041% change) linmin: converged after 4 iterations. iteration 5: trace = 0.827322253232385 (0.228383% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8262867608253194 (0.12524% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8257462495266317 (0.0654359% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8254198265357116 (0.0395385% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8251898663616859 (0.0278637% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8250606384828725 (0.0156616% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8249885908464112 (0.00873279% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8249476216823384 (0.00496615% change) linmin: converged after 4 iterations. iteration 13: trace = 0.824928537065068 (0.00231346% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8249170794087202 (0.00138894% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8249097450566565 (0.000889106% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8249057647163063 (0.000482519% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8249036821750686 (0.000252458% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8249026994258288 (0.000119135% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8249021282724944 (6.92389e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8249018605074976 (3.24602e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8249016803447531 (2.18405e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8249015845869494 (1.16084e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8249015344706885 (6.07542e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8249015089280831 (3.09644e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8249014948902105 (1.70176e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8249014886144899 (7.60784e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.82490148538737 (3.91213e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8249014836509996 (2.10494e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8249014827636327 (1.07572e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.824901482377576 (4.68003e-08% change) linmin: converged after 26 iterations. iteration 31: trace = 0.8249014822007916 (2.1431e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8249014820905052 (1.33697e-08% change) linmin: converged after 6 iterations. iteration 33: trace = 0.8249014820217433 (8.33577e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8249014819930203 (3.48199e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8249014819693666 (2.86745e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.824901481953957 (1.86806e-09% change) linmin: converged after 22 iterations. iteration 37: trace = 0.8249014819460342 (9.60451e-10% change) linmin: converged after 16 iterations. iteration 38: trace = 0.8249014819420621 (4.81517e-10% change) linmin: converged after 13 iterations. iteration 39: trace = 0.8249014819395273 (3.07293e-10% change) linmin: converged after 18 iterations. iteration 40: trace = 0.8249014819380525 (1.78787e-10% change) linmin: converged after 16 iterations. iteration 41: trace = 0.8249014819373073 (9.03358e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 elapsed time for k point: 0.17943549156188965 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8480483504579561 (3.58198% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8430089126034128 (0.59601% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8384490944510825 (0.542365% change) linmin: converged after 6 iterations. iteration 4: trace = 0.833504242190635 (0.591506% change) linmin: converged after 6 iterations. iteration 5: trace = 0.8312006937664944 (0.276752% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8303345713220793 (0.104256% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8298720782409875 (0.0557151% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8296438183420806 (0.0275092% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8295035920716755 (0.0169034% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8294292605779823 (0.00896136% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8293938184228468 (0.00427317% change) linmin: converged after 3 iterations. iteration 12: trace = 0.829375645803089 (0.0021911% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8293681148786946 (0.000908027% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8293644321962761 (0.000444036% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8293622462035651 (0.000263575% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8293611088425483 (0.000137137% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8293605063723064 (7.26427e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8293602062722002 (3.61845e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8293600606222393 (1.75617e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8293599788560098 (9.85895e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8293599294100369 (5.96194e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8293598981795791 (3.76561e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 0.829359881782837 (1.97704e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8293598714059198 (1.2512e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8293598655872598 (7.01584e-07% change) linmin: converged after 12 iterations. iteration 26: trace = 0.8293598628133533 (3.34464e-07% change) linmin: converged after 21 iterations. iteration 27: trace = 0.8293598612781719 (1.85104e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8293598604061101 (1.05149e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8293598600266698 (4.5751e-08% change) linmin: converged after 22 iterations. iteration 30: trace = 0.8293598598808711 (1.75797e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.829359859814782 (7.96869e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8293598597813747 (4.02808e-09% change) linmin: converged after 11 iterations. iteration 33: trace = 0.8293598597669902 (1.73441e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8293598597619849 (6.03517e-10% change) linmin: converged after 16 iterations. iteration 35: trace = 0.8293598597589518 (3.65719e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 0.829359859757155 (2.16647e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8293598597560852 (1.28992e-10% change) linmin: converged after 20 iterations. iteration 38: trace = 0.8293598597555056 (6.98776e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 elapsed time for k point: 0.13454079627990723 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8480940244309446 (1.69227% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8419235022329321 (0.730232% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8394087479197274 (0.299138% change) linmin: converged after 4 iterations. iteration 4: trace = 0.836466267239855 (0.351158% change) linmin: converged after 4 iterations. iteration 5: trace = 0.834672354538319 (0.214693% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8334606568479985 (0.145276% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8328462065781603 (0.07375% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8325101793123081 (0.040355% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8322457691396173 (0.0317656% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8321412516982053 (0.0125593% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8320852115237597 (0.00673468% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8320477512855995 (0.00450207% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8320325851853662 (0.00182276% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8320268694258969 (0.000686966% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8320236470047006 (0.000387298% change) linmin: converged after 4 iterations. iteration 16: trace = 0.832022038583722 (0.000193315% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8320210664606004 (0.000116839% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8320206058344797 (5.53623e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8320203906623702 (2.58614e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8320202605730955 (1.56353e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8320201840423708 (9.19818e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.83202013794228 (5.54074e-06% change) linmin: converged after 7 iterations. iteration 23: trace = 0.8320200998172953 (4.58222e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8320200739733764 (3.10617e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8320200654921726 (1.01935e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8320200619872656 (4.21253e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8320200597339977 (2.70819e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.832020058365486 (1.64481e-07% change) linmin: converged after 19 iterations. iteration 29: trace = 0.8320200576761879 (8.28463e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8320200574763272 (2.40211e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8320200573161726 (1.92489e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320200572338544 (9.89377e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.832020057197676 (4.34826e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8320200571735461 (2.90016e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8320200571592896 (1.71348e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8320200571525682 (8.07841e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200571484559 (4.94251e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8320200571461505 (2.77095e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 0.8320200571449834 (1.40269e-10% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200571443123 (8.06627e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 ..elapsed time for k point: 0.08919405937194824 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024688 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.23061915826414672 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.21696776954474586 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855384 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.3008564830839497 at Vector3<0.5, 0.0, 0.0> to 0.3651152537651722 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.30714983400393553 at Vector3<0.5, 0.5, 0.0> to 0.38531636177147244 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259549 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.34953853766123844 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230428 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011085 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.477306572259159 at Vector3<0.5, 0.5, 0.0> total elapsed time for run: 2.1706135272979736 done /tmp/meepREy4kN/test_anisotropic_2d_gap-0: 2.17s /tmp/meepREy4kN/test_attribute_accessors-0 ======================== /tmp/meepREy4kN/test_attribute_accessors-0: 0.00s /tmp/meepREy4kN/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 1e+20, height 0.25, axis (1, 0, 0) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.0001926422119140625 solve_kpoint (0.5,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 1 to 8... near maximum in trace linmin: converged after 20 iterations. iteration 1: trace = 27.80144625027669 (180.5% change) linmin: converged after 8 iterations. iteration 2: trace = 19.82418800010011 (33.4999% change) linmin: converged after 7 iterations. iteration 3: trace = 18.80241114661619 (5.29053% change) linmin: converged after 5 iterations. iteration 4: trace = 18.64391851982911 (0.846506% change) linmin: converged after 8 iterations. switching to approximate line minimization (decrease time by 50.4425%) iteration 5: trace = 18.63017324216899 (0.0737524% change) switching back to exact line minimization iteration 6: trace = 18.62916003756401 (0.00543866% change) linmin: converged after 4 iterations. iteration 7: trace = 18.62909545219934 (0.00034669% change) linmin: converged after 4 iterations. iteration 8: trace = 18.62908848536587 (3.73976e-05% change) linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 53.0769%) iteration 9: trace = 18.62908777888122 (3.79237e-06% change) iteration 10: trace = 18.62908770028848 (4.21882e-07% change) iteration 11: trace = 18.62908769516048 (2.75269e-08% change) iteration 12: trace = 18.62908769491559 (1.31455e-09% change) iteration 13: trace = 18.62908769491733 (9.32561e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 elapsed time for k point: 0.00171661376953125 total elapsed time for run: 0.001983165740966797 done Fixing h-field (band 8) phase by 0.909537 + -0.415623i; max ampl. = 1.96664 .Outputting fields to /tmp/meepREy4kN/test_bragg-0-h.k01.b08.y.tm.h5... /tmp/meepREy4kN/test_bragg-0: 0.01s /tmp/meepREy4kN/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 11 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.05, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.15000000000000002, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.25, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.35000000000000003, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.45, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.003194093704223633 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 19 iterations. iteration 1: trace = 17.30275056401984 (175.314% change) linmin: converged after 8 iterations. iteration 2: trace = 11.9760373863671 (36.3862% change) linmin: converged after 6 iterations. iteration 3: trace = 11.17691626013078 (6.90297% change) linmin: converged after 5 iterations. iteration 4: trace = 11.08896486917231 (0.79001% change) linmin: converged after 6 iterations. iteration 5: trace = 11.08297661618686 (0.0540165% change) linmin: converged after 8 iterations. iteration 6: trace = 11.08249596622674 (0.00433692% change) linmin: converged after 5 iterations. iteration 7: trace = 11.08219937792676 (0.00267622% change) large trace change predicted (0.0167811%) linmin: converged after 6 iterations. iteration 8: trace = 11.08038974001353 (0.0163306% change) large trace change predicted (0.0812502%) linmin: converged after 8 iterations. iteration 9: trace = 11.07305304217878 (0.0662353% change) linmin: converged after 5 iterations. iteration 10: trace = 11.07180721242442 (0.0112516% change) linmin: converged after 7 iterations. iteration 11: trace = 11.07168890779527 (0.00106853% change) linmin: converged after 6 iterations. iteration 12: trace = 11.07167968197878 (8.3328e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 11.07167908240041 (5.41542e-06% change) linmin: converged after 10 iterations. switching to approximate line minimization (decrease time by 53.6082%) iteration 14: trace = 11.07167889420393 (1.6998e-06% change) iteration 15: trace = 11.0716779976237 (8.09796e-06% change) iteration 16: trace = 11.07167518719081 (2.5384e-05% change) iteration 17: trace = 11.07167456093305 (5.6564e-06% change) iteration 18: trace = 11.07167451845902 (3.83628e-07% change) iteration 19: trace = 11.0716745146709 (3.42145e-08% change) iteration 20: trace = 11.07167451443016 (2.17438e-09% change) iteration 21: trace = 11.0716745143937 (3.29274e-10% change) iteration 22: trace = 11.07167451429858 (8.59181e-10% change) iteration 23: trace = 11.07167451395079 (3.14127e-09% change) iteration 24: trace = 11.07167451360991 (3.07881e-09% change) iteration 25: trace = 11.07167451351465 (8.60384e-10% change) iteration 26: trace = 11.07167451350871 (5.36837e-11% change) Finished solving for bands 2 to 8 after 26 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991 elapsed time for k point: 0.002496004104614258 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 11.04205589335819 (0.320414% change) linmin: converged after 11 iterations. switching to approximate line minimization (decrease time by 54.8872%) iteration 2: trace = 11.02779351867074 (0.129248% change) iteration 3: trace = 11.02770475042544 (0.000804953% change) switching back to exact line minimization large trace change predicted (0.0932951%) linmin: converged after 10 iterations. iteration 4: trace = 11.01806746706182 (0.0874298% change) linmin: converged after 6 iterations. iteration 5: trace = 11.01664404674312 (0.0129198% change) linmin: converged after 7 iterations. iteration 6: trace = 11.01540354927172 (0.0112608% change) linmin: converged after 8 iterations. iteration 7: trace = 11.01433928375019 (0.00966208% change) linmin: converged after 7 iterations. iteration 8: trace = 11.01352665863151 (0.00737816% change) linmin: converged after 6 iterations. iteration 9: trace = 11.01297368604901 (0.00502098% change) linmin: converged after 6 iterations. iteration 10: trace = 11.01260367498397 (0.00335983% change) linmin: converged after 7 iterations. iteration 11: trace = 11.01234600828291 (0.00233977% change) linmin: converged after 7 iterations. iteration 12: trace = 11.01215736521394 (0.00171303% change) linmin: converged after 5 iterations. iteration 13: trace = 11.01201270994144 (0.0013136% change) linmin: converged after 5 iterations. iteration 14: trace = 11.01189720798149 (0.00104888% change) linmin: converged after 6 iterations. iteration 15: trace = 11.01180164458289 (0.000867823% change) linmin: converged after 6 iterations. iteration 16: trace = 11.01172002227122 (0.000741229% change) linmin: converged after 5 iterations. iteration 17: trace = 11.01164825313236 (0.000651754% change) linmin: converged after 5 iterations. iteration 18: trace = 11.01158341982805 (0.000588772% change) linmin: converged after 5 iterations. iteration 19: trace = 11.01152333759738 (0.000545629% change) linmin: converged after 5 iterations. iteration 20: trace = 11.01146628263761 (0.00051814% change) linmin: converged after 5 iterations. iteration 21: trace = 11.01141081766347 (0.000503703% change) linmin: converged after 5 iterations. iteration 22: trace = 11.01135567480688 (0.00050078% change) linmin: converged after 5 iterations. iteration 23: trace = 11.01129967373822 (0.000508577% change) linmin: converged after 5 iterations. iteration 24: trace = 11.01124166425714 (0.000526819% change) linmin: converged after 7 iterations. iteration 25: trace = 11.01118048582044 (0.000555601% change) linmin: converged after 5 iterations. iteration 26: trace = 11.01111494136685 (0.000595255% change) linmin: converged after 5 iterations. iteration 27: trace = 11.01104378715495 (0.000646206% change) linmin: converged after 5 iterations. iteration 28: trace = 11.01096573549305 (0.000708851% change) linmin: converged after 5 iterations. iteration 29: trace = 11.01087947554889 (0.000783403% change) linmin: converged after 6 iterations. iteration 30: trace = 11.01078370865238 (0.000869752% change) linmin: converged after 6 iterations. iteration 31: trace = 11.01067719511959 (0.000967361% change) linmin: converged after 7 iterations. iteration 32: trace = 11.0105588184778 (0.00107511% change) linmin: converged after 6 iterations. iteration 33: trace = 11.01042763386273 (0.00119145% change) linmin: converged after 5 iterations. iteration 34: trace = 11.0102829332154 (0.00131422% change) linmin: converged after 7 iterations. iteration 35: trace = 11.01012428690288 (0.0014409% change) linmin: converged after 7 iterations. iteration 36: trace = 11.00995166081934 (0.0015679% change) linmin: converged after 6 iterations. iteration 37: trace = 11.00976540309208 (0.00169174% change) linmin: converged after 7 iterations. iteration 38: trace = 11.0095663406236 (0.00180807% change) linmin: converged after 5 iterations. iteration 39: trace = 11.00935597949786 (0.00191073% change) linmin: converged after 6 iterations. iteration 40: trace = 11.00913645340698 (0.00199402% change) linmin: converged after 5 iterations. iteration 41: trace = 11.00891053152842 (0.00205215% change) linmin: converged after 8 iterations. iteration 42: trace = 11.00868145429236 (0.00208086% change) linmin: converged after 6 iterations. iteration 43: trace = 11.00845263388484 (0.00207857% change) linmin: converged after 5 iterations. iteration 44: trace = 11.00822723038049 (0.00204757% change) linmin: converged after 8 iterations. iteration 45: trace = 11.00800786328904 (0.00199278% change) linmin: converged after 6 iterations. iteration 46: trace = 11.00779643783161 (0.00192067% change) linmin: converged after 5 iterations. iteration 47: trace = 11.00759390248773 (0.00183994% change) linmin: converged after 6 iterations. iteration 48: trace = 11.00740071738865 (0.00175503% change) linmin: converged after 5 iterations. iteration 49: trace = 11.00721679634582 (0.0016709% change) linmin: converged after 7 iterations. iteration 50: trace = 11.00704174241288 (0.00159037% change) linmin: converged after 6 iterations. iteration 51: trace = 11.00687501456139 (0.00151475% change) linmin: converged after 5 iterations. iteration 52: trace = 11.00671594221069 (0.00144522% change) linmin: converged after 5 iterations. iteration 53: trace = 11.0065639269633 (0.00138112% change) linmin: converged after 6 iterations. iteration 54: trace = 11.00641839206615 (0.00132226% change) linmin: converged after 6 iterations. iteration 55: trace = 11.00627882365528 (0.00126807% change) linmin: converged after 6 iterations. iteration 56: trace = 11.00614477805909 (0.00121791% change) linmin: converged after 5 iterations. iteration 57: trace = 11.00601589002765 (0.00117106% change) linmin: converged after 6 iterations. iteration 58: trace = 11.00589182996989 (0.00112721% change) linmin: converged after 5 iterations. iteration 59: trace = 11.00577235804738 (0.00108553% change) linmin: converged after 6 iterations. iteration 60: trace = 11.00565724990092 (0.00104589% change) linmin: converged after 5 iterations. iteration 61: trace = 11.0055463444867 (0.00100772% change) linmin: converged after 5 iterations. iteration 62: trace = 11.00543948448586 (0.00097097% change) linmin: converged after 5 iterations. iteration 63: trace = 11.00533654887428 (0.00093532% change) linmin: converged after 6 iterations. iteration 64: trace = 11.00523742354759 (0.000900706% change) linmin: converged after 5 iterations. iteration 65: trace = 11.00514200366712 (0.000867044% change) linmin: converged after 5 iterations. iteration 66: trace = 11.00505018069374 (0.000834368% change) linmin: converged after 5 iterations. iteration 67: trace = 11.00496184504172 (0.000802686% change) linmin: converged after 7 iterations. iteration 68: trace = 11.00487689134744 (0.000771961% change) linmin: converged after 5 iterations. iteration 69: trace = 11.00479520018456 (0.000742321% change) resetting CG direction... large trace change predicted (0.115539%) linmin: converged after 7 iterations. iteration 70: trace = 10.99202103429551 (0.116146% change) linmin: converged after 6 iterations. iteration 71: trace = 10.99062236117629 (0.0127252% change) linmin: converged after 8 iterations. iteration 72: trace = 10.98948431511006 (0.0103552% change) linmin: converged after 6 iterations. iteration 73: trace = 10.98818648561436 (0.0118104% change) linmin: converged after 5 iterations. iteration 74: trace = 10.98802559188107 (0.00146425% change) linmin: converged after 4 iterations. iteration 75: trace = 10.98801515639975 (9.49714e-05% change) linmin: converged after 5 iterations. iteration 76: trace = 10.98801412705257 (9.36791e-06% change) linmin: converged after 5 iterations. iteration 77: trace = 10.9880140963765 (2.79178e-07% change) linmin: converged after 4 iterations. iteration 78: trace = 10.98801409322136 (2.87144e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 10.98801409310473 (1.06138e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 10.98801409303983 (5.90652e-10% change) linmin: converged after 4 iterations. iteration 81: trace = 10.98801409311148 (6.5202e-10% change) linmin: converged after 3 iterations. iteration 82: trace = 10.98801409299052 (1.1008e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 10.98801409304876 (5.29996e-10% change) linmin: converged after 4 iterations. iteration 84: trace = 10.98801409304146 (6.64274e-11% change) Finished solving for bands 1 to 8 after 84 iterations. tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778 elapsed time for k point: 0.010358810424804688 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 10.90376046824373 (0.00793522% change) linmin: converged after 4 iterations. iteration 2: trace = 10.90359830907354 (0.0014872% change) linmin: converged after 3 iterations. iteration 3: trace = 10.90350960463483 (0.000813537% change) linmin: converged after 7 iterations. iteration 4: trace = 10.90345230354924 (0.00052553% change) linmin: converged after 4 iterations. iteration 5: trace = 10.90344655289567 (5.27416e-05% change) linmin: converged after 5 iterations. iteration 6: trace = 10.90344608445378 (4.29627e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.90344604871542 (3.27771e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.9034460473527 (1.24981e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 10.9034460473056 (4.31926e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 10.90344604730442 (1.08829e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 elapsed time for k point: 0.0012481212615966797 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.82874318743302 (0.00713648% change) linmin: converged after 3 iterations. iteration 2: trace = 10.82865179048751 (0.000844025% change) linmin: converged after 4 iterations. iteration 3: trace = 10.8286391456429 (0.000116772% change) linmin: converged after 5 iterations. iteration 4: trace = 10.82863201430636 (6.58563e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.82863047384795 (1.42258e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 10.82863033630219 (1.2702e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11044e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.82863032376797 (4.70661e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.8286303237533 (1.35499e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 10.82863032375297 (3.01838e-12% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 elapsed time for k point: 0.001234292984008789 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.76383414066022 (0.00702665% change) linmin: converged after 4 iterations. iteration 2: trace = 10.76375283235569 (0.000755387% change) linmin: converged after 4 iterations. iteration 3: trace = 10.76374658323256 (5.80571e-05% change) linmin: converged after 5 iterations. iteration 4: trace = 10.76374528581931 (1.20535e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.76374486740369 (3.88727e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 10.76374482182858 (4.23413e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.76374481723281 (4.26968e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.76374481699878 (2.17426e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.76374481699274 (5.60942e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 5, 0.2, 0, 0, 0.2, 0.0934195, 0.40505, 0.612091, 0.907101, 1.10696, 1.40468, 1.6041, 1.90311 elapsed time for k point: 0.0011258125305175781 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.70890918978214 (0.00701169% change) linmin: converged after 4 iterations. iteration 2: trace = 10.70883098425239 (0.000730287% change) linmin: converged after 5 iterations. iteration 3: trace = 10.70882611989432 (4.54238e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.70882574797966 (3.47297e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.70882564389908 (9.71914e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.70882562792913 (1.54008e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.70882562781417 (1.07346e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.70882562781128 (2.70049e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 elapsed time for k point: 0.0010974407196044922 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.66396644581557 (0.00701938% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6638895643872 (0.000720948% change) linmin: converged after 6 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.66388497807411 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762052 (3.59533e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 10.66388494718304 (4.10246e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 10.66388494713199 (4.78709e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.66388494713049 (1.40424e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533 elapsed time for k point: 0.0011038780212402344 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.62900860023464 (0.00703179% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6289323953069 (0.000716955% change) linmin: converged after 5 iterations. iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.62892805633392 (1.18399e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71056e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.62892804604186 (9.72507e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.62892804597542 (6.2508e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.62892804596423 (1.05255e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.62892804596352 (6.73513e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 elapsed time for k point: 0.0011067390441894531 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) linmin: converged after 4 iterations. iteration 2: trace = 10.60396176516587 (0.000715115% change) linmin: converged after 5 iterations. iteration 3: trace = 10.6039576473093 (3.88332e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.60395754101094 (1.00244e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.60395753615697 (4.57751e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.60395753572879 (4.03789e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.60395753570917 (1.85074e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.6039575357088 (3.45088e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 elapsed time for k point: 0.0009756088256835938 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58905458874505 (0.00704958% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58897895638373 (0.000714253% change) linmin: converged after 6 iterations. iteration 3: trace = 10.58897488550179 (3.84445e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58897478737543 (9.26684e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58897478401991 (3.16888e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58897478378886 (2.18198e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58897478377235 (1.55962e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.58897478377204 (2.91894e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885 elapsed time for k point: 0.0009868144989013672 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58406017889885 (0.00705116% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58398461985988 (0.000713897% change) linmin: converged after 4 iterations. iteration 3: trace = 10.58398056403726 (3.83204e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58398046806651 (9.06755e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58398046509703 (2.80564e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58398046493152 (1.56375e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58398046491724 (1.34939e-10% change) linmin: converged after 1 iterations. iteration 8: trace = 10.58398046491708 (1.51051e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 .elapsed time for k point: 0.000980377197265625 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0> Band 2 range: 0.30640302623084414 at Vector3<0.5, 0.0, 0.0> to 0.46877485258675194 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5466257501316379 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541639 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7842615905093814 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437461 at Vector3<0.0, 0.0, 0.0> Band 5 range: 1.0240548648146843 at Vector3<0.0, 0.0, 0.0> to 1.244098004202587 at Vector3<0.5, 0.0, 0.0> Band 6 range: 1.2666566861855073 at Vector3<0.5, 0.0, 0.0> to 1.4970379696966398 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.5115800994652084 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910488 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.7581683208483643 at Vector3<0.5, 0.0, 0.0> to 1.9999072006824996 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.19477466366820304) to band 2 (0.30640302623084414), 44.54642128428603% Gap from band 2 (0.46877485258675194) to band 3 (0.5466257501316379), 15.334026262436064% Gap from band 3 (0.7316504426541639) to band 4 (0.7842615905093814), 6.941187444158442% Gap from band 4 (0.9893486155437461) to band 5 (1.0240548648146843), 3.447520540171089% Gap from band 5 (1.244098004202587) to band 6 (1.2666566861855073), 1.7969642410133866% Gap from band 6 (1.4970379696966398) to band 7 (1.5115800994652084), 0.9666982936534588% Gap from band 7 (1.7488359039910488) to band 8 (1.7581683208483643), 0.532215889060857% total elapsed time for run: 0.026332616806030273 done /tmp/meepREy4kN/test_bragg_sine-0: 0.03s /tmp/meepREy4kN/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013759136199951172 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13987517356872559 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.38936829566955566 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08549952507019043 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07878398895263672 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09137463569641113 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14194917678833008 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1075735092163086 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09147453308105469 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07884502410888672 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07537364959716797 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07522726058959961 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05997800827026367 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06982231140136719 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09552383422851562 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1119992733001709 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24841690063476562 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9436283111572266 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 ./tmp/meepREy4kN/test_compute_field_energy-0: 1.95s /tmp/meepREy4kN/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013675689697265625 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13994526863098145 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.38962674140930176 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08596229553222656 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07942986488342285 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09197187423706055 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14279747009277344 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10819196701049805 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09180068969726562 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07904696464538574 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07551264762878418 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07552361488342285 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05986976623535156 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.069793701171875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09536457061767578 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11194705963134766 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.24610400199890137 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.945453405380249 done /tmp/meepREy4kN/test_compute_group_velocity-0: 1.95s /tmp/meepREy4kN/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013387203216552734 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1388390064239502 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3877885341644287 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.0856177806854248 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.0786747932434082 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09120583534240723 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1421186923980713 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10784125328063965 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09154748916625977 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0791773796081543 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07544088363647461 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07529950141906738 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05964827537536621 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.069122314453125 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09441494941711426 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11073946952819824 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24553847312927246 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9355273246765137 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099 ./tmp/meepREy4kN/test_compute_integrals-0: 1.94s /tmp/meepREy4kN/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 16 x 16 x 16. Solving for 5 bands at a time. Creating Maxwell data... Mesh size is 5. Lattice vectors: (0, 0.5, 0.5) (0.5, 0, 0.5) (0.5, 0.5, 0) Cell volume = 0.25 Reciprocal lattice vectors (/ 2 pi): (-1, 1, 1) (1, -1, 1) (1, 1, -1) Geometric objects: sphere, center = (0.125,0.125,0.125) radius 0.25 sphere, center = (-0.125,-0.125,-0.125) radius 0.25 Geometric object tree has depth 4 and 35 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 31 k-points Vector3<0.0, 0.5, 0.5> Vector3<0.0, 0.525, 0.475> Vector3<0.0, 0.55, 0.45> Vector3<0.0, 0.575, 0.425> Vector3<0.0, 0.6, 0.4> Vector3<0.0, 0.625, 0.375> Vector3<0.0, 0.6, 0.3> Vector3<0.0, 0.575, 0.225> Vector3<0.0, 0.55, 0.15000000000000002> Vector3<0.0, 0.525, 0.07500000000000001> Vector3<0.0, 0.5, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.3, 0.0> Vector3<0.0, 0.19999999999999996, 0.0> Vector3<0.0, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.1> Vector3<0.0, 0.2, 0.2> Vector3<0.0, 0.30000000000000004, 0.30000000000000004> Vector3<0.0, 0.4, 0.4> Vector3<0.0, 0.5, 0.5> Vector3<0.05, 0.55, 0.5> Vector3<0.1, 0.6, 0.5> Vector3<0.15000000000000002, 0.65, 0.5> Vector3<0.2, 0.7, 0.5> Vector3<0.25, 0.75, 0.5> Vector3<0.275, 0.75, 0.475> Vector3<0.3, 0.75, 0.45> Vector3<0.325, 0.75, 0.425> Vector3<0.35, 0.75, 0.4> Vector3<0.375, 0.75, 0.375> elapsed time for initialization: 0.020632505416870117 solve_kpoint (0,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5 Solving for bands 1 to 5... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 7.793809388876734 (194.671% change) linmin: converged after 8 iterations. iteration 2: trace = 1.602644292878233 (131.777% change) linmin: converged after 5 iterations. iteration 3: trace = 1.230444137489674 (26.2752% change) linmin: converged after 7 iterations. iteration 4: trace = 1.145863323821901 (7.11868% change) linmin: converged after 7 iterations. iteration 5: trace = 1.108732460474563 (3.29379% change) linmin: converged after 5 iterations. iteration 6: trace = 1.095242895867568 (1.22411% change) linmin: converged after 5 iterations. iteration 7: trace = 1.086567900224123 (0.795211% change) linmin: converged after 5 iterations. iteration 8: trace = 1.082571254980187 (0.368501% change) linmin: converged after 5 iterations. iteration 9: trace = 1.079681031773776 (0.267335% change) linmin: converged after 5 iterations. iteration 10: trace = 1.07784196185811 (0.17048% change) linmin: converged after 5 iterations. iteration 11: trace = 1.07658971866119 (0.116248% change) linmin: converged after 5 iterations. iteration 12: trace = 1.075741300120796 (0.0788372% change) linmin: converged after 5 iterations. iteration 13: trace = 1.075332005396717 (0.0380549% change) linmin: converged after 4 iterations. iteration 14: trace = 1.075088183570877 (0.0226767% change) linmin: converged after 4 iterations. iteration 15: trace = 1.074991682595675 (0.0089765% change) linmin: converged after 4 iterations. iteration 16: trace = 1.074947859516338 (0.00407668% change) linmin: converged after 4 iterations. iteration 17: trace = 1.074928276104173 (0.00182182% change) linmin: converged after 8 iterations. iteration 18: trace = 1.074920023198566 (0.000767766% change) linmin: converged after 5 iterations. iteration 19: trace = 1.074915815055662 (0.000391485% change) linmin: converged after 5 iterations. iteration 20: trace = 1.074913897245545 (0.000178415% change) linmin: converged after 5 iterations. iteration 21: trace = 1.074912797130558 (0.000102345% change) linmin: converged after 5 iterations. iteration 22: trace = 1.074912135440156 (6.15576e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.074911682476406 (4.21396e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.074911185373714 (4.62459e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.074910350283009 (7.76893e-05% change) large trace change predicted (0.000205026%) linmin: converged after 5 iterations. iteration 26: trace = 1.074908146483132 (0.000205022% change) large trace change predicted (0.000513652%) linmin: converged after 5 iterations. iteration 27: trace = 1.07490262826197 (0.000513368% change) linmin: converged after 5 iterations. iteration 28: trace = 1.074894274699342 (0.000777149% change) linmin: converged after 5 iterations. iteration 29: trace = 1.074885559310737 (0.000810817% change) linmin: converged after 6 iterations. iteration 30: trace = 1.074878751252922 (0.000633377% change) linmin: converged after 7 iterations. iteration 31: trace = 1.074871979340896 (0.000630018% change) linmin: converged after 6 iterations. iteration 32: trace = 1.074864290595143 (0.00071532% change) linmin: converged after 4 iterations. iteration 33: trace = 1.074857335705497 (0.00064705% change) linmin: converged after 4 iterations. iteration 34: trace = 1.074852611926326 (0.000439481% change) linmin: converged after 4 iterations. iteration 35: trace = 1.074850531090792 (0.000193593% change) linmin: converged after 4 iterations. iteration 36: trace = 1.074849707707753 (7.66045e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074849401321547 (2.8505e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 1.074849273654745 (1.18776e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 1.074849202666278 (6.6045e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.074849166432867 (3.37102e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.074849150238921 (1.50662e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 1.074849143715029 (6.06959e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 1.074849140933313 (2.58801e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 1.074849139366316 (1.45788e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.074849138485003 (8.19942e-08% change) linmin: converged after 4 iterations. iteration 46: trace = 1.074849138034085 (4.19517e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.074849137805405 (2.12755e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 1.074849137683515 (1.13402e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 1.074849137606227 (7.19065e-09% change) linmin: converged after 2 iterations. iteration 50: trace = 1.074849137561233 (4.18604e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.074849137540571 (1.92229e-09% change) linmin: converged after 3 iterations. iteration 52: trace = 1.074849137533237 (6.82361e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 1.074849137531041 (2.04289e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 1.074849137530269 (7.18493e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.38392066955566406 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.075858895003848 (0.603183% change) linmin: converged after 5 iterations. iteration 2: trace = 1.073482649228938 (0.221114% change) linmin: converged after 4 iterations. iteration 3: trace = 1.072517250925701 (0.0899719% change) linmin: converged after 4 iterations. iteration 4: trace = 1.07226731835112 (0.0233061% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072198684379732 (0.00640103% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072184614555412 (0.00131225% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072176813446787 (0.000727593% change) linmin: converged after 6 iterations. iteration 8: trace = 1.072174588825062 (0.000207487% change) linmin: converged after 5 iterations. iteration 9: trace = 1.072173275829781 (0.000122461% change) linmin: converged after 5 iterations. iteration 10: trace = 1.072172792730832 (4.50579e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072172507137298 (2.66369e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.072172093455102 (3.85836e-05% change) linmin: converged after 13 iterations. iteration 13: trace = 1.072171277805736 (7.60745e-05% change) large trace change predicted (0.000180553%) linmin: converged after 5 iterations. iteration 14: trace = 1.072169342022187 (0.000180548% change) linmin: converged after 16 iterations. iteration 15: trace = 1.072167408079079 (0.000180377% change) linmin: converged after 6 iterations. iteration 16: trace = 1.072166456174473 (8.87832e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.072165970166683 (4.53295e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072165682214035 (2.68571e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.072165408274992 (2.55501e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 1.072165207652325 (1.87119e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 1.07216510367804 (9.6976e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 1.072165061729352 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.072165050577685 (1.04011e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.072165047945189 (2.45531e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.072165047308095 (5.94212e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.072165047160103 (1.38031e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.072165047103967 (5.2358e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.07216504707559 (2.64669e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.072165047058603 (1.58435e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 1.072165047048055 (9.83784e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 1.072165047042511 (5.17065e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 1.072165047039758 (2.56782e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 1.07216504703864 (1.04254e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 1.072165047038117 (4.88547e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 elapsed time for k point: 0.24228334426879883 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.068440466045205 (0.573523% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066480807479963 (0.183581% change) linmin: converged after 4 iterations. iteration 3: trace = 1.065774667547763 (0.0662341% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065585967274126 (0.017707% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065530753732716 (0.00518165% change) linmin: converged after 4 iterations. iteration 6: trace = 1.065516120758966 (0.00137331% change) linmin: converged after 5 iterations. iteration 7: trace = 1.065506870654358 (0.000868137% change) linmin: converged after 3 iterations. iteration 8: trace = 1.065504384713838 (0.000233311% change) linmin: converged after 18 iterations. iteration 9: trace = 1.065503073473254 (0.000123063% change) linmin: converged after 2 iterations. iteration 10: trace = 1.065502572123757 (4.70529e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 1.065502157725804 (3.88923e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.06550155124787 (5.69195e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.065500878596151 (6.31301e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.065500247906648 (5.91919e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.065499909234968 (3.17852e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.065499690826473 (2.04982e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.065499506928749 (1.72593e-05% change) linmin: converged after 20 iterations. iteration 18: trace = 1.065499383728922 (1.15626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.065499315698634 (6.38483e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.065499294220984 (2.01574e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.065499288548681 (5.32361e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.065499287022425 (1.43243e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.065499286677926 (3.23321e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.065499286595517 (7.73437e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.065499286570307 (2.36595e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.065499286559613 (1.00371e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 1.065499286551562 (7.5564e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.065499286546965 (4.31377e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.0654992865453 (1.56254e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.06549928654484 (4.31794e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 elapsed time for k point: 0.21468138694763184 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.059540504499355 (0.530657% change) linmin: converged after 4 iterations. iteration 2: trace = 1.05798354916432 (0.147054% change) linmin: converged after 4 iterations. iteration 3: trace = 1.057502090064032 (0.0455176% change) linmin: converged after 4 iterations. iteration 4: trace = 1.057358559154869 (0.0135736% change) linmin: converged after 4 iterations. iteration 5: trace = 1.057314691601922 (0.00414887% change) linmin: converged after 4 iterations. iteration 6: trace = 1.057300876214259 (0.00130666% change) linmin: converged after 5 iterations. iteration 7: trace = 1.057292723699835 (0.000771072% change) linmin: converged after 4 iterations. iteration 8: trace = 1.057291059110143 (0.000157439% change) linmin: converged after 3 iterations. iteration 9: trace = 1.057290409951241 (6.13983e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.057290221445181 (1.78292e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.057290112028999 (1.03487e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.057289958936161 (1.44797e-05% change) linmin: converged after 16 iterations. iteration 13: trace = 1.057289789269395 (1.60473e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057289654908358 (1.27081e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.05728960466552 (4.75204e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.057289590705038 (1.3204e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.057289585702304 (4.73166e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057289583780866 (1.81732e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.057289582678028 (1.04308e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.057289582066726 (5.78179e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.05728958183277 (2.21279e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.057289581749869 (7.8409e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 1.057289581718886 (2.93044e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.057289581697566 (2.01644e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057289581676837 (1.96064e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057289581662593 (1.34719e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057289581656746 (5.52964e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.057289581655314 (1.355e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.057289581654965 (3.30141e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 elapsed time for k point: 0.20788311958312988 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051100648814141 (0.506611% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049691285821747 (0.134174% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049314899107921 (0.0358633% change) linmin: converged after 4 iterations. iteration 4: trace = 1.049185433172377 (0.0123389% change) linmin: converged after 4 iterations. iteration 5: trace = 1.049147911038267 (0.00357637% change) linmin: converged after 4 iterations. iteration 6: trace = 1.049135854260348 (0.0011492% change) linmin: converged after 5 iterations. iteration 7: trace = 1.049129471311554 (0.000608402% change) linmin: converged after 3 iterations. iteration 8: trace = 1.049128247387994 (0.000116661% change) linmin: converged after 2 iterations. iteration 9: trace = 1.04912779156954 (4.34474e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.049127676630066 (1.09557e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.049127634485117 (4.01714e-06% change) linmin: converged after 26 iterations. iteration 12: trace = 1.04912759548366 (3.71751e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 1.049127554116296 (3.94303e-06% change) linmin: converged after 22 iterations. iteration 14: trace = 1.049127517065815 (3.53155e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.049127502744468 (1.36507e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.049127499460315 (3.13037e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.049127498551341 (8.66409e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 1.049127498234713 (3.01801e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 1.049127497940215 (2.80708e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 1.049127497468462 (4.49663e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.049127497017252 (4.30081e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 1.049127496798793 (2.0823e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.049127496735693 (6.01448e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 1.049127496715387 (1.93557e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.049127496707381 (7.63051e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 1.049127496704079 (3.14782e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 1.049127496702446 (1.55666e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.049127496701628 (7.79284e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 elapsed time for k point: 0.20057082176208496 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043459216722463 (0.506828% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041988342828767 (0.141061% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041637917013636 (0.0336361% change) linmin: converged after 4 iterations. iteration 4: trace = 1.04150010817998 (0.0132309% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041466538801386 (0.00322323% change) linmin: converged after 4 iterations. iteration 6: trace = 1.041456832909056 (0.000931949% change) linmin: converged after 5 iterations. iteration 7: trace = 1.04145212968613 (0.000451601% change) linmin: converged after 4 iterations. iteration 8: trace = 1.041451113409441 (9.75827e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.041450688275374 (4.08213e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.041450583335705 (1.00763e-05% change) linmin: converged after 15 iterations. iteration 11: trace = 1.04145055102366 (3.1026e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 1.041450527028424 (2.30402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 1.041450494527918 (3.1207e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 1.04145043539497 (5.67794e-06% change) linmin: converged after 7 iterations. iteration 15: trace = 1.041450384495773 (4.88734e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.041450353324324 (2.99308e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.041450318415118 (3.35198e-06% change) linmin: converged after 23 iterations. iteration 18: trace = 1.041450255970096 (5.99597e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.041450142733959 (1.08729e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 1.041450060666096 (7.88015e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.041450032793385 (2.67634e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.041450025149674 (7.33949e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.041450023239037 (1.83459e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04145002251745 (6.92867e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.041450022090024 (4.10414e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.04145002159701 (4.73392e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.041450020726602 (8.35766e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.041450019065773 (1.59473e-07% change) large trace change predicted (4.189e-07%) linmin: converged after 2 iterations. iteration 29: trace = 1.04145001470314 (4.189e-07% change) large trace change predicted (1.19651e-06%) linmin: converged after 16 iterations. iteration 30: trace = 1.041450002242192 (1.1965e-06% change) large trace change predicted (3.27802e-06%) linmin: converged after 3 iterations. iteration 31: trace = 1.04144996810502 (3.27785e-06% change) large trace change predicted (7.60992e-06%) linmin: converged after 3 iterations. iteration 32: trace = 1.041449888872006 (7.60795e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 1.041449762143182 (1.21685e-05% change) linmin: converged after 8 iterations. iteration 34: trace = 1.041449617733145 (1.38663e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 1.041449518800372 (9.49953e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 1.041449483215252 (3.41688e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 1.041449473025162 (9.78453e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 1.041449470385734 (2.53438e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 1.041449469588867 (7.65151e-08% change) linmin: converged after 20 iterations. iteration 40: trace = 1.041449469287295 (2.8957e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 1.041449469189142 (9.42459e-09% change) linmin: converged after 10 iterations. iteration 42: trace = 1.041449469160062 (2.79229e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 1.04144946915253 (7.23263e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 1.04144946915032 (2.12205e-10% change) linmin: converged after 2 iterations. iteration 45: trace = 1.041449469149446 (8.38971e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 elapsed time for k point: 0.3193798065185547 Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b01.h5... D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b02.h5... D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b03.h5... D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.039665448918141 (2.28714% change) linmin: converged after 5 iterations. iteration 2: trace = 1.03126174447369 (0.811589% change) linmin: converged after 5 iterations. iteration 3: trace = 1.027058258259599 (0.408439% change) linmin: converged after 5 iterations. iteration 4: trace = 1.020314522193447 (0.65877% change) linmin: converged after 4 iterations. iteration 5: trace = 1.016895452943936 (0.335662% change) linmin: converged after 4 iterations. iteration 6: trace = 1.013850701572565 (0.299865% change) linmin: converged after 4 iterations. iteration 7: trace = 1.012826541833987 (0.101068% change) linmin: converged after 3 iterations. iteration 8: trace = 1.012456630988233 (0.0365293% change) linmin: converged after 3 iterations. iteration 9: trace = 1.012302653572539 (0.0152095% change) linmin: converged after 3 iterations. iteration 10: trace = 1.012263470101499 (0.0038708% change) linmin: converged after 4 iterations. iteration 11: trace = 1.012248751191856 (0.00145407% change) linmin: converged after 4 iterations. iteration 12: trace = 1.012243323298405 (0.000536223% change) linmin: converged after 6 iterations. iteration 13: trace = 1.012239242815871 (0.000403114% change) linmin: converged after 4 iterations. iteration 14: trace = 1.012234289032094 (0.00048939% change) linmin: converged after 5 iterations. iteration 15: trace = 1.012226176757293 (0.000801426% change) linmin: converged after 5 iterations. iteration 16: trace = 1.012212339553813 (0.00136702% change) linmin: converged after 7 iterations. iteration 17: trace = 1.012198494702927 (0.00136779% change) linmin: converged after 6 iterations. iteration 18: trace = 1.012188204927564 (0.00101658% change) linmin: converged after 5 iterations. iteration 19: trace = 1.012182979177564 (0.000516284% change) linmin: converged after 5 iterations. iteration 20: trace = 1.012180431891034 (0.000251663% change) linmin: converged after 4 iterations. iteration 21: trace = 1.012179050266534 (0.0001365% change) linmin: converged after 5 iterations. iteration 22: trace = 1.012178436832588 (6.06053e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.012178138308118 (2.94933e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 1.012178008609885 (1.28138e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 1.012177948013927 (5.98669e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 1.012177914414934 (3.31947e-06% change) linmin: converged after 3 iterations. iteration 27: trace = 1.012177899398552 (1.48357e-06% change) linmin: converged after 6 iterations. iteration 28: trace = 1.012177891703032 (7.60293e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.012177888011668 (3.64695e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 1.012177886482547 (1.51072e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.012177885943443 (5.32618e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.012177885797334 (1.44352e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 1.012177885757129 (3.97212e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.012177885742624 (1.43305e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 1.01217788573651 (6.04e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 1.012177885733493 (2.98062e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 1.012177885731931 (1.54285e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 1.01217788573071 (1.20677e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.012177885728822 (1.86489e-10% change) large trace change predicted (3.79806e-10%) linmin: converged after 3 iterations. iteration 40: trace = 1.012177885724983 (3.7934e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.012177885719431 (5.48542e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 1.012177885715906 (3.48233e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 1.012177885714417 (1.47068e-10% change) linmin: converged after 6 iterations. iteration 44: trace = 1.012177885713607 (8.00492e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 elapsed time for k point: 0.31374406814575195 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9915573055188105 (2.26017% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9866607516796273 (0.495047% change) linmin: converged after 4 iterations. iteration 3: trace = 0.985915134572086 (0.0755983% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9856473004079666 (0.0271697% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9855722861007572 (0.00761095% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9855592500247952 (0.0013227% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9855531508569249 (0.000618855% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9855520633527013 (0.000110345% change) linmin: converged after 6 iterations. iteration 9: trace = 0.9855516310521106 (4.38638e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9855514450622063 (1.88717e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.9855513230133151 (1.23838e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9855511986808408 (1.26155e-05% change) linmin: converged after 14 iterations. iteration 13: trace = 0.9855510508800431 (1.49968e-05% change) large trace change predicted (3.62683e-05%) linmin: converged after 4 iterations. iteration 14: trace = 0.9855506934425549 (3.62678e-05% change) large trace change predicted (0.000117862%) linmin: converged after 3 iterations. iteration 15: trace = 0.9855495321097341 (0.000117836% change) large trace change predicted (0.00166434%) linmin: converged after 7 iterations. iteration 16: trace = 0.9855348565844813 (0.00148908% change) near maximum in trace linmin: converged after 10 iterations. iteration 17: trace = 0.9854855136907122 (0.00500684% change) linmin: converged after 6 iterations. iteration 18: trace = 0.9854692412137787 (0.00165123% change) linmin: converged after 4 iterations. iteration 19: trace = 0.9854542312192751 (0.00152314% change) linmin: converged after 5 iterations. iteration 20: trace = 0.9854392662898253 (0.00151859% change) linmin: converged after 4 iterations. iteration 21: trace = 0.9854239738374098 (0.00155185% change) linmin: converged after 5 iterations. iteration 22: trace = 0.9854083703854308 (0.00158344% change) linmin: converged after 7 iterations. iteration 23: trace = 0.9853925763868612 (0.0016028% change) linmin: converged after 6 iterations. iteration 24: trace = 0.9853765755222155 (0.00162382% change) linmin: converged after 4 iterations. iteration 25: trace = 0.9853601724904575 (0.00166466% change) linmin: converged after 6 iterations. iteration 26: trace = 0.9853431529185689 (0.00172726% change) linmin: converged after 6 iterations. iteration 27: trace = 0.9853255062152675 (0.00179094% change) linmin: converged after 4 iterations. iteration 28: trace = 0.9853075669332334 (0.00182066% change) linmin: converged after 4 iterations. iteration 29: trace = 0.9852899530731823 (0.00178767% change) linmin: converged after 4 iterations. iteration 30: trace = 0.9852733064681282 (0.00168953% change) linmin: converged after 4 iterations. iteration 31: trace = 0.9852580378801779 (0.00154969% change) linmin: converged after 4 iterations. iteration 32: trace = 0.9852442584665031 (0.00139857% change) linmin: converged after 4 iterations. iteration 33: trace = 0.9852318665432616 (0.00125776% change) linmin: converged after 4 iterations. iteration 34: trace = 0.9852206658413795 (0.00113687% change) linmin: converged after 4 iterations. iteration 35: trace = 0.9852104475657839 (0.00103716% change) linmin: converged after 4 iterations. iteration 36: trace = 0.985201030587406 (0.000955839% change) linmin: converged after 4 iterations. iteration 37: trace = 0.9851922745104321 (0.000888764% change) linmin: converged after 6 iterations. iteration 38: trace = 0.985184078898952 (0.000831883% change) linmin: converged after 4 iterations. iteration 39: trace = 0.9851763765317376 (0.000781823% change) linmin: converged after 5 iterations. iteration 40: trace = 0.9851691247369359 (0.000736094% change) linmin: converged after 4 iterations. iteration 41: trace = 0.9851622968634405 (0.000693069% change) linmin: converged after 5 iterations. iteration 42: trace = 0.9851558749686684 (0.000651864% change) linmin: converged after 4 iterations. iteration 43: trace = 0.9851498442474425 (0.000612161% change) linmin: converged after 5 iterations. iteration 44: trace = 0.9851441893299313 (0.000574018% change) linmin: converged after 7 iterations. iteration 45: trace = 0.9851388922795947 (0.000537694% change) linmin: converged after 5 iterations. iteration 46: trace = 0.9851339319745713 (0.000503515% change) linmin: converged after 6 iterations. iteration 47: trace = 0.9851292842174566 (0.00047179% change) linmin: converged after 6 iterations. iteration 48: trace = 0.9851249227544374 (0.000442731% change) linmin: converged after 5 iterations. iteration 49: trace = 0.9851208201354336 (0.000416458% change) linmin: converged after 6 iterations. iteration 50: trace = 0.985116948670044 (0.000392995% change) linmin: converged after 6 iterations. iteration 51: trace = 0.9851132814158994 (0.000372267% change) linmin: converged after 4 iterations. iteration 52: trace = 0.985109792752574 (0.000354139% change) linmin: converged after 6 iterations. iteration 53: trace = 0.9851064589339564 (0.000338422% change) linmin: converged after 4 iterations. iteration 54: trace = 0.985103258433947 (0.000324889% change) linmin: converged after 5 iterations. iteration 55: trace = 0.9851001721178921 (0.000313299% change) linmin: converged after 6 iterations. iteration 56: trace = 0.9850971833422346 (0.000303399% change) linmin: converged after 6 iterations. iteration 57: trace = 0.9850942779612889 (0.000294934% change) linmin: converged after 5 iterations. iteration 58: trace = 0.9850914442739287 (0.000287657% change) linmin: converged after 6 iterations. iteration 59: trace = 0.9850886728973864 (0.000281332% change) linmin: converged after 8 iterations. iteration 60: trace = 0.9850859566438679 (0.000275737% change) linmin: converged after 3 iterations. iteration 61: trace = 0.985083290302922 (0.000270671% change) linmin: converged after 5 iterations. iteration 62: trace = 0.9850806704322035 (0.000265955% change) linmin: converged after 6 iterations. iteration 63: trace = 0.9850780951153988 (0.000261432% change) linmin: converged after 5 iterations. iteration 64: trace = 0.9850755636853383 (0.000256978% change) linmin: converged after 7 iterations. iteration 65: trace = 0.9850730764535367 (0.000252492% change) linmin: converged after 6 iterations. iteration 66: trace = 0.9850706344229587 (0.000247904% change) linmin: converged after 5 iterations. iteration 67: trace = 0.9850682390428733 (0.000243169% change) linmin: converged after 5 iterations. iteration 68: trace = 0.9850658919478763 (0.000238268% change) linmin: converged after 6 iterations. iteration 69: trace = 0.9850635947572814 (0.000233202% change) resetting CG direction... large trace change predicted (0.0412898%) linmin: converged after 4 iterations. iteration 70: trace = 0.9846563226321232 (0.0413533% change) linmin: converged after 4 iterations. iteration 71: trace = 0.9844601744110943 (0.0199225% change) linmin: converged after 4 iterations. iteration 72: trace = 0.9843700908035093 (0.00915098% change) linmin: converged after 5 iterations. iteration 73: trace = 0.9843454544632328 (0.00250278% change) linmin: converged after 5 iterations. iteration 74: trace = 0.9843309741800621 (0.00147107% change) linmin: converged after 3 iterations. iteration 75: trace = 0.9843269360335394 (0.000410244% change) linmin: converged after 3 iterations. iteration 76: trace = 0.984325925508553 (0.000102662% change) linmin: converged after 3 iterations. iteration 77: trace = 0.9843252602722731 (6.7583e-05% change) linmin: converged after 9 iterations. iteration 78: trace = 0.9843249585532741 (3.06524e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 0.984324827002671 (1.33646e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 0.9843247642174826 (6.3785e-06% change) linmin: converged after 21 iterations. iteration 81: trace = 0.9843247334142549 (3.12938e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 0.9843247239633147 (9.60145e-07% change) linmin: converged after 4 iterations. iteration 83: trace = 0.9843247200132017 (4.01302e-07% change) linmin: converged after 4 iterations. iteration 84: trace = 0.9843247177623149 (2.28673e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 0.9843247140412077 (3.78037e-07% change) large trace change predicted (8.17026e-07%) linmin: converged after 4 iterations. iteration 86: trace = 0.9843247059989855 (8.17029e-07% change) large trace change predicted (1.83753e-06%) linmin: converged after 4 iterations. iteration 87: trace = 0.9843246879119369 (1.83751e-06% change) linmin: converged after 3 iterations. iteration 88: trace = 0.9843246566951747 (3.17139e-06% change) linmin: converged after 15 iterations. iteration 89: trace = 0.9843246205606317 (3.671e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 0.9843246064917273 (1.4293e-06% change) linmin: converged after 5 iterations. iteration 91: trace = 0.9843246017421499 (4.82521e-07% change) linmin: converged after 3 iterations. iteration 92: trace = 0.9843246002813074 (1.48411e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 0.9843245999240422 (3.62955e-08% change) linmin: converged after 3 iterations. iteration 94: trace = 0.9843245998040482 (1.21905e-08% change) linmin: converged after 4 iterations. iteration 95: trace = 0.9843245997561223 (4.86891e-09% change) linmin: converged after 3 iterations. iteration 96: trace = 0.9843245997430943 (1.32355e-09% change) linmin: converged after 4 iterations. iteration 97: trace = 0.9843245997404594 (2.67685e-10% change) linmin: converged after 5 iterations. iteration 98: trace = 0.9843245997396673 (8.04646e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 elapsed time for k point: 0.6914100646972656 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9646769163082063 (2.39738% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9596027655498416 (0.527382% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9585165712859467 (0.113256% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9579432893176263 (0.0598272% change) linmin: converged after 4 iterations. iteration 5: trace = 0.957753478271237 (0.0198164% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9577044743110649 (0.00511668% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9576786087113478 (0.00270083% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9576698781006379 (0.000911647% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9576629132448566 (0.000727274% change) linmin: converged after 6 iterations. iteration 10: trace = 0.9576596029412843 (0.000345665% change) linmin: converged after 4 iterations. iteration 11: trace = 0.9576578418244525 (0.000183898% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9576568119851189 (0.000107537% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9576563729712588 (4.58425e-05% change) linmin: converged after 19 iterations. iteration 14: trace = 0.9576561629432221 (2.19315e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9576560823100085 (8.41985e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9576560023094209 (8.35379e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 0.9576558845381139 (1.22979e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.9576557606446515 (1.29372e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.9576556898706394 (7.39034e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9576556668427911 (2.40461e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9576556603473727 (6.78262e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.957655658603465 (1.82102e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9576556582296492 (3.90345e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.9576556581384016 (9.52822e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9576556581169053 (2.24467e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.9576556581121123 (5.00499e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.9576556581107218 (1.45192e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.9576556581103823 (3.54518e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 elapsed time for k point: 0.20156121253967285 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9479336872150527 (2.3896% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9430867597778365 (0.512626% change) linmin: converged after 4 iterations. iteration 3: trace = 0.941981873965237 (0.117225% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9413709083882282 (0.0648806% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9411784896544571 (0.0204424% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9411437673764198 (0.0036893% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9411282197691544 (0.001652% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9411228844482352 (0.000566909% change) linmin: converged after 7 iterations. iteration 9: trace = 0.941117722411677 (0.000548499% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9411142194231239 (0.000372216% change) linmin: converged after 6 iterations. iteration 11: trace = 0.9411125302492718 (0.000179487% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9411116700164435 (9.1406e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9411114151351252 (2.7083e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.941111312557934 (1.08996e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9411112840457978 (3.02962e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9411112731925684 (1.15324e-06% change) linmin: converged after 26 iterations. iteration 17: trace = 0.9411112675855979 (5.95782e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 0.9411112644312605 (3.35172e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9411112620729626 (2.50587e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9411112600571808 (2.14192e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9411112586302771 (1.51619e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9411112579896637 (6.80699e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.941111257817919 (1.82491e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9411112577748142 (4.58021e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.9411112577644222 (1.10423e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.941111257762292 (2.26348e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 0.9411112577617193 (6.08486e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 elapsed time for k point: 0.19347071647644043 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9431496225335785 (2.3985% change) linmin: converged after 5 iterations. iteration 2: trace = 0.9380796204968544 (0.539009% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9367721035397323 (0.13948% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9359917825716043 (0.0833336% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9357711657243539 (0.0235732% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9357390464145803 (0.00343245% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9357282065214862 (0.00115844% change) linmin: converged after 4 iterations. iteration 8: trace = 0.935726090656777 (0.00022612% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9357251462394749 (0.000100929% change) linmin: converged after 2 iterations. iteration 10: trace = 0.9357245153926679 (6.7418e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 0.935724118685711 (4.23957e-05% change) linmin: converged after 17 iterations. iteration 12: trace = 0.9357237683382605 (3.74413e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9357236170895014 (1.61638e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9357235495974339 (7.21282e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9357235309444131 (1.99343e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9357235256266005 (5.6831e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9357235236195143 (2.14496e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9357235229374928 (7.28871e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9357235227208449 (2.3153e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9357235226594707 (6.55901e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9357235226426122 (1.80166e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9357235226371357 (5.8527e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9357235226350287 (2.25171e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9357235226340201 (1.0778e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 0.9357235226332373 (8.36591e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 elapsed time for k point: 0.1791853904724121 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9531656172626821 (2.95521% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9465651869298922 (0.694881% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9460975825933921 (0.0494123% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9458503027170811 (0.0261402% change) linmin: converged after 3 iterations. iteration 5: trace = 0.9458090123516516 (0.00436552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9457956329513351 (0.00141461% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9457917144910897 (0.000414304% change) linmin: converged after 3 iterations. iteration 8: trace = 0.9457908288630771 (9.36388e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 0.9457904833985004 (3.65265e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 0.9457903738934191 (1.15782e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 0.9457903287956915 (4.76826e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 0.9457903098667371 (2.00139e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.945790300833286 (9.55122e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9457902938373184 (7.39695e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9457902889826169 (5.13296e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9457902856358911 (3.53855e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9457902842649593 (1.44951e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9457902838788874 (4.082e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9457902837821091 (1.02325e-08% change) linmin: converged after 6 iterations. iteration 20: trace = 0.9457902837614061 (2.18896e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.9457902837571451 (4.50515e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 0.9457902837561455 (1.05694e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.945790283755921 (2.37354e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 elapsed time for k point: 0.16534924507141113 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9838330564819231 (2.82864% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9767698261618407 (0.720516% change) linmin: converged after 3 iterations. iteration 3: trace = 0.975990834248063 (0.0797837% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9754521141782281 (0.0552125% change) linmin: converged after 4 iterations. iteration 5: trace = 0.975343923966862 (0.0110919% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9752879087036856 (0.00574329% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9752720379978688 (0.0016273% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9752675452795285 (0.000460664% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9752661173620061 (0.000146413% change) linmin: converged after 3 iterations. iteration 10: trace = 0.9752657982804043 (3.27174e-05% change) linmin: converged after 8 iterations. iteration 11: trace = 0.9752656737712461 (1.27667e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.975265598656986 (7.70193e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 0.9752655199382996 (8.07151e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 0.975265458605133 (6.28887e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9752654363667408 (2.28024e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 0.9752654288851366 (7.67135e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9752654270617361 (1.86965e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9752654266193436 (4.53612e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9752654264923916 (1.30172e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9752654264573508 (3.59294e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.9752654264468741 (1.07424e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9752654264434993 (3.46033e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9752654264424245 (1.10207e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9752654264419814 (4.54328e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 elapsed time for k point: 0.17235398292541504 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.031310457525339 (2.74381% change) linmin: converged after 4 iterations. iteration 2: trace = 1.023001395901209 (0.808939% change) linmin: converged after 4 iterations. iteration 3: trace = 1.020944596104372 (0.201258% change) linmin: converged after 5 iterations. iteration 4: trace = 1.019196682336968 (0.171352% change) linmin: converged after 4 iterations. iteration 5: trace = 1.018718077778314 (0.04697% change) linmin: converged after 3 iterations. iteration 6: trace = 1.018308274746612 (0.0402354% change) linmin: converged after 4 iterations. iteration 7: trace = 1.018176585208324 (0.012933% change) linmin: converged after 4 iterations. iteration 8: trace = 1.018122381585613 (0.00532374% change) linmin: converged after 3 iterations. iteration 9: trace = 1.018108141501955 (0.00139867% change) linmin: converged after 3 iterations. iteration 10: trace = 1.01810468837719 (0.000339171% change) linmin: converged after 4 iterations. iteration 11: trace = 1.018103724639192 (9.46601e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 1.018103471304881 (2.4883e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.018103337799628 (1.31131e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.018103254441739 (8.18757e-06% change) linmin: converged after 17 iterations. iteration 15: trace = 1.018103204661031 (4.88955e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 1.018103175566654 (2.8577e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.018103161363209 (1.39509e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 1.018103152357129 (8.84594e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.018103147246914 (5.01935e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.018103144530303 (2.66831e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 1.018103143433503 (1.0773e-07% change) linmin: converged after 16 iterations. iteration 22: trace = 1.018103143020116 (4.06036e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.018103142868816 (1.4861e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 1.018103142826693 (4.13738e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.018103142813693 (1.27687e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 1.018103142809127 (4.48537e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.018103142807081 (2.00889e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.018103142806048 (1.01546e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.018103142805607 (4.32485e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 elapsed time for k point: 0.2075943946838379 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. iteration 1: trace = 1.077079219748294 (2.88237% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066262027914489 (1.00938% change) linmin: converged after 7 iterations. iteration 3: trace = 1.059824264961903 (0.605598% change) linmin: converged after 5 iterations. iteration 4: trace = 1.056454446691333 (0.318466% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055117395208793 (0.12664% change) linmin: converged after 7 iterations. iteration 6: trace = 1.053973327355148 (0.108489% change) linmin: converged after 4 iterations. iteration 7: trace = 1.053442526128483 (0.0503746% change) linmin: converged after 4 iterations. iteration 8: trace = 1.053206381305628 (0.022419% change) linmin: converged after 3 iterations. iteration 9: trace = 1.053116219805339 (0.00856103% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053071769622508 (0.00422091% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053056103815011 (0.00148764% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053047222787794 (0.000843361% change) linmin: converged after 5 iterations. iteration 13: trace = 1.053042139513933 (0.000482722% change) linmin: converged after 5 iterations. iteration 14: trace = 1.053037941123147 (0.000398692% change) linmin: converged after 5 iterations. iteration 15: trace = 1.053035343143514 (0.000246713% change) linmin: converged after 5 iterations. iteration 16: trace = 1.053034079935653 (0.000119959% change) linmin: converged after 5 iterations. iteration 17: trace = 1.053033595937136 (4.59623e-05% change) linmin: converged after 7 iterations. iteration 18: trace = 1.053033362151741 (2.22011e-05% change) linmin: converged after 9 iterations. iteration 19: trace = 1.053033220622987 (1.34401e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 1.053033136180599 (8.01897e-06% change) linmin: converged after 10 iterations. iteration 21: trace = 1.053033092856761 (4.1142e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053033069955637 (2.17478e-06% change) linmin: converged after 20 iterations. iteration 23: trace = 1.053033056567452 (1.27139e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.053033050086778 (6.15429e-07% change) linmin: converged after 7 iterations. iteration 25: trace = 1.053033046929906 (2.99788e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 1.053033045492603 (1.36492e-07% change) linmin: converged after 30 iterations. iteration 27: trace = 1.053033044713362 (7.39996e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.05303304419562 (4.91668e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 1.05303304381155 (3.64727e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 1.05303304357991 (2.19975e-08% change) linmin: converged after 12 iterations. iteration 31: trace = 1.053033043469699 (1.0466e-08% change) linmin: converged after 7 iterations. iteration 32: trace = 1.053033043429301 (3.8363e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 1.0530330434156 (1.3011e-09% change) linmin: converged after 13 iterations. iteration 34: trace = 1.053033043410165 (5.16106e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.053033043407258 (2.7606e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 1.053033043404644 (2.4829e-10% change) linmin: converged after 9 iterations. iteration 37: trace = 1.053033043402348 (2.1801e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.053033043401221 (1.07055e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 1.053033043400877 (3.26625e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 elapsed time for k point: 0.2774796485900879 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.125418509190836 (26.786% change) linmin: converged after 6 iterations. iteration 2: trace = 1.086199374680966 (3.54665% change) linmin: converged after 4 iterations. iteration 3: trace = 1.077433840602779 (0.810261% change) linmin: converged after 5 iterations. iteration 4: trace = 1.070916422402577 (0.606737% change) linmin: converged after 5 iterations. iteration 5: trace = 1.067955177230516 (0.276898% change) linmin: converged after 4 iterations. iteration 6: trace = 1.066404296467224 (0.145325% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065591405105607 (0.0762564% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065169288340976 (0.0396212% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064947504768299 (0.0208236% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064821092340354 (0.011871% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064775779630051 (0.00425552% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064759862322812 (0.00149491% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064754343598675 (0.000518308% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064752586160355 (0.000165056% change) linmin: converged after 6 iterations. iteration 15: trace = 1.06475193418626 (6.12325e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.064751716375277 (2.04565e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064751641473009 (7.03472e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.064751608763356 (3.07205e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.06475159444411 (1.34484e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064751588378962 (5.6963e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064751585065904 (3.11158e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.064751582775834 (2.1508e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.064751581427304 (1.26652e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.064751580863343 (5.29664e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.064751580697916 (1.55367e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064751580656116 (3.92583e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.064751580642665 (1.2633e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.06475158063819 (4.20211e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.064751580636453 (1.63184e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 1.064751580635709 (6.98613e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 elapsed time for k point: 0.11260199546813965 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 9 iterations. iteration 1: trace = 1.083139123993515 (4.15252% change) linmin: converged after 8 iterations. iteration 2: trace = 1.067759464050544 (1.43007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.058743055847533 (0.848004% change) linmin: converged after 4 iterations. iteration 4: trace = 1.055821359692891 (0.27634% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055194292753252 (0.059409% change) linmin: converged after 4 iterations. iteration 6: trace = 1.054515707102696 (0.0643298% change) linmin: converged after 4 iterations. iteration 7: trace = 1.054199358517807 (0.0300039% change) linmin: converged after 4 iterations. iteration 8: trace = 1.054015026128709 (0.0174871% change) linmin: converged after 4 iterations. iteration 9: trace = 1.053945642710522 (0.00658299% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053916462348828 (0.00276872% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053905508373106 (0.00103936% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053902318616982 (0.000302661% change) linmin: converged after 3 iterations. iteration 13: trace = 1.053901410289628 (8.61871e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.053901190385522 (2.08657e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.053901094722907 (9.077e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.053901042329603 (4.97137e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.053901016387587 (2.46152e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.053901002297739 (1.33692e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.053900994619984 (7.28508e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.053900989320632 (5.02832e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053900987123137 (2.08511e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053900986524413 (5.68102e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.053900986366484 (1.49852e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 1.053900986325053 (3.93117e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.053900986310451 (1.38559e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 1.053900986303701 (6.40492e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.053900986300592 (2.94985e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.05390098629891 (1.59575e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 1.0539009862981 (7.6817e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 elapsed time for k point: 0.20766282081604004 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065595398928579 (3.90048% change) linmin: converged after 6 iterations. iteration 2: trace = 1.05545012730131 (0.956629% change) linmin: converged after 4 iterations. iteration 3: trace = 1.052399474005146 (0.289456% change) linmin: converged after 4 iterations. iteration 4: trace = 1.05104742363618 (0.128556% change) linmin: converged after 4 iterations. iteration 5: trace = 1.050891451863719 (0.0148408% change) linmin: converged after 4 iterations. iteration 6: trace = 1.050820039910738 (0.0067956% change) linmin: converged after 4 iterations. iteration 7: trace = 1.050776389407954 (0.00415403% change) linmin: converged after 22 iterations. iteration 8: trace = 1.050735518700124 (0.00388965% change) linmin: converged after 9 iterations. iteration 9: trace = 1.050712406629498 (0.00219963% change) linmin: converged after 5 iterations. iteration 10: trace = 1.050703645182211 (0.000833861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.05070052794763 (0.000296681% change) linmin: converged after 5 iterations. iteration 12: trace = 1.050699532774888 (9.47152e-05% change) linmin: converged after 7 iterations. iteration 13: trace = 1.050699177150718 (3.38464e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.050699067583428 (1.0428e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.050699026853781 (3.87643e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.050699005022337 (2.0778e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.05069898996691 (1.4329e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.050698977063516 (1.22808e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.050698967444914 (9.15448e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.05069896036237 (6.74079e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.050698956757341 (3.43108e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.050698955164584 (1.5159e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.050698954594422 (5.42651e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.050698954368867 (2.14671e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 1.050698954208976 (1.52176e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.050698954069499 (1.32747e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.050698953980485 (8.4719e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.05069895394582 (3.29923e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.050698953935617 (9.71084e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.050698953931685 (3.74182e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.050698953929971 (1.63126e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 1.050698953929234 (7.01406e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 elapsed time for k point: 0.22975993156433105 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.088279540873554 (4.02105% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078010312383157 (0.948094% change) linmin: converged after 3 iterations. iteration 3: trace = 1.076219990626864 (0.166215% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075124540387689 (0.101839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.07488881031914 (0.0219282% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074611210358773 (0.0258293% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074337620664562 (0.0254627% change) linmin: converged after 4 iterations. iteration 8: trace = 1.07413313855772 (0.0190351% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074051063054056 (0.00764138% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074029420989965 (0.00201501% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074020142121589 (0.000863934% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074016815860834 (0.000309702% change) linmin: converged after 5 iterations. iteration 13: trace = 1.074015086574427 (0.000161011% change) linmin: converged after 6 iterations. iteration 14: trace = 1.074014221795601 (8.05183e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.074013421483326 (7.4516e-05% change) large trace change predicted (0.000149807%) linmin: converged after 5 iterations. iteration 16: trace = 1.074011812469476 (0.000149813% change) large trace change predicted (0.000490882%) linmin: converged after 10 iterations. iteration 17: trace = 1.074006542454389 (0.000490686% change) large trace change predicted (0.00906198%) linmin: converged after 6 iterations. iteration 18: trace = 1.073941701043524 (0.00603752% change) large trace change predicted (0.0314784%) linmin: converged after 12 iterations. iteration 19: trace = 1.073871054644488 (0.00657845% change) linmin: converged after 7 iterations. iteration 20: trace = 1.073836865045437 (0.00318382% change) linmin: converged after 4 iterations. iteration 21: trace = 1.073810051812881 (0.00249699% change) linmin: converged after 4 iterations. iteration 22: trace = 1.073786930252984 (0.00215325% change) linmin: converged after 5 iterations. iteration 23: trace = 1.073765951855709 (0.0019537% change) linmin: converged after 4 iterations. iteration 24: trace = 1.073746099954997 (0.00184883% change) linmin: converged after 4 iterations. iteration 25: trace = 1.07372654968384 (0.00182077% change) linmin: converged after 4 iterations. iteration 26: trace = 1.07370665270057 (0.00185309% change) linmin: converged after 4 iterations. iteration 27: trace = 1.073686048065295 (0.00191904% change) linmin: converged after 5 iterations. iteration 28: trace = 1.073664807517757 (0.0019783% change) linmin: converged after 5 iterations. iteration 29: trace = 1.073643487597951 (0.00198573% change) linmin: converged after 4 iterations. iteration 30: trace = 1.073622933050627 (0.00191449% change) linmin: converged after 4 iterations. iteration 31: trace = 1.073603845346755 (0.00177789% change) linmin: converged after 6 iterations. iteration 32: trace = 1.073586422595537 (0.00162284% change) linmin: converged after 5 iterations. iteration 33: trace = 1.073570337616839 (0.00149826% change) linmin: converged after 6 iterations. iteration 34: trace = 1.073554964235346 (0.001432% change) linmin: converged after 4 iterations. iteration 35: trace = 1.07353962913353 (0.00142845% change) linmin: converged after 4 iterations. iteration 36: trace = 1.07352380058229 (0.00147444% change) linmin: converged after 4 iterations. iteration 37: trace = 1.07350721916049 (0.00154459% change) linmin: converged after 4 iterations. iteration 38: trace = 1.073489950025206 (0.00160868% change) linmin: converged after 4 iterations. iteration 39: trace = 1.073472300742344 (0.00164412% change) linmin: converged after 4 iterations. iteration 40: trace = 1.073454608133454 (0.00164818% change) linmin: converged after 4 iterations. iteration 41: trace = 1.073437013942841 (0.00163904% change) linmin: converged after 4 iterations. iteration 42: trace = 1.073419364058392 (0.00164425% change) linmin: converged after 4 iterations. iteration 43: trace = 1.073401253309573 (0.00168722% change) linmin: converged after 4 iterations. iteration 44: trace = 1.073382150317043 (0.00177969% change) linmin: converged after 4 iterations. iteration 45: trace = 1.07336154432539 (0.00191974% change) linmin: converged after 4 iterations. iteration 46: trace = 1.073339086928109 (0.00209227% change) linmin: converged after 4 iterations. iteration 47: trace = 1.073314699937172 (0.00227209% change) linmin: converged after 4 iterations. iteration 48: trace = 1.073288605942993 (0.00243119% change) linmin: converged after 4 iterations. iteration 49: trace = 1.073261255811686 (0.00254829% change) linmin: converged after 4 iterations. iteration 50: trace = 1.073233183714413 (0.00261562% change) linmin: converged after 4 iterations. iteration 51: trace = 1.073204865455954 (0.00263863% change) linmin: converged after 4 iterations. iteration 52: trace = 1.073176643673077 (0.00262971% change) linmin: converged after 4 iterations. iteration 53: trace = 1.073148730865096 (0.00260099% change) linmin: converged after 4 iterations. iteration 54: trace = 1.073121259315561 (0.00255993% change) linmin: converged after 4 iterations. iteration 55: trace = 1.07309433867515 (0.00250866% change) linmin: converged after 5 iterations. iteration 56: trace = 1.073068095131715 (0.00244563% change) linmin: converged after 6 iterations. iteration 57: trace = 1.073042683039002 (0.0023682% change) linmin: converged after 4 iterations. iteration 58: trace = 1.07301827264155 (0.0022749% change) linmin: converged after 4 iterations. iteration 59: trace = 1.072995024705294 (0.00216662% change) linmin: converged after 4 iterations. iteration 60: trace = 1.072973064582972 (0.00204664% change) linmin: converged after 4 iterations. iteration 61: trace = 1.072952465308809 (0.00191985% change) linmin: converged after 4 iterations. iteration 62: trace = 1.072933243744828 (0.00179148% change) linmin: converged after 4 iterations. iteration 63: trace = 1.072915368319464 (0.00166605% change) linmin: converged after 4 iterations. iteration 64: trace = 1.072898773564854 (0.00154671% change) linmin: converged after 4 iterations. iteration 65: trace = 1.072883375990663 (0.00143515% change) linmin: converged after 6 iterations. iteration 66: trace = 1.0728690870667 (0.00133183% change) linmin: converged after 4 iterations. iteration 67: trace = 1.072855821086758 (0.0012365% change) linmin: converged after 5 iterations. iteration 68: trace = 1.072843497615136 (0.00114867% change) linmin: converged after 4 iterations. iteration 69: trace = 1.072832039669942 (0.001068% change) resetting CG direction... large trace change predicted (0.0590982%) linmin: converged after 3 iterations. iteration 70: trace = 1.072198123213173 (0.0591056% change) linmin: converged after 3 iterations. iteration 71: trace = 1.071347118239733 (0.0794016% change) linmin: converged after 5 iterations. iteration 72: trace = 1.070541463028519 (0.0752285% change) linmin: converged after 5 iterations. iteration 73: trace = 1.069893830565265 (0.0605141% change) linmin: converged after 4 iterations. iteration 74: trace = 1.069675879075328 (0.0203734% change) linmin: converged after 4 iterations. iteration 75: trace = 1.069604565077048 (0.0066671% change) linmin: converged after 4 iterations. iteration 76: trace = 1.069582041223729 (0.00210583% change) linmin: converged after 4 iterations. iteration 77: trace = 1.069571765034444 (0.000960771% change) linmin: converged after 3 iterations. iteration 78: trace = 1.069569886835617 (0.000175603% change) linmin: converged after 24 iterations. iteration 79: trace = 1.06956893456843 (8.90328e-05% change) linmin: converged after 4 iterations. iteration 80: trace = 1.069568397381592 (5.02246e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 1.069567984275286 (3.86237e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 1.069567784172026 (1.87088e-05% change) linmin: converged after 10 iterations. iteration 83: trace = 1.069567559606956 (2.09959e-05% change) linmin: converged after 4 iterations. iteration 84: trace = 1.06956739532616 (1.53596e-05% change) linmin: converged after 3 iterations. iteration 85: trace = 1.069567279689921 (1.08115e-05% change) linmin: converged after 7 iterations. iteration 86: trace = 1.069567202427575 (7.2237e-06% change) linmin: converged after 13 iterations. iteration 87: trace = 1.069567123735572 (7.35737e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 1.069566990372406 (1.24689e-05% change) linmin: converged after 4 iterations. iteration 89: trace = 1.069566806435123 (1.71974e-05% change) linmin: converged after 18 iterations. iteration 90: trace = 1.069566611505561 (1.82251e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 1.069566258368391 (3.30169e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 1.069565649811474 (5.68976e-05% change) large trace change predicted (0.000165074%) linmin: converged after 4 iterations. iteration 93: trace = 1.069563887345637 (0.000164783% change) large trace change predicted (0.000584339%) linmin: converged after 6 iterations. iteration 94: trace = 1.069557815178935 (0.000567725% change) large trace change predicted (0.00612923%) linmin: converged after 7 iterations. iteration 95: trace = 1.069531840301829 (0.00242859% change) linmin: converged after 7 iterations. iteration 96: trace = 1.06951158152307 (0.00189419% change) linmin: converged after 7 iterations. iteration 97: trace = 1.06949650195719 (0.00140996% change) linmin: converged after 7 iterations. iteration 98: trace = 1.069483719262493 (0.00119521% change) linmin: converged after 6 iterations. iteration 99: trace = 1.069471280069923 (0.00116311% change) linmin: converged after 5 iterations. iteration 100: trace = 1.069459236278697 (0.00112615% change) linmin: converged after 6 iterations. iteration 101: trace = 1.069448853527677 (0.000970846% change) linmin: converged after 9 iterations. iteration 102: trace = 1.069440425309504 (0.000788093% change) linmin: converged after 6 iterations. iteration 103: trace = 1.069433418690631 (0.000655169% change) linmin: converged after 7 iterations. iteration 104: trace = 1.069427354305229 (0.000567067% change) linmin: converged after 7 iterations. iteration 105: trace = 1.069421994829825 (0.000501155% change) linmin: converged after 7 iterations. iteration 106: trace = 1.06941724042802 (0.000444578% change) linmin: converged after 5 iterations. iteration 107: trace = 1.069413025117769 (0.00039417% change) linmin: converged after 5 iterations. iteration 108: trace = 1.069409275547888 (0.00035062% change) linmin: converged after 8 iterations. iteration 109: trace = 1.069405911972547 (0.000314527% change) linmin: converged after 6 iterations. iteration 110: trace = 1.069402860891335 (0.000285307% change) linmin: converged after 5 iterations. iteration 111: trace = 1.069400062375236 (0.00026169% change) linmin: converged after 7 iterations. iteration 112: trace = 1.069397472713876 (0.00024216% change) linmin: converged after 6 iterations. iteration 113: trace = 1.069395060383547 (0.000225579% change) linmin: converged after 9 iterations. iteration 114: trace = 1.069392801032389 (0.000211274% change) linmin: converged after 8 iterations. iteration 115: trace = 1.069390673738402 (0.000198926% change) linmin: converged after 6 iterations. iteration 116: trace = 1.069388657714768 (0.000188521% change) linmin: converged after 6 iterations. iteration 117: trace = 1.069386731644227 (0.00018011% change) linmin: converged after 5 iterations. iteration 118: trace = 1.069384873730894 (0.000173736% change) linmin: converged after 5 iterations. iteration 119: trace = 1.069383062883039 (0.000169336% change) linmin: converged after 10 iterations. iteration 120: trace = 1.069381280066676 (0.000166715% change) linmin: converged after 7 iterations. iteration 121: trace = 1.069379509487148 (0.000165571% change) linmin: converged after 8 iterations. iteration 122: trace = 1.069377739525456 (0.000165513% change) linmin: converged after 6 iterations. iteration 123: trace = 1.069375963507896 (0.00016608% change) linmin: converged after 10 iterations. iteration 124: trace = 1.069374179731154 (0.000166806% change) linmin: converged after 5 iterations. iteration 125: trace = 1.069372391031961 (0.000167266% change) linmin: converged after 7 iterations. iteration 126: trace = 1.069370603907787 (0.000167119% change) linmin: converged after 10 iterations. iteration 127: trace = 1.069368827217261 (0.000166144% change) linmin: converged after 5 iterations. iteration 128: trace = 1.069367070674866 (0.00016426% change) linmin: converged after 6 iterations. iteration 129: trace = 1.069365343459912 (0.000161518% change) linmin: converged after 6 iterations. iteration 130: trace = 1.069363653232463 (0.000158059% change) linmin: converged after 6 iterations. iteration 131: trace = 1.06936200548704 (0.000154087% change) linmin: converged after 7 iterations. iteration 132: trace = 1.069360403300531 (0.000149827% change) linmin: converged after 14 iterations. iteration 133: trace = 1.069358847548523 (0.000145484% change) linmin: converged after 6 iterations. iteration 134: trace = 1.069357337356084 (0.000141224% change) linmin: converged after 7 iterations. iteration 135: trace = 1.069355870473734 (0.000137174% change) linmin: converged after 6 iterations. iteration 136: trace = 1.069354443947797 (0.000133401% change) linmin: converged after 8 iterations. iteration 137: trace = 1.069353054482242 (0.000129935% change) linmin: converged after 5 iterations. iteration 138: trace = 1.069351698944842 (0.000126762% change) linmin: converged after 8 iterations. iteration 139: trace = 1.069350374574078 (0.000123848% change) resetting CG direction... large trace change predicted (0.014546%) linmin: converged after 4 iterations. iteration 140: trace = 1.069194674078868 (0.0145613% change) linmin: converged after 3 iterations. iteration 141: trace = 1.069117229618983 (0.00724351% change) linmin: converged after 3 iterations. iteration 142: trace = 1.069075435411627 (0.0039093% change) linmin: converged after 4 iterations. iteration 143: trace = 1.069028118000609 (0.00442611% change) linmin: converged after 5 iterations. iteration 144: trace = 1.068963764327453 (0.00602001% change) linmin: converged after 5 iterations. iteration 145: trace = 1.068914031982284 (0.0046525% change) linmin: converged after 7 iterations. iteration 146: trace = 1.06885669529657 (0.00536416% change) linmin: converged after 6 iterations. iteration 147: trace = 1.068800655539407 (0.0052431% change) linmin: converged after 3 iterations. iteration 148: trace = 1.068757373421296 (0.00404968% change) linmin: converged after 5 iterations. iteration 149: trace = 1.06871741940429 (0.00373843% change) linmin: converged after 9 iterations. iteration 150: trace = 1.068678935993993 (0.00360096% change) linmin: converged after 6 iterations. iteration 151: trace = 1.068654694120156 (0.00226842% change) linmin: converged after 5 iterations. iteration 152: trace = 1.068642743934376 (0.00111825% change) linmin: converged after 5 iterations. iteration 153: trace = 1.068637179155169 (0.000520735% change) linmin: converged after 8 iterations. iteration 154: trace = 1.068633795993423 (0.000316587% change) linmin: converged after 8 iterations. iteration 155: trace = 1.068631062838858 (0.000255762% change) linmin: converged after 5 iterations. iteration 156: trace = 1.06862861063566 (0.000229472% change) linmin: converged after 7 iterations. iteration 157: trace = 1.068627264826065 (0.000125938% change) linmin: converged after 5 iterations. iteration 158: trace = 1.068626757620196 (4.74633e-05% change) linmin: converged after 4 iterations. iteration 159: trace = 1.068626630711401 (1.18759e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 1.068626598200819 (3.04228e-06% change) linmin: converged after 8 iterations. iteration 161: trace = 1.068626583537483 (1.37217e-06% change) linmin: converged after 4 iterations. iteration 162: trace = 1.068626572382386 (1.04387e-06% change) linmin: converged after 3 iterations. iteration 163: trace = 1.068626562840985 (8.92866e-07% change) linmin: converged after 7 iterations. iteration 164: trace = 1.068626555549581 (6.82315e-07% change) linmin: converged after 15 iterations. iteration 165: trace = 1.068626551021941 (4.23688e-07% change) linmin: converged after 4 iterations. iteration 166: trace = 1.06862654726605 (3.51469e-07% change) linmin: converged after 4 iterations. iteration 167: trace = 1.068626545007675 (2.11334e-07% change) linmin: converged after 9 iterations. iteration 168: trace = 1.068626543631622 (1.28768e-07% change) linmin: converged after 5 iterations. iteration 169: trace = 1.068626542457055 (1.09914e-07% change) linmin: converged after 4 iterations. iteration 170: trace = 1.068626540775745 (1.57334e-07% change) large trace change predicted (3.15175e-07%) linmin: converged after 7 iterations. iteration 171: trace = 1.068626537407016 (3.15239e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 1.068626533723195 (3.44725e-07% change) linmin: converged after 21 iterations. iteration 173: trace = 1.068626531663351 (1.92756e-07% change) linmin: converged after 12 iterations. iteration 174: trace = 1.068626530817167 (7.91843e-08% change) linmin: converged after 12 iterations. iteration 175: trace = 1.068626530497293 (2.99332e-08% change) linmin: converged after 7 iterations. iteration 176: trace = 1.068626530333551 (1.53227e-08% change) linmin: converged after 4 iterations. iteration 177: trace = 1.068626530258664 (7.00774e-09% change) linmin: converged after 6 iterations. iteration 178: trace = 1.068626530162968 (8.95508e-09% change) large trace change predicted (2.12929e-08%) linmin: converged after 4 iterations. iteration 179: trace = 1.068626529935186 (2.13153e-08% change) linmin: converged after 8 iterations. iteration 180: trace = 1.06862652955323 (3.57428e-08% change) linmin: converged after 5 iterations. iteration 181: trace = 1.068626528973315 (5.42673e-08% change) linmin: converged after 4 iterations. iteration 182: trace = 1.068626528427385 (5.10871e-08% change) linmin: converged after 5 iterations. iteration 183: trace = 1.06862652772693 (6.55472e-08% change) linmin: converged after 5 iterations. iteration 184: trace = 1.06862652690388 (7.70194e-08% change) linmin: converged after 3 iterations. iteration 185: trace = 1.068626526189199 (6.68785e-08% change) linmin: converged after 4 iterations. iteration 186: trace = 1.068626525702382 (4.55554e-08% change) linmin: converged after 9 iterations. iteration 187: trace = 1.068626525445897 (2.40013e-08% change) linmin: converged after 3 iterations. iteration 188: trace = 1.068626525378705 (6.28772e-09% change) linmin: converged after 4 iterations. iteration 189: trace = 1.068626525351078 (2.58526e-09% change) linmin: converged after 3 iterations. iteration 190: trace = 1.06862652533912 (1.11901e-09% change) linmin: converged after 3 iterations. iteration 191: trace = 1.068626525324242 (1.39231e-09% change) linmin: converged after 3 iterations. iteration 192: trace = 1.068626525309263 (1.4017e-09% change) linmin: converged after 4 iterations. iteration 193: trace = 1.068626525303099 (5.7679e-10% change) linmin: converged after 4 iterations. iteration 194: trace = 1.068626525300159 (2.7517e-10% change) linmin: converged after 5 iterations. iteration 195: trace = 1.068626525298999 (1.08505e-10% change) linmin: converged after 3 iterations. iteration 196: trace = 1.068626525298606 (3.68195e-11% change) Finished solving for bands 1 to 5 after 196 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 elapsed time for k point: 1.376673698425293 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.09676373046218 (4.83164% change) linmin: converged after 4 iterations. iteration 2: trace = 1.082691277589466 (1.29137% change) linmin: converged after 3 iterations. iteration 3: trace = 1.079957260528795 (0.25284% change) linmin: converged after 5 iterations. iteration 4: trace = 1.07764773731734 (0.214082% change) linmin: converged after 4 iterations. iteration 5: trace = 1.076735253705281 (0.0847095% change) linmin: converged after 5 iterations. iteration 6: trace = 1.075213699012749 (0.141412% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074492218765974 (0.0671236% change) linmin: converged after 3 iterations. iteration 8: trace = 1.074213739467549 (0.0259207% change) linmin: converged after 3 iterations. iteration 9: trace = 1.074138188251446 (0.00703341% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074123932232067 (0.00132721% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074120393735298 (0.000329432% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074119608461603 (7.31086e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.074119350205694 (2.40435e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.074119193446577 (1.45942e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.074119086979259 (9.91206e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 1.07411899846238 (8.24088e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074118951624113 (4.36062e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074118930569966 (1.96013e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.074118922703944 (7.32323e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074118920440504 (2.10725e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074118919553628 (8.25677e-08% change) linmin: converged after 20 iterations. iteration 22: trace = 1.074118918883232 (6.24136e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.074118918125842 (7.05127e-08% change) linmin: converged after 24 iterations. iteration 24: trace = 1.074118917274336 (7.92748e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074118916478545 (7.40878e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074118915076856 (1.30497e-07% change) large trace change predicted (3.47216e-07%) linmin: converged after 2 iterations. iteration 27: trace = 1.074118911347338 (3.47216e-07% change) large trace change predicted (1.06055e-06%) linmin: converged after 2 iterations. iteration 28: trace = 1.074118899955731 (1.06055e-06% change) large trace change predicted (3.74552e-06%) linmin: converged after 4 iterations. iteration 29: trace = 1.074118859726342 (3.74534e-06% change) large trace change predicted (2.30294e-05%) linmin: converged after 6 iterations. iteration 30: trace = 1.074118613396065 (2.29332e-05% change) near maximum in trace linmin: converged after 14 iterations. iteration 31: trace = 1.074108656646908 (0.000926974% change) linmin: converged after 7 iterations. iteration 32: trace = 1.074107966624208 (6.42414e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.074107274939571 (6.43962e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 1.074106574379339 (6.52226e-05% change) linmin: converged after 7 iterations. iteration 35: trace = 1.074105856059128 (6.68761e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.074105113322936 (6.91493e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.074104343007871 (7.17169e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 1.074103545951054 (7.42067e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 1.07410272682279 (7.62616e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 1.074101893138382 (7.76169e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 1.074101053725188 (7.81503e-05% change) linmin: converged after 7 iterations. iteration 42: trace = 1.074100217337326 (7.78687e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 1.074099391966481 (7.6843e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 1.074098584810139 (7.51473e-05% change) linmin: converged after 6 iterations. iteration 45: trace = 1.074097802433133 (7.28404e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 1.074097050705479 (6.99869e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 1.074096334430325 (6.66863e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 1.07409565686185 (6.30827e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 1.074095019383428 (5.93503e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 1.07409442149858 (5.56641e-05% change) linmin: converged after 7 iterations. iteration 51: trace = 1.074093861118876 (5.21723e-05% change) linmin: converged after 8 iterations. iteration 52: trace = 1.074093335024875 (4.89803e-05% change) linmin: converged after 9 iterations. iteration 53: trace = 1.07409283939711 (4.61438e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 1.074092370113571 (4.36912e-05% change) linmin: converged after 9 iterations. iteration 55: trace = 1.074091923256406 (4.16032e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 1.074091495242604 (3.98489e-05% change) linmin: converged after 9 iterations. iteration 57: trace = 1.074091082941412 (3.8386e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 1.074090683728918 (3.71675e-05% change) linmin: converged after 5 iterations. iteration 59: trace = 1.074090295505451 (3.61444e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 1.074089916681102 (3.52693e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.074089546094833 (3.45024e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 1.074089182963636 (3.38083e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.074088826791051 (3.31604e-05% change) linmin: converged after 6 iterations. iteration 64: trace = 1.074088477312062 (3.25373e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 1.074088134417222 (3.19243e-05% change) linmin: converged after 6 iterations. iteration 66: trace = 1.07408779808815 (3.1313e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 1.074087468362276 (3.06982e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 1.074087145274952 (3.00802e-05% change) linmin: converged after 5 iterations. iteration 69: trace = 1.074086828846009 (2.94603e-05% change) resetting CG direction... large trace change predicted (0.00552372%) linmin: converged after 5 iterations. iteration 70: trace = 1.074027493717414 (0.00552439% change) linmin: converged after 5 iterations. iteration 71: trace = 1.07398995781575 (0.00349493% change) linmin: converged after 5 iterations. iteration 72: trace = 1.073965807916534 (0.00224864% change) linmin: converged after 8 iterations. iteration 73: trace = 1.073953302254915 (0.00116444% change) linmin: converged after 4 iterations. iteration 74: trace = 1.073950631525306 (0.000248682% change) linmin: converged after 3 iterations. iteration 75: trace = 1.073949453542193 (0.000109687% change) linmin: converged after 6 iterations. iteration 76: trace = 1.073948843714901 (5.67836e-05% change) linmin: converged after 21 iterations. iteration 77: trace = 1.073948012424094 (7.74051e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 1.073947355572637 (6.11623e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 1.073947066424464 (2.69239e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 1.073946952225013 (1.06336e-05% change) linmin: converged after 2 iterations. iteration 81: trace = 1.073946905475717 (4.35304e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 1.073946876259188 (2.72048e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 1.073946859382544 (1.57146e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 1.073946850788527 (8.00227e-07% change) linmin: converged after 6 iterations. iteration 85: trace = 1.073946846427495 (4.06075e-07% change) linmin: converged after 25 iterations. iteration 86: trace = 1.073946843003072 (3.18863e-07% change) linmin: converged after 4 iterations. iteration 87: trace = 1.073946839409046 (3.34656e-07% change) large trace change predicted (7.27062e-07%) linmin: converged after 3 iterations. iteration 88: trace = 1.073946831600816 (7.27059e-07% change) large trace change predicted (1.48103e-06%) linmin: converged after 4 iterations. iteration 89: trace = 1.073946815695358 (1.48103e-06% change) large trace change predicted (4.37951e-06%) linmin: converged after 5 iterations. iteration 90: trace = 1.073946768662516 (4.37944e-06% change) linmin: converged after 6 iterations. iteration 91: trace = 1.073946679821678 (8.27237e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 1.073946529008632 (1.40429e-05% change) linmin: converged after 5 iterations. iteration 93: trace = 1.07394636530593 (1.52431e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 1.073946255251097 (1.02477e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 1.073946149707093 (9.82768e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 1.073946053608511 (8.94818e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 1.073945952647669 (9.40092e-06% change) linmin: converged after 9 iterations. iteration 98: trace = 1.073945869385615 (7.75291e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 1.073945843503251 (2.41003e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 1.0739458373822 (5.69959e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 1.073945836401789 (9.12906e-08% change) linmin: converged after 6 iterations. iteration 102: trace = 1.073945836058058 (3.20064e-08% change) linmin: converged after 5 iterations. iteration 103: trace = 1.073945835877834 (1.67814e-08% change) linmin: converged after 21 iterations. iteration 104: trace = 1.073945835763812 (1.06171e-08% change) linmin: converged after 7 iterations. iteration 105: trace = 1.073945835716336 (4.42069e-09% change) linmin: converged after 10 iterations. iteration 106: trace = 1.073945835701665 (1.36606e-09% change) linmin: converged after 3 iterations. iteration 107: trace = 1.073945835696708 (4.61624e-10% change) linmin: converged after 4 iterations. iteration 108: trace = 1.073945835694309 (2.23296e-10% change) linmin: converged after 13 iterations. iteration 109: trace = 1.073945835692663 (1.5333e-10% change) linmin: converged after 3 iterations. iteration 110: trace = 1.073945835691533 (1.05239e-10% change) linmin: converged after 3 iterations. iteration 111: trace = 1.073945835690725 (7.52385e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 elapsed time for k point: 0.7816362380981445 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.093863489470061 (5.33662% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078476777688544 (1.4166% change) linmin: converged after 4 iterations. iteration 3: trace = 1.076328697155982 (0.199376% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075208255595951 (0.104153% change) linmin: converged after 4 iterations. iteration 5: trace = 1.07503517157428 (0.016099% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074955695782235 (0.00739313% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074896058833362 (0.00554801% change) linmin: converged after 5 iterations. iteration 8: trace = 1.074864563428873 (0.00293013% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074852338404324 (0.00113736% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074850012942938 (0.000216352% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074849426029419 (5.46042e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074849271410158 (1.43852e-05% change) linmin: converged after 9 iterations. iteration 13: trace = 1.074849229292721 (3.91845e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.074849215166149 (1.31428e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.074849211829465 (3.10433e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 1.074849210719722 (1.03246e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074849209946279 (7.19582e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074849209005695 (8.75085e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 1.074849207760994 (1.15802e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074849206703752 (9.83619e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074849205562663 (1.06163e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074849203559148 (1.864e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.074849200235667 (3.09204e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074849195274801 (4.61541e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074849189777705 (5.11429e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074849181222386 (7.95955e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.074849167022692 (1.32109e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.074849153566981 (1.25187e-06% change) linmin: converged after 16 iterations. iteration 29: trace = 1.074849145742549 (7.27956e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 1.074849142292259 (3.21002e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 1.074849140247105 (1.90274e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.07484913871434 (1.42603e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.074849137906281 (7.51787e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.074849137608582 (2.76969e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.074849137533784 (6.9589e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 1.074849137516846 (1.57591e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.074849137512896 (3.67489e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 1.074849137511864 (9.60194e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.2704610824584961 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.078756946581757 (0.894499% change) linmin: converged after 5 iterations. iteration 2: trace = 1.075235337821099 (0.326984% change) linmin: converged after 5 iterations. iteration 3: trace = 1.073638839416679 (0.148589% change) linmin: converged after 4 iterations. iteration 4: trace = 1.073077825185615 (0.0522672% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072780827427175 (0.027681% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072586993276598 (0.01807% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072447691945423 (0.0129883% change) linmin: converged after 4 iterations. iteration 8: trace = 1.07239326667108 (0.00507499% change) linmin: converged after 4 iterations. iteration 9: trace = 1.07236325167962 (0.00279892% change) linmin: converged after 4 iterations. iteration 10: trace = 1.072354631902956 (0.000803814% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072350311724843 (0.000402869% change) linmin: converged after 5 iterations. iteration 12: trace = 1.072348215271241 (0.000195501% change) linmin: converged after 4 iterations. iteration 13: trace = 1.072347360434731 (7.97163e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.072346902122047 (4.27392e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.072346623483659 (2.5984e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.072346159275199 (4.3289e-05% change) large trace change predicted (0.000101681%) linmin: converged after 5 iterations. iteration 17: trace = 1.072345068890038 (0.000101682% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072342995658238 (0.000193336% change) linmin: converged after 6 iterations. iteration 19: trace = 1.072339903829155 (0.000288325% change) linmin: converged after 5 iterations. iteration 20: trace = 1.072336586509769 (0.000309354% change) linmin: converged after 7 iterations. iteration 21: trace = 1.072331067849422 (0.00051464% change) linmin: converged after 5 iterations. iteration 22: trace = 1.07232082224701 (0.000955456% change) linmin: converged after 5 iterations. iteration 23: trace = 1.072308842030553 (0.00111723% change) linmin: converged after 4 iterations. iteration 24: trace = 1.072300271286768 (0.000799283% change) linmin: converged after 4 iterations. iteration 25: trace = 1.072297170565835 (0.000289166% change) linmin: converged after 3 iterations. iteration 26: trace = 1.072296311606893 (8.01046e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.072296078653345 (2.17247e-05% change) linmin: converged after 3 iterations. iteration 28: trace = 1.072296014168777 (6.01369e-06% change) linmin: converged after 24 iterations. iteration 29: trace = 1.072295982383621 (2.96421e-06% change) linmin: converged after 15 iterations. iteration 30: trace = 1.072295961925376 (1.90789e-06% change) linmin: converged after 7 iterations. iteration 31: trace = 1.072295950654601 (1.05109e-06% change) linmin: converged after 3 iterations. iteration 32: trace = 1.072295945180989 (5.10457e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 1.072295942506052 (2.49459e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.072295940839705 (1.554e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.072295940001716 (7.8149e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.072295939666597 (3.12525e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.072295939534582 (1.23115e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.072295939489791 (4.17712e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.072295939475879 (1.29736e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.072295939471375 (4.2005e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.072295939468839 (2.36479e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.072295939464564 (3.987e-10% change) large trace change predicted (1.11332e-09%) linmin: converged after 2 iterations. iteration 43: trace = 1.072295939452623 (1.1136e-09% change) large trace change predicted (2.51363e-09%) linmin: converged after 2 iterations. iteration 44: trace = 1.072295939425672 (2.5134e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 1.072295939386053 (3.69472e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 1.072295939340153 (4.28055e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 1.072295939279222 (5.68236e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 1.072295939194636 (7.88826e-09% change) linmin: converged after 14 iterations. iteration 49: trace = 1.072295939101619 (8.67454e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 1.072295939034332 (6.27509e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.072295939004893 (2.74541e-09% change) linmin: converged after 3 iterations. iteration 52: trace = 1.072295938995445 (8.81141e-10% change) linmin: converged after 9 iterations. iteration 53: trace = 1.072295938992633 (2.62197e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 1.072295938991753 (8.20841e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 elapsed time for k point: 0.3813471794128418 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.073401218506954 (0.802321% change) linmin: converged after 5 iterations. iteration 2: trace = 1.070911358186742 (0.232229% change) linmin: converged after 4 iterations. iteration 3: trace = 1.069941901356453 (0.0905673% change) linmin: converged after 4 iterations. iteration 4: trace = 1.069553512469482 (0.0363066% change) linmin: converged after 4 iterations. iteration 5: trace = 1.069331087282139 (0.0207982% change) linmin: converged after 4 iterations. iteration 6: trace = 1.069162619782136 (0.0157557% change) linmin: converged after 4 iterations. iteration 7: trace = 1.06905313998237 (0.0102403% change) linmin: converged after 4 iterations. iteration 8: trace = 1.069016273147659 (0.00344861% change) linmin: converged after 4 iterations. iteration 9: trace = 1.068993109651654 (0.00216683% change) linmin: converged after 4 iterations. iteration 10: trace = 1.068984047122717 (0.000847767% change) linmin: converged after 4 iterations. iteration 11: trace = 1.06897880030921 (0.000490824% change) linmin: converged after 4 iterations. iteration 12: trace = 1.068976671400316 (0.000199154% change) linmin: converged after 4 iterations. iteration 13: trace = 1.068976061675412 (5.70382e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.068975835503111 (2.11578e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.068975752616184 (7.75386e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.068975691300615 (5.73592e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.068975611585199 (7.45718e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 1.068975504394132 (1.00275e-05% change) linmin: converged after 13 iterations. iteration 19: trace = 1.068975371946158 (1.23902e-05% change) linmin: converged after 15 iterations. iteration 20: trace = 1.068975238400153 (1.24929e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.06897500900797 (2.14591e-05% change) large trace change predicted (5.31033e-05%) linmin: converged after 4 iterations. iteration 22: trace = 1.06897444137869 (5.31003e-05% change) large trace change predicted (0.000113315%) linmin: converged after 3 iterations. iteration 23: trace = 1.068973230351379 (0.000113289% change) linmin: converged after 6 iterations. iteration 24: trace = 1.06897161225228 (0.00015137% change) linmin: converged after 6 iterations. iteration 25: trace = 1.068970673722614 (8.77975e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.068970296062492 (3.53293e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.068970144206493 (1.42058e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 1.068970064617742 (7.44537e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 1.068970000607836 (5.988e-06% change) linmin: converged after 16 iterations. iteration 30: trace = 1.068969962460986 (3.56856e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.068969945599901 (1.57732e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.068969938463749 (6.67573e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.068969934705131 (3.51611e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.068969932325581 (2.22602e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.068969931392087 (8.73265e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 1.068969931132231 (2.4309e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.068969931062231 (6.54836e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 1.068969931043933 (1.71176e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.068969931038534 (5.05088e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 1.06896993103669 (1.72489e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.068969931035931 (7.09773e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 elapsed time for k point: 0.29221630096435547 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.07210087104172 (0.745891% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069747625154363 (0.21974% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068703623581534 (0.0976409% change) linmin: converged after 4 iterations. iteration 4: trace = 1.06787537155338 (0.0775307% change) linmin: converged after 4 iterations. iteration 5: trace = 1.067259421669873 (0.0576966% change) linmin: converged after 5 iterations. iteration 6: trace = 1.066744514113844 (0.0482574% change) linmin: converged after 4 iterations. iteration 7: trace = 1.066542840030842 (0.0189074% change) linmin: converged after 4 iterations. iteration 8: trace = 1.066494016835053 (0.00457781% change) linmin: converged after 4 iterations. iteration 9: trace = 1.066464593745213 (0.0027589% change) linmin: converged after 4 iterations. iteration 10: trace = 1.066451587651854 (0.00121956% change) linmin: converged after 4 iterations. iteration 11: trace = 1.066443672010177 (0.000742244% change) linmin: converged after 4 iterations. iteration 12: trace = 1.066440721230631 (0.000276694% change) linmin: converged after 4 iterations. iteration 13: trace = 1.066439849497521 (8.17423e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.066439375236251 (4.44715e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.066439009933316 (3.42545e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.066438547210227 (4.33896e-05% change) linmin: converged after 14 iterations. iteration 17: trace = 1.066438083387294 (4.34927e-05% change) linmin: converged after 15 iterations. iteration 18: trace = 1.066437660409854 (3.96626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.066437091992715 (5.33006e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 1.066436003254613 (0.000102091% change) large trace change predicted (0.000276028%) linmin: converged after 5 iterations. iteration 21: trace = 1.06643306101055 (0.000275895% change) linmin: converged after 3 iterations. iteration 22: trace = 1.066427934770839 (0.000480691% change) linmin: converged after 5 iterations. iteration 23: trace = 1.06642432669396 (0.000338334% change) linmin: converged after 13 iterations. iteration 24: trace = 1.066422960619856 (0.000128099% change) linmin: converged after 4 iterations. iteration 25: trace = 1.066422499826517 (4.32093e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.066422186812465 (2.93518e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.06642189052926 (2.77829e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 1.066421685763602 (1.92012e-05% change) linmin: converged after 15 iterations. iteration 29: trace = 1.066421590549711 (8.92835e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.066421557709065 (3.07952e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.066421543618788 (1.32127e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.066421537040994 (6.1681e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.06642153395643 (2.89244e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.066421532545999 (1.32258e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.066421532098645 (4.19491e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.066421531981016 (1.10303e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.066421531947826 (3.11233e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 1.066421531934552 (1.24475e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.066421531923714 (1.01625e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 1.066421531913866 (9.23432e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.066421531908594 (4.94427e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.066421531906733 (1.74505e-10% change) linmin: converged after 6 iterations. iteration 43: trace = 1.06642153190616 (5.37402e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 elapsed time for k point: 0.30532312393188477 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.069785773582439 (0.695776% change) linmin: converged after 4 iterations. iteration 2: trace = 1.067527570063895 (0.211312% change) linmin: converged after 4 iterations. iteration 3: trace = 1.066558947063649 (0.0907764% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065685964046792 (0.0818839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065178396934747 (0.0476396% change) linmin: converged after 4 iterations. iteration 6: trace = 1.064838989620205 (0.031869% change) linmin: converged after 4 iterations. iteration 7: trace = 1.064736335048867 (0.00964085% change) linmin: converged after 4 iterations. iteration 8: trace = 1.064718062404295 (0.00171618% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064709443693912 (0.000809486% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064705784333718 (0.000343696% change) linmin: converged after 6 iterations. iteration 11: trace = 1.064703064045394 (0.000255497% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064701652732799 (0.000132555% change) linmin: converged after 4 iterations. iteration 13: trace = 1.06470118218853 (4.4195e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.064700943603852 (2.24086e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.064700802693302 (1.32348e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.064700694078543 (1.02014e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064700636606554 (5.39795e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.064700617115639 (1.83065e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.064700610391738 (6.3153e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064700607863227 (2.37486e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064700605633887 (2.09387e-07% change) large trace change predicted (4.79923e-07%) linmin: converged after 2 iterations. iteration 22: trace = 1.064700600524144 (4.79923e-07% change) large trace change predicted (1.42414e-06%) linmin: converged after 12 iterations. iteration 23: trace = 1.064700585361344 (1.42414e-06% change) large trace change predicted (2.9795e-06%) linmin: converged after 3 iterations. iteration 24: trace = 1.064700553639115 (2.97945e-06% change) linmin: converged after 20 iterations. iteration 25: trace = 1.06470052678614 (2.52212e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064700508730731 (1.69582e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.064700490073184 (1.75238e-06% change) linmin: converged after 24 iterations. iteration 28: trace = 1.064700466708129 (2.19452e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 1.064700446691999 (1.87998e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.064700438159564 (8.01393e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.064700434712853 (3.23726e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.064700432935417 (1.66942e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.064700431874728 (9.96233e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 1.064700431313315 (5.27297e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.064700431122884 (1.78859e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.064700431069199 (5.04225e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 1.064700431049591 (1.84159e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 1.064700431037441 (1.14119e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 1.064700431026596 (1.01859e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 1.064700431020414 (5.80648e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 1.064700431018627 (1.67863e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.064700431018219 (3.82692e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 elapsed time for k point: 0.2992849349975586 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.07102135025323 (0.625217% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069008626705355 (0.188102% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068158244968759 (0.0795803% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067197593263683 (0.0899758% change) linmin: converged after 4 iterations. iteration 5: trace = 1.066544127991008 (0.0612506% change) linmin: converged after 5 iterations. iteration 6: trace = 1.065958659747478 (0.054909% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065750318740433 (0.0195469% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065675510628551 (0.00701954% change) linmin: converged after 4 iterations. iteration 9: trace = 1.065611170312027 (0.0060377% change) linmin: converged after 4 iterations. iteration 10: trace = 1.065570512593531 (0.00381551% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065544557362741 (0.00243584% change) linmin: converged after 4 iterations. iteration 12: trace = 1.065536856806759 (0.00072269% change) linmin: converged after 4 iterations. iteration 13: trace = 1.065534821684941 (0.000190995% change) linmin: converged after 4 iterations. iteration 14: trace = 1.06553386588685 (8.97013e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.065533310006943 (5.21692e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 1.065532898639761 (3.86067e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.065532683273434 (2.02121e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 1.065532562793897 (1.1307e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 1.06553241194823 (1.41568e-05% change) large trace change predicted (2.83328e-05%) linmin: converged after 5 iterations. iteration 20: trace = 1.065532110048137 (2.83333e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.065531537829716 (5.37026e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.065530957301291 (5.44825e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.065530503251296 (4.26126e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.065529848637876 (6.14355e-05% change) large trace change predicted (0.000173392%) linmin: converged after 7 iterations. iteration 25: trace = 1.065528002339836 (0.000173275% change) large trace change predicted (0.000909711%) linmin: converged after 4 iterations. iteration 26: trace = 1.065518574727253 (0.000884787% change) large trace change predicted (0.00393925%) linmin: converged after 8 iterations. iteration 27: trace = 1.065486645930534 (0.00299659% change) linmin: converged after 7 iterations. iteration 28: trace = 1.065452554312377 (0.00319968% change) linmin: converged after 15 iterations. iteration 29: trace = 1.065430694062877 (0.00205175% change) linmin: converged after 4 iterations. iteration 30: trace = 1.065419520873003 (0.00104871% change) linmin: converged after 4 iterations. iteration 31: trace = 1.065412511941131 (0.000657859% change) linmin: converged after 4 iterations. iteration 32: trace = 1.065407624927191 (0.000458698% change) linmin: converged after 4 iterations. iteration 33: trace = 1.065405106256101 (0.000236405% change) linmin: converged after 4 iterations. iteration 34: trace = 1.065404017239764 (0.000102216% change) linmin: converged after 7 iterations. iteration 35: trace = 1.065403611191079 (3.81122e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 1.065403441828039 (1.58966e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 1.065403323931502 (1.10659e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 1.065403209114892 (1.07768e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.065403107364856 (9.55038e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 1.065403054387149 (4.97255e-06% change) linmin: converged after 3 iterations. iteration 41: trace = 1.065403036014426 (1.72449e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.065403029074995 (6.51343e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 1.065403024643697 (4.15927e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 1.065403021191505 (3.24027e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.065403018975985 (2.07951e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 1.065403018005738 (9.10685e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 1.065403017543515 (4.33848e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.065403017076432 (4.3841e-08% change) large trace change predicted (8.98844e-08%) linmin: converged after 2 iterations. iteration 49: trace = 1.065403016118797 (8.98848e-08% change) large trace change predicted (2.34693e-07%) linmin: converged after 2 iterations. iteration 50: trace = 1.065403013618366 (2.34693e-07% change) large trace change predicted (5.60917e-07%) linmin: converged after 3 iterations. iteration 51: trace = 1.065403007642306 (5.6092e-07% change) linmin: converged after 17 iterations. iteration 52: trace = 1.065402998322922 (8.74729e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 1.065402986266862 (1.1316e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 1.065402969178449 (1.60394e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 1.065402943674205 (2.39386e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 1.065402909801809 (3.1793e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 1.0654028805448 (2.7461e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 1.065402867306225 (1.24259e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 1.065402862588771 (4.42786e-07% change) linmin: converged after 3 iterations. iteration 60: trace = 1.065402860542757 (1.92041e-07% change) linmin: converged after 2 iterations. iteration 61: trace = 1.065402859235994 (1.22654e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 1.065402858140702 (1.02805e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 1.065402857385879 (7.08485e-08% change) linmin: converged after 2 iterations. iteration 64: trace = 1.065402857037139 (3.27332e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 1.065402856879915 (1.47573e-08% change) linmin: converged after 12 iterations. iteration 66: trace = 1.065402856783426 (9.05656e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 1.06540285669882 (7.94121e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.065402856628581 (6.59277e-09% change) linmin: converged after 5 iterations. iteration 69: trace = 1.065402856591345 (3.49495e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.065402856578412 (1.21395e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 1.065402856572634 (5.42293e-10% change) linmin: converged after 3 iterations. iteration 72: trace = 1.065402856570871 (1.65481e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 1.065402856570094 (7.29448e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 elapsed time for k point: 0.5157966613769531 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065652986634801 (0.504169% change) linmin: converged after 5 iterations. iteration 2: trace = 1.063445114738671 (0.2074% change) linmin: converged after 4 iterations. iteration 3: trace = 1.062314064658214 (0.106414% change) linmin: converged after 5 iterations. iteration 4: trace = 1.060800078337779 (0.142619% change) linmin: converged after 5 iterations. iteration 5: trace = 1.059864885140574 (0.0881981% change) linmin: converged after 5 iterations. iteration 6: trace = 1.058934077527141 (0.0878618% change) linmin: converged after 4 iterations. iteration 7: trace = 1.058590167425031 (0.0324823% change) linmin: converged after 4 iterations. iteration 8: trace = 1.058340293631423 (0.0236072% change) linmin: converged after 5 iterations. iteration 9: trace = 1.058044369944337 (0.027965% change) linmin: converged after 4 iterations. iteration 10: trace = 1.057844196498605 (0.018921% change) linmin: converged after 4 iterations. iteration 11: trace = 1.057733299053829 (0.0104839% change) linmin: converged after 4 iterations. iteration 12: trace = 1.05768688610645 (0.00438806% change) linmin: converged after 4 iterations. iteration 13: trace = 1.057643718296448 (0.00408142% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057601094515691 (0.00403015% change) linmin: converged after 4 iterations. iteration 15: trace = 1.057574169318424 (0.00254591% change) linmin: converged after 4 iterations. iteration 16: trace = 1.057560843562136 (0.00126004% change) linmin: converged after 4 iterations. iteration 17: trace = 1.057554897779985 (0.000562218% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057550493140094 (0.000416494% change) linmin: converged after 5 iterations. iteration 19: trace = 1.0575476220046 (0.00027149% change) linmin: converged after 5 iterations. iteration 20: trace = 1.057546213280055 (0.000133207% change) linmin: converged after 5 iterations. iteration 21: trace = 1.057545647266149 (5.35214e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 1.057545445060972 (1.91202e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 1.05754534645965 (9.3236e-06% change) linmin: converged after 16 iterations. iteration 24: trace = 1.057545294682108 (4.89601e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057545271741688 (2.16921e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057545262910941 (8.35023e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057545260634137 (2.15291e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057545259834002 (7.56597e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.057545259398525 (4.11781e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 1.05754525910819 (2.74536e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.057545258933646 (1.65047e-08% change) linmin: converged after 4 iterations. iteration 32: trace = 1.057545258873737 (5.66485e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.057545258854841 (1.78684e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.057545258846103 (8.26181e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.057545258839637 (6.11473e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.057545258833266 (6.02382e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.05754525882868 (4.33677e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.0575452588261 (2.43934e-10% change) linmin: converged after 2 iterations. iteration 39: trace = 1.057545258824424 (1.58501e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 1.05754525882298 (1.36559e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.057545258821918 (1.00446e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.057545258821419 (4.71365e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 elapsed time for k point: 0.29875659942626953 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051264386853347 (0.453577% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049735266940344 (0.145561% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049264550979229 (0.0448515% change) linmin: converged after 4 iterations. iteration 4: trace = 1.048963507822213 (0.028695% change) linmin: converged after 4 iterations. iteration 5: trace = 1.048842772219768 (0.0115107% change) linmin: converged after 4 iterations. iteration 6: trace = 1.048772455329971 (0.00670446% change) linmin: converged after 4 iterations. iteration 7: trace = 1.048748914239769 (0.00224466% change) linmin: converged after 4 iterations. iteration 8: trace = 1.048744582091003 (0.000413079% change) linmin: converged after 5 iterations. iteration 9: trace = 1.048741973701245 (0.000248716% change) linmin: converged after 4 iterations. iteration 10: trace = 1.048740250692929 (0.000164293% change) linmin: converged after 5 iterations. iteration 11: trace = 1.048738772995067 (0.000140902% change) linmin: converged after 5 iterations. iteration 12: trace = 1.048738138397404 (6.05106e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.048737951057083 (1.78634e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.048737879547407 (6.81864e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.048737847303642 (3.07453e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.048737823461936 (2.27337e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.048737805857724 (1.67861e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.048737790475252 (1.46676e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 1.048737774176588 (1.55412e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 1.048737760567202 (1.29769e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.04873775188753 (8.2763e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 1.048737748311007 (3.41031e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.048737746988585 (1.26097e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04873774641459 (5.4732e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.048737746162668 (2.40215e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.048737746020623 (1.35444e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 1.048737745965866 (5.22115e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.048737745951454 (1.37423e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 1.048737745947921 (3.36877e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.048737745947218 (6.70535e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 elapsed time for k point: 0.21512913703918457 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043730320367076 (0.402906% change) linmin: converged after 4 iterations. iteration 2: trace = 1.042615065363816 (0.10691% change) linmin: converged after 4 iterations. iteration 3: trace = 1.042310395155777 (0.029226% change) linmin: converged after 4 iterations. iteration 4: trace = 1.042172278533015 (0.0132519% change) linmin: converged after 4 iterations. iteration 5: trace = 1.042115497545387 (0.00544848% change) linmin: converged after 4 iterations. iteration 6: trace = 1.042085473330465 (0.00288112% change) linmin: converged after 4 iterations. iteration 7: trace = 1.042070524368616 (0.00143453% change) linmin: converged after 4 iterations. iteration 8: trace = 1.042066548612395 (0.000381525% change) linmin: converged after 4 iterations. iteration 9: trace = 1.04206288704744 (0.000351376% change) linmin: converged after 5 iterations. iteration 10: trace = 1.042059736967639 (0.000302293% change) linmin: converged after 4 iterations. iteration 11: trace = 1.042056939339058 (0.000268471% change) linmin: converged after 5 iterations. iteration 12: trace = 1.042055775662505 (0.000111671% change) linmin: converged after 5 iterations. iteration 13: trace = 1.042055457699164 (3.05131e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.042055355980333 (9.76136e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.042055322293884 (3.23269e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.04205530254784 (1.89491e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.042055285398356 (1.64574e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.042055265630027 (1.89705e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.042055241138577 (2.3503e-06% change) linmin: converged after 24 iterations. iteration 20: trace = 1.042055220583108 (1.97259e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.042055207018138 (1.30175e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 1.042055201090034 (5.68886e-07% change) linmin: converged after 28 iterations. iteration 23: trace = 1.042055199094496 (1.915e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04205519837725 (6.88299e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.042055198125168 (2.41909e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.042055197991547 (1.28228e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.042055197924895 (6.39625e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.04205519790092 (2.30075e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 1.042055197891545 (8.99638e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.042055197887335 (4.04006e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.042055197884501 (2.71937e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.04205519788275 (1.6808e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 1.042055197882125 (5.9919e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 elapsed time for k point: 0.23578691482543945 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.040583967142476 (0.367529% change) linmin: converged after 4 iterations. iteration 2: trace = 1.039722865444434 (0.082786% change) linmin: converged after 4 iterations. iteration 3: trace = 1.03950165624003 (0.021278% change) linmin: converged after 4 iterations. iteration 4: trace = 1.039430647296617 (0.00683129% change) linmin: converged after 4 iterations. iteration 5: trace = 1.039402550983523 (0.00270308% change) linmin: converged after 5 iterations. iteration 6: trace = 1.039389236782683 (0.00128096% change) linmin: converged after 4 iterations. iteration 7: trace = 1.039377840080219 (0.00109649% change) linmin: converged after 4 iterations. iteration 8: trace = 1.039372508607764 (0.00051295% change) linmin: converged after 4 iterations. iteration 9: trace = 1.039365669584023 (0.000657998% change) linmin: converged after 5 iterations. iteration 10: trace = 1.039358797682128 (0.000661165% change) linmin: converged after 4 iterations. iteration 11: trace = 1.039351522033653 (0.000700016% change) linmin: converged after 5 iterations. iteration 12: trace = 1.039347743030244 (0.000363593% change) linmin: converged after 4 iterations. iteration 13: trace = 1.039346603568429 (0.000109632% change) linmin: converged after 5 iterations. iteration 14: trace = 1.039346252826974 (3.37463e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.039346151663282 (9.7334e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.039346101166326 (4.85853e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.039346056762944 (4.27224e-06% change) linmin: converged after 31 iterations. iteration 18: trace = 1.039346002477097 (5.22308e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.039345931774661 (6.80259e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.039345863606865 (6.55872e-06% change) linmin: converged after 14 iterations. iteration 21: trace = 1.039345797360606 (6.37384e-06% change) linmin: converged after 21 iterations. iteration 22: trace = 1.039345749422763 (4.61231e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 1.039345724079952 (2.43834e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 1.039345709972818 (1.35731e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 1.039345701605029 (8.05102e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.039345695151119 (6.20959e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.039345691963401 (3.06704e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.039345690769051 (1.14914e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.039345690283833 (4.6685e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.039345690103328 (1.73671e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.039345690033778 (6.69177e-09% change) linmin: converged after 2 iterations. iteration 32: trace = 1.039345690011562 (2.13744e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.039345690005514 (5.81888e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 1.039345690002439 (2.95911e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.039345689999085 (3.2268e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 1.039345689993938 (4.95258e-10% change) linmin: converged after 15 iterations. iteration 37: trace = 1.039345689988247 (5.47556e-10% change) linmin: converged after 5 iterations. iteration 38: trace = 1.039345689985424 (2.71578e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.039345689984557 (8.34473e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 elapsed time for k point: 0.2777707576751709 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.042607161720726 (0.34652% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041876242539784 (0.0701295% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041689793083082 (0.0178971% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041641147667703 (0.00466997% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041621655682537 (0.00187129% change) linmin: converged after 5 iterations. iteration 6: trace = 1.041610029145236 (0.0011162% change) large trace change predicted (0.0025014%) linmin: converged after 6 iterations. iteration 7: trace = 1.041583957214329 (0.00250307% change) linmin: converged after 7 iterations. iteration 8: trace = 1.041547309522134 (0.00351852% change) large trace change predicted (0.00868818%) linmin: converged after 4 iterations. iteration 9: trace = 1.041457030683444 (0.00866814% change) linmin: converged after 5 iterations. iteration 10: trace = 1.041334060955939 (0.0118082% change) linmin: converged after 5 iterations. iteration 11: trace = 1.041164698683955 (0.0162653% change) linmin: converged after 4 iterations. iteration 12: trace = 1.041009772944854 (0.0148811% change) linmin: converged after 4 iterations. iteration 13: trace = 1.040930951209935 (0.00757195% change) linmin: converged after 3 iterations. iteration 14: trace = 1.040898073108036 (0.00315858% change) linmin: converged after 3 iterations. iteration 15: trace = 1.040888096987886 (0.000958419% change) linmin: converged after 3 iterations. iteration 16: trace = 1.040884173753795 (0.000376913% change) linmin: converged after 3 iterations. iteration 17: trace = 1.040881857294983 (0.000222547% change) linmin: converged after 4 iterations. iteration 18: trace = 1.040880129419306 (0.000166001% change) linmin: converged after 6 iterations. iteration 19: trace = 1.040878846929652 (0.000123212% change) linmin: converged after 6 iterations. iteration 20: trace = 1.040878282104791 (5.42642e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.040878051081422 (2.2195e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 1.040877952535579 (9.46757e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.040877913823631 (3.71916e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.040877896748253 (1.64048e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.04087788840269 (8.01781e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.040877879210204 (8.83147e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.040877861806173 (1.67205e-06% change) linmin: converged after 17 iterations. iteration 28: trace = 1.040877831116783 (2.94841e-06% change) linmin: converged after 9 iterations. iteration 29: trace = 1.040877780705241 (4.84318e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 1.040877720799236 (5.75534e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.040877666373354 (5.22885e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.040877636834854 (2.83785e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 1.040877628021553 (8.46718e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.040877624968494 (2.93316e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.04087762344881 (1.46e-07% change) linmin: converged after 2 iterations. iteration 36: trace = 1.040877622408118 (9.99822e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.040877621570122 (8.05085e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.040877621105957 (4.45937e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 1.040877620899647 (1.98207e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 1.040877620810261 (8.58759e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 1.04087762076838 (4.0236e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 1.040877620742673 (2.46976e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 1.040877620722479 (1.94012e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 1.040877620697877 (2.36357e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 1.040877620655518 (4.0695e-09% change) large trace change predicted (8.31677e-09%) linmin: converged after 5 iterations. iteration 46: trace = 1.04087762056895 (8.3169e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 1.040877620412684 (1.50129e-08% change) linmin: converged after 6 iterations. iteration 48: trace = 1.040877620260937 (1.45787e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 1.040877620187645 (7.04135e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 1.040877620163346 (2.33449e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.040877620156023 (7.03523e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 1.040877620153321 (2.59616e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 1.040877620151859 (1.40389e-10% change) linmin: converged after 6 iterations. iteration 54: trace = 1.040877620150959 (8.65244e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 Felapsed time for k point: 0.3826732635498047 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905434 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080591 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729864 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254649 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.44355516512198084 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898843 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148895 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926983 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967658014080591) to band 3 (0.44237076681729864), 10.869497799550526% total elapsed time for run: 10.194581985473633 done /tmp/meepREy4kN/test_diamond-0: 10.20s /tmp/meepREy4kN/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) read in 32x32x1 epsilon-input-file "/build/reproducible-path/meep-1.25.0/python/tests/data/eps_input_file_test.h5" Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002175569534301758 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 14 iterations. iteration 1: trace = 15.01049802134615 (194.322% change) linmin: converged after 11 iterations. iteration 2: trace = 6.706692165729402 (76.4722% change) linmin: converged after 7 iterations. iteration 3: trace = 5.931553794724423 (12.2665% change) linmin: converged after 6 iterations. iteration 4: trace = 5.66263534197199 (4.63885% change) linmin: converged after 5 iterations. iteration 5: trace = 5.52737228970616 (2.41757% change) linmin: converged after 7 iterations. iteration 6: trace = 5.47481726468407 (0.955356% change) linmin: converged after 5 iterations. iteration 7: trace = 5.45264771076122 (0.405758% change) linmin: converged after 5 iterations. iteration 8: trace = 5.443329006331453 (0.171049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.437411735012713 (0.108766% change) linmin: converged after 5 iterations. iteration 10: trace = 5.434223793409262 (0.058647% change) linmin: converged after 5 iterations. iteration 11: trace = 5.432629201927889 (0.0293478% change) linmin: converged after 5 iterations. iteration 12: trace = 5.431266964497161 (0.0250782% change) linmin: converged after 4 iterations. iteration 13: trace = 5.430129964014599 (0.0209365% change) linmin: converged after 5 iterations. iteration 14: trace = 5.428352252894501 (0.0327433% change) linmin: converged after 5 iterations. iteration 15: trace = 5.425410096349268 (0.0542145% change) linmin: converged after 5 iterations. iteration 16: trace = 5.421476783206287 (0.0725243% change) linmin: converged after 4 iterations. iteration 17: trace = 5.418133499341883 (0.0616864% change) linmin: converged after 4 iterations. iteration 18: trace = 5.416179004384954 (0.0360797% change) linmin: converged after 4 iterations. iteration 19: trace = 5.415183619213011 (0.0183797% change) linmin: converged after 3 iterations. iteration 20: trace = 5.414790413232867 (0.00726144% change) linmin: converged after 3 iterations. iteration 21: trace = 5.414658533289126 (0.00243558% change) linmin: converged after 4 iterations. iteration 22: trace = 5.414605098261726 (0.000986864% change) linmin: converged after 3 iterations. iteration 23: trace = 5.41457978258746 (0.000467545% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414557159787791 (0.000417814% change) linmin: converged after 4 iterations. iteration 25: trace = 5.414537709366753 (0.000359225% change) linmin: converged after 4 iterations. iteration 26: trace = 5.414526431428378 (0.00020829% change) linmin: converged after 4 iterations. iteration 27: trace = 5.41451605909779 (0.000191565% change) linmin: converged after 4 iterations. iteration 28: trace = 5.414506000595718 (0.000185769% change) linmin: converged after 5 iterations. iteration 29: trace = 5.41449557958566 (0.000192465% change) linmin: converged after 5 iterations. iteration 30: trace = 5.41448635782213 (0.000170316% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414478585160106 (0.000143553% change) linmin: converged after 5 iterations. iteration 32: trace = 5.414473688675684 (9.04332e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414471810062541 (3.46961e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414471116517078 (1.28091e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 5.414470893896504 (4.11158e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 5.414470830684592 (1.16746e-06% change) linmin: converged after 3 iterations. iteration 37: trace = 5.414470802007637 (5.29635e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 5.414470781361689 (3.81311e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 5.414470762077194 (3.56166e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 5.414470741386276 (3.82141e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 5.414470722667651 (3.45715e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 5.414470706127513 (3.0548e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 5.414470693366219 (2.35689e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 5.414470683200175 (1.87757e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 5.414470674912629 (1.53063e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 5.414470669970523 (9.12759e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 5.414470667695273 (4.20217e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 5.414470666815693 (1.6245e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 5.414470666454864 (6.66415e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 5.414470666309406 (2.68647e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 5.414470666257172 (9.64723e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.414470666225634 (5.82466e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 5.414470666199085 (4.90342e-10% change) linmin: converged after 5 iterations. iteration 54: trace = 5.414470666173619 (4.70329e-10% change) linmin: converged after 6 iterations. iteration 55: trace = 5.414470666149859 (4.38818e-10% change) linmin: converged after 3 iterations. iteration 56: trace = 5.414470666128734 (3.90164e-10% change) linmin: converged after 3 iterations. iteration 57: trace = 5.414470666110477 (3.37196e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 5.414470666093905 (3.06062e-10% change) linmin: converged after 2 iterations. iteration 59: trace = 5.41447066608077 (2.42596e-10% change) linmin: converged after 4 iterations. iteration 60: trace = 5.41447066607217 (1.58821e-10% change) linmin: converged after 2 iterations. iteration 61: trace = 5.414470666068269 (7.20619e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 elapsed time for k point: 0.16434597969055176 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.414034200818929 (0.770067% change) linmin: converged after 5 iterations. iteration 2: trace = 5.394129086431263 (0.368335% change) linmin: converged after 4 iterations. iteration 3: trace = 5.387838054235908 (0.116695% change) linmin: converged after 5 iterations. iteration 4: trace = 5.38573302126024 (0.0390777% change) linmin: converged after 4 iterations. iteration 5: trace = 5.385123764190084 (0.0113131% change) linmin: converged after 3 iterations. iteration 6: trace = 5.384850308348899 (0.00507812% change) linmin: converged after 5 iterations. iteration 7: trace = 5.384742385265687 (0.00200422% change) linmin: converged after 4 iterations. iteration 8: trace = 5.384707331033515 (0.000650994% change) linmin: converged after 4 iterations. iteration 9: trace = 5.384697125432801 (0.00018953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.384694738826758 (4.4322e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.384693738418337 (1.85787e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.384693341474321 (7.37171e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.384693264290627 (1.43339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.384693236314638 (5.19547e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.384693227539163 (1.62971e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.38469322265734 (9.06611e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.384693220298983 (4.37974e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.384693219444982 (1.58598e-08% change) linmin: converged after 17 iterations. iteration 19: trace = 5.384693219150675 (5.46562e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.384693219100485 (9.32088e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.384693219085565 (2.77075e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.384693219081496 (7.55613e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 elapsed time for k point: 0.07303595542907715 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.35566270802623 (0.460045% change) linmin: converged after 4 iterations. iteration 2: trace = 5.347222135070107 (0.157725% change) linmin: converged after 3 iterations. iteration 3: trace = 5.345410979037556 (0.0338767% change) linmin: converged after 3 iterations. iteration 4: trace = 5.344984997322681 (0.00796943% change) linmin: converged after 3 iterations. iteration 5: trace = 5.34487907677925 (0.0019817% change) linmin: converged after 9 iterations. iteration 6: trace = 5.344849146440742 (0.000559983% change) linmin: converged after 19 iterations. iteration 7: trace = 5.34483511527354 (0.000262518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.344829856084553 (9.83976e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 5.344828194804125 (3.1082e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.344827781913664 (7.72505e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.344827673972557 (2.01954e-06% change) linmin: converged after 21 iterations. iteration 12: trace = 5.344827628371221 (8.53186e-07% change) linmin: converged after 7 iterations. iteration 13: trace = 5.344827617785631 (1.98053e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.34482761452396 (6.10248e-08% change) linmin: converged after 29 iterations. iteration 15: trace = 5.344827613901648 (1.16433e-08% change) linmin: converged after 21 iterations. iteration 16: trace = 5.344827613761418 (2.62366e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.344827613731027 (5.68602e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.344827613719941 (2.0742e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.344827613715934 (7.49783e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 elapsed time for k point: 0.06364274024963379 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.340457320228623 (0.319238% change) linmin: converged after 4 iterations. iteration 2: trace = 5.334738355255368 (0.107145% change) linmin: converged after 3 iterations. iteration 3: trace = 5.333227635064889 (0.0283226% change) linmin: converged after 3 iterations. iteration 4: trace = 5.332794678919415 (0.00811842% change) linmin: converged after 4 iterations. iteration 5: trace = 5.332637699662876 (0.0029437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.332576391911257 (0.00114968% change) linmin: converged after 4 iterations. iteration 7: trace = 5.332547153504841 (0.000548299% change) linmin: converged after 3 iterations. iteration 8: trace = 5.332540332683702 (0.000127909% change) linmin: converged after 3 iterations. iteration 9: trace = 5.332539070811759 (2.36636e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.33253886203948 (3.91506e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.332538810551382 (9.65546e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 5.33253879005739 (3.8432e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.332538782348803 (1.44558e-07% change) linmin: converged after 10 iterations. iteration 14: trace = 5.332538778533806 (7.15419e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.332538777162949 (2.57074e-08% change) linmin: converged after 6 iterations. iteration 16: trace = 5.332538776747995 (7.78154e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.332538776643066 (1.96772e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.332538776603643 (7.39286e-10% change) linmin: converged after 10 iterations. iteration 19: trace = 5.332538776587452 (3.03636e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.332538776581439 (1.1276e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.332538776580063 (2.57999e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 elapsed time for k point: 0.0697317123413086 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.363396432905374 (0.284485% change) linmin: converged after 4 iterations. iteration 2: trace = 5.356814965977621 (0.122786% change) linmin: converged after 4 iterations. iteration 3: trace = 5.354076997915648 (0.0511249% change) linmin: converged after 4 iterations. iteration 4: trace = 5.352894701732656 (0.0220846% change) linmin: converged after 4 iterations. iteration 5: trace = 5.35244060041008 (0.00848365% change) linmin: converged after 4 iterations. iteration 6: trace = 5.352259473036305 (0.00338407% change) linmin: converged after 3 iterations. iteration 7: trace = 5.352189105551878 (0.00131473% change) linmin: converged after 4 iterations. iteration 8: trace = 5.352168902977461 (0.000377464% change) linmin: converged after 4 iterations. iteration 9: trace = 5.352160538189612 (0.000156288% change) linmin: converged after 4 iterations. iteration 10: trace = 5.352156103699549 (8.28542e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.352153672779482 (4.54195e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.352152330741616 (2.50747e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.352151885750048 (8.31425e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.352151731938056 (2.87383e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.352151681468188 (9.42983e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.35215166667883 (2.76325e-07% change) linmin: converged after 7 iterations. iteration 17: trace = 5.352151661664977 (9.36792e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.352151659840975 (3.40798e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.352151659337842 (9.40057e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.352151659154266 (3.42994e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.352151659081804 (1.35389e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.352151659049174 (6.09659e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.352151659038404 (2.01245e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.352151659035269 (5.8563e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 elapsed time for k point: 0.07938575744628906 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.408014214229959 (0.323637% change) linmin: converged after 5 iterations. iteration 2: trace = 5.395953624985706 (0.223262% change) linmin: converged after 5 iterations. iteration 3: trace = 5.388192869996253 (0.143929% change) linmin: converged after 5 iterations. iteration 4: trace = 5.383948420765395 (0.0788042% change) linmin: converged after 4 iterations. iteration 5: trace = 5.382101128031257 (0.034317% change) linmin: converged after 4 iterations. iteration 6: trace = 5.380826833882425 (0.0236793% change) linmin: converged after 4 iterations. iteration 7: trace = 5.379816112031413 (0.0187855% change) linmin: converged after 5 iterations. iteration 8: trace = 5.37889937435071 (0.0170418% change) linmin: converged after 4 iterations. iteration 9: trace = 5.378431618794505 (0.0086965% change) linmin: converged after 4 iterations. iteration 10: trace = 5.37828958778363 (0.00264079% change) linmin: converged after 4 iterations. iteration 11: trace = 5.378238168343272 (0.00095606% change) linmin: converged after 4 iterations. iteration 12: trace = 5.378217538790497 (0.000383575% change) linmin: converged after 4 iterations. iteration 13: trace = 5.378209482090194 (0.000149803% change) linmin: converged after 6 iterations. iteration 14: trace = 5.378206573501588 (5.4081e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 5.378205626014852 (1.76172e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 5.378205300789663 (6.04709e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.378205138261713 (3.02197e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.378205064148518 (1.37803e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 5.378205024912397 (7.29539e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 5.37820500815002 (3.11672e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.378205002382009 (1.07248e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.378204997047543 (9.91867e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.378204992784513 (7.92649e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 5.378204989224101 (6.62008e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 5.378204987266803 (3.63932e-08% change) linmin: converged after 24 iterations. iteration 26: trace = 5.37820498656018 (1.31386e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.378204986365549 (3.61887e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 5.378204986298534 (1.24606e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.378204986252792 (8.50508e-10% change) linmin: converged after 7 iterations. iteration 30: trace = 5.378204986222929 (5.55247e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.378204986206846 (2.99043e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.378204986199396 (1.38523e-10% change) linmin: converged after 11 iterations. iteration 33: trace = 5.378204986194199 (9.66258e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222 elapsed time for k point: 0.10834097862243652 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.330842291784633 (1.63265% change) linmin: converged after 5 iterations. iteration 2: trace = 5.294046123341276 (0.692641% change) linmin: converged after 4 iterations. iteration 3: trace = 5.284981234196242 (0.171375% change) linmin: converged after 4 iterations. iteration 4: trace = 5.282498119419701 (0.0469954% change) linmin: converged after 4 iterations. iteration 5: trace = 5.281616824738639 (0.0166847% change) linmin: converged after 4 iterations. iteration 6: trace = 5.281190026018594 (0.00808116% change) linmin: converged after 4 iterations. iteration 7: trace = 5.281060361590569 (0.00245524% change) linmin: converged after 4 iterations. iteration 8: trace = 5.281017317052751 (0.000815077% change) linmin: converged after 4 iterations. iteration 9: trace = 5.281001279428567 (0.000303685% change) linmin: converged after 3 iterations. iteration 10: trace = 5.280995051890289 (0.000117924% change) linmin: converged after 10 iterations. iteration 11: trace = 5.280992817488505 (4.23103e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.280991955892316 (1.6315e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.280991779814334 (3.33418e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.280991731376507 (9.17211e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.280991719857134 (2.18129e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.280991716887277 (5.62367e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.280991715662335 (2.31953e-08% change) linmin: converged after 23 iterations. iteration 18: trace = 5.280991715170661 (9.31026e-09% change) linmin: converged after 22 iterations. iteration 19: trace = 5.280991714932148 (4.51643e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.280991714863477 (1.30035e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.280991714843207 (3.8383e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 5.280991714835504 (1.45866e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.280991714829537 (1.12986e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.280991714822687 (1.29704e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.28099171481807 (8.74389e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 elapsed time for k point: 0.08271265029907227 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.134764281906492 (0.624371% change) linmin: converged after 5 iterations. iteration 2: trace = 5.124408367543085 (0.201886% change) linmin: converged after 4 iterations. iteration 3: trace = 5.12235773185049 (0.040025% change) linmin: converged after 3 iterations. iteration 4: trace = 5.12174424238861 (0.0119774% change) linmin: converged after 4 iterations. iteration 5: trace = 5.121558726682936 (0.00362219% change) linmin: converged after 4 iterations. iteration 6: trace = 5.121477742069775 (0.00158126% change) linmin: converged after 4 iterations. iteration 7: trace = 5.12144790474088 (0.000582594% change) linmin: converged after 4 iterations. iteration 8: trace = 5.121439718676669 (0.000159839% change) linmin: converged after 4 iterations. iteration 9: trace = 5.121437287250297 (4.74755e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.121436809310323 (9.33215e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.121436715075807 (1.84e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.121436685510688 (5.77282e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.121436680112647 (1.05401e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.121436678590913 (2.9713e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.121436678180303 (8.01748e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.121436678101739 (1.53402e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.121436678082406 (3.77491e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.121436678073879 (1.66504e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.121436678060035 (2.70315e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 5.121436678042874 (3.35072e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.121436678033494 (1.83153e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.121436678029978 (6.86584e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532 elapsed time for k point: 0.07283234596252441 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.994388823457364 (0.316337% change) linmin: converged after 4 iterations. iteration 2: trace = 4.990236163392892 (0.0831811% change) linmin: converged after 4 iterations. iteration 3: trace = 4.989513812263473 (0.0144763% change) linmin: converged after 5 iterations. iteration 4: trace = 4.989343647120124 (0.00341051% change) linmin: converged after 4 iterations. iteration 5: trace = 4.989291241669541 (0.00105035% change) linmin: converged after 4 iterations. iteration 6: trace = 4.989274244813457 (0.000340667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.989267787671144 (0.000129421% change) linmin: converged after 5 iterations. iteration 8: trace = 4.98926609792218 (3.38677e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.989265604082192 (9.89805e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.989265515601321 (1.77342e-06% change) linmin: converged after 22 iterations. iteration 11: trace = 4.989265501206935 (2.88507e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.989265496708835 (9.01555e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.98926549570401 (2.01397e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.989265495448889 (5.1134e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.989265495393171 (1.11674e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.989265495383629 (1.91262e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.989265495381122 (5.02544e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 elapsed time for k point: 0.05691075325012207 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.909138536841025 (0.232394% change) linmin: converged after 4 iterations. iteration 2: trace = 4.906563118930467 (0.0524755% change) linmin: converged after 4 iterations. iteration 3: trace = 4.906119641576844 (0.00903886% change) linmin: converged after 3 iterations. iteration 4: trace = 4.906037816819474 (0.00166782% change) linmin: converged after 3 iterations. iteration 5: trace = 4.906013084888643 (0.000504113% change) linmin: converged after 10 iterations. iteration 6: trace = 4.906007389591607 (0.000116088% change) linmin: converged after 8 iterations. iteration 7: trace = 4.906005834953523 (3.16885e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.90600540669845 (8.7292e-06% change) linmin: converged after 9 iterations. iteration 9: trace = 4.906005254385182 (3.10463e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.906005216417475 (7.73903e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.906005209418547 (1.4266e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.906005206803108 (5.3311e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.906005206252122 (1.12309e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.906005206142122 (2.24213e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.906005206125057 (3.47848e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.906005206120695 (8.89083e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708 elapsed time for k point: 0.05347132682800293 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.880387825183426 (0.204402% change) linmin: converged after 4 iterations. iteration 2: trace = 4.878237626562295 (0.0440677% change) linmin: converged after 4 iterations. iteration 3: trace = 4.877861752868415 (0.00770541% change) linmin: converged after 4 iterations. iteration 4: trace = 4.87779955496193 (0.00127511% change) linmin: converged after 2 iterations. iteration 5: trace = 4.877780932667065 (0.000381777% change) linmin: converged after 4 iterations. iteration 6: trace = 4.877777338735272 (7.36797e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.877776722798983 (1.26274e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.877776610093846 (2.31058e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.877776584075415 (5.33408e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.877776575591743 (1.73925e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.877776573289267 (4.72034e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.877776572070435 (2.49874e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.877776571775751 (6.04136e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 4.877776571718369 (1.17639e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.877776571708921 (1.93704e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.877776571705265 (7.49469e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735 elapsed time for k point: 0.05356621742248535 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.939234288026459 (0.398492% change) linmin: converged after 4 iterations. iteration 2: trace = 4.934705211880217 (0.091738% change) linmin: converged after 4 iterations. iteration 3: trace = 4.933808978362583 (0.0181635% change) linmin: converged after 4 iterations. iteration 4: trace = 4.933618724668674 (0.0038562% change) linmin: converged after 4 iterations. iteration 5: trace = 4.933561794539691 (0.00115393% change) linmin: converged after 6 iterations. iteration 6: trace = 4.933546467636372 (0.000310667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.933542429887031 (8.18428e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.933541498295165 (1.88828e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.933541269558869 (4.63635e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.933541218844876 (1.02794e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.933541212739488 (1.23753e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.933541210751458 (4.02962e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 4.9335412103081 (8.98661e-09% change) linmin: converged after 7 iterations. iteration 14: trace = 4.93354121023129 (1.55689e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.93354121021697 (2.9026e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 4.933541210214663 (4.67714e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665 elapsed time for k point: 0.05356121063232422 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.099507112162946 (0.487571% change) linmin: converged after 5 iterations. iteration 2: trace = 5.090581721310536 (0.175178% change) linmin: converged after 4 iterations. iteration 3: trace = 5.088071827630135 (0.0493168% change) linmin: converged after 4 iterations. iteration 4: trace = 5.087225562912054 (0.0166337% change) linmin: converged after 4 iterations. iteration 5: trace = 5.086961938952485 (0.00518221% change) linmin: converged after 4 iterations. iteration 6: trace = 5.086853665324287 (0.00212848% change) linmin: converged after 4 iterations. iteration 7: trace = 5.086807094856582 (0.000915511% change) linmin: converged after 3 iterations. iteration 8: trace = 5.086793518222227 (0.000266899% change) linmin: converged after 3 iterations. iteration 9: trace = 5.086790021445181 (6.87423e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.08678920338145 (1.60821e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.086789045520231 (3.10336e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.086788991806464 (1.05595e-06% change) linmin: converged after 21 iterations. iteration 13: trace = 5.086788981872507 (1.95289e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.086788979939779 (3.79951e-08% change) linmin: converged after 12 iterations. iteration 15: trace = 5.086788979425322 (1.01136e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.086788979343622 (1.60614e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.086788979319492 (4.74349e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.086788979306892 (2.47712e-10% change) linmin: converged after 8 iterations. iteration 19: trace = 5.086788979301441 (1.07155e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.086788979299679 (3.46416e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247 elapsed time for k point: 0.06652235984802246 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.309330906730185 (0.847184% change) linmin: converged after 5 iterations. iteration 2: trace = 5.280371277324416 (0.546939% change) linmin: converged after 4 iterations. iteration 3: trace = 5.269934727134918 (0.197844% change) linmin: converged after 4 iterations. iteration 4: trace = 5.265762219365082 (0.0792071% change) linmin: converged after 4 iterations. iteration 5: trace = 5.264459973518648 (0.0247335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.263804604149918 (0.0124497% change) linmin: converged after 3 iterations. iteration 7: trace = 5.263469633537593 (0.00636386% change) linmin: converged after 3 iterations. iteration 8: trace = 5.26332510873088 (0.00274585% change) linmin: converged after 5 iterations. iteration 9: trace = 5.263272539866877 (0.000998782% change) linmin: converged after 3 iterations. iteration 10: trace = 5.263261122021764 (0.000216935% change) linmin: converged after 3 iterations. iteration 11: trace = 5.263257754583083 (6.39801e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.263256795625345 (1.82199e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.263256607031204 (3.58322e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.263256551248045 (1.05986e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.263256530468793 (3.94798e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.263256521693534 (1.66727e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.263256515340482 (1.20706e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.263256513415704 (3.65701e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 5.263256512765325 (1.2357e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.26325651252615 (4.54425e-09% change) linmin: converged after 22 iterations. iteration 21: trace = 5.26325651238184 (2.74183e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.263256512320006 (1.17483e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 5.263256512296805 (4.40811e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.263256512290631 (1.17299e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.263256512288837 (3.40876e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602 elapsed time for k point: 0.08243656158447266 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.410850204125079 (1.34359% change) linmin: converged after 5 iterations. iteration 2: trace = 5.374437224940516 (0.675234% change) linmin: converged after 4 iterations. iteration 3: trace = 5.366093703686881 (0.155365% change) linmin: converged after 4 iterations. iteration 4: trace = 5.363891157761086 (0.041054% change) linmin: converged after 3 iterations. iteration 5: trace = 5.363304623244995 (0.0109355% change) linmin: converged after 3 iterations. iteration 6: trace = 5.363093120245416 (0.0039436% change) linmin: converged after 3 iterations. iteration 7: trace = 5.363009973967477 (0.00155035% change) linmin: converged after 5 iterations. iteration 8: trace = 5.362962308859946 (0.000888779% change) linmin: converged after 4 iterations. iteration 9: trace = 5.36292814899808 (0.000636961% change) linmin: converged after 4 iterations. iteration 10: trace = 5.362908167195258 (0.000372592% change) linmin: converged after 5 iterations. iteration 11: trace = 5.36289744556306 (0.000199922% change) linmin: converged after 14 iterations. iteration 12: trace = 5.362890832294543 (0.000123315% change) linmin: converged after 8 iterations. iteration 13: trace = 5.362888873060136 (3.65332e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.362888159902967 (1.3298e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.362887935137225 (4.19113e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.362887877004606 (1.08398e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.362887858604021 (3.4311e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 5.362887851988768 (1.23352e-07% change) linmin: converged after 7 iterations. iteration 19: trace = 5.362887849877557 (3.93671e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.362887849213481 (1.23828e-08% change) linmin: converged after 18 iterations. iteration 21: trace = 5.362887849013017 (3.73798e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.362887848952664 (1.12538e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.362887848922157 (5.68857e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.362887848904121 (3.36316e-10% change) linmin: converged after 23 iterations. iteration 25: trace = 5.362887848892485 (2.16973e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.3628878488858 (1.24659e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.362887848881172 (8.62858e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311 elapsed time for k point: 0.08894062042236328 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.461006864438431 (1.06365% change) linmin: converged after 5 iterations. iteration 2: trace = 5.43287145074271 (0.516536% change) linmin: converged after 5 iterations. iteration 3: trace = 5.422688497820124 (0.187608% change) linmin: converged after 5 iterations. iteration 4: trace = 5.417696175353642 (0.092106% change) linmin: converged after 3 iterations. iteration 5: trace = 5.416105680944066 (0.0293617% change) linmin: converged after 4 iterations. iteration 6: trace = 5.415171295312798 (0.0172535% change) linmin: converged after 4 iterations. iteration 7: trace = 5.414783176172479 (0.00716751% change) linmin: converged after 4 iterations. iteration 8: trace = 5.414648244036304 (0.00249195% change) linmin: converged after 4 iterations. iteration 9: trace = 5.414594483994404 (0.000992868% change) linmin: converged after 4 iterations. iteration 10: trace = 5.414576265048869 (0.000336479% change) linmin: converged after 4 iterations. iteration 11: trace = 5.414564861067752 (0.000210617% change) linmin: converged after 5 iterations. iteration 12: trace = 5.414555419969368 (0.000174365% change) linmin: converged after 22 iterations. iteration 13: trace = 5.414537376508164 (0.00033324% change) large trace change predicted (0.000679766%) linmin: converged after 5 iterations. iteration 14: trace = 5.41450055299978 (0.000680088% change) linmin: converged after 6 iterations. iteration 15: trace = 5.414478702493852 (0.000403556% change) linmin: converged after 4 iterations. iteration 16: trace = 5.414472728543198 (0.000110333% change) linmin: converged after 4 iterations. iteration 17: trace = 5.414471330541875 (2.58197e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 5.414470844198777 (8.98228e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 5.414470719354939 (2.30574e-06% change) linmin: converged after 9 iterations. iteration 20: trace = 5.414470681314292 (7.02574e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.414470670480571 (2.00088e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.414470667611987 (5.298e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414470666661462 (1.75553e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414470666362716 (5.51755e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.414470666267754 (1.75386e-09% change) linmin: converged after 5 iterations. iteration 26: trace = 5.414470666221952 (8.45911e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.414470666193717 (5.21476e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.414470666171711 (4.0642e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.414470666155404 (3.01174e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.414470666140545 (2.74435e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.414470666122156 (3.39624e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 5.414470666102801 (3.57471e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414470666086897 (2.93726e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.414470666075439 (2.11625e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 5.414470666069086 (1.17336e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 5.414470666066693 (4.41918e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 F.elapsed time for k point: 0.09747767448425293 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772992 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059654 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814894 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009817 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255618 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6689126424359764 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699239 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8170847453549143 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924542 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8826671164993851 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155063 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8832199143682118 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489807 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0660233597945281 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.087345829555554 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5781812856814894) to band 3 (0.5781815082009817), 3.848610374769843e-05% Gap from band 4 (0.8051999839699239) to band 5 (0.8170847453549143), 1.4651880980149015% Gap from band 7 (1.0580309832489807) to band 8 (1.0660233597945281), 0.7525585747580559% total elapsed time for run: 1.2702584266662598 done /tmp/meepREy4kN/test_epsilon_input_file-0: 1.27s /tmp/meepREy4kN/test_first_brillouin_zone-0 ======================== /tmp/meepREy4kN/test_first_brillouin_zone-0: 0.11s /tmp/meepREy4kN/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 4 x 4 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.1, 0, 0) (0, 0.1, 0) (0, 0, 1) Cell volume = 0.01 Reciprocal lattice vectors (/ 2 pi): (10, -0, 0) (-0, 10, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 9 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00020837783813476562 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... linmin: converged after 9 iterations. iteration 1: trace = 94.48114237152929 (61.751% change) linmin: converged after 7 iterations. iteration 2: trace = 83.8504910917422 (11.9223% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 52.8302%) iteration 3: trace = 83.3461110942816 (0.603338% change) iteration 4: trace = 83.3335997859713 (0.0150124% change) iteration 5: trace = 83.33333949085052 (0.000312354% change) iteration 6: trace = 83.33333352466033 (7.15943e-06% change) iteration 7: trace = 83.33333333657092 (2.25707e-07% change) iteration 8: trace = 83.33333333338274 (3.82581e-09% change) iteration 9: trace = 83.33333333333437 (5.80485e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 elapsed time for k point: 0.000982046127319336 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. iteration 1: trace = 82.33333333334654 (0.722248% change) linmin: converged after 2 iterations. iteration 2: trace = 82.33333333333381 (1.54651e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 elapsed time for k point: 0.0006320476531982422 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82.66666666666671 (5.67288e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 elapsed time for k point: 0.00016117095947265625 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (3.37016e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 elapsed time for k point: 0.0001506805419921875 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 57.7465%) iteration 1: trace = 87.33333333333333 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 elapsed time for k point: 0.00017642974853515625 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.66666666666669 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 elapsed time for k point: 0.00017070770263671875 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 8 iterations. switching to approximate line minimization (decrease time by 62.7907%) iteration 1: trace = 90.66666666676359 (3.571% change) iteration 2: trace = 90.66666762987174 (1.06225e-06% change) iteration 3: trace = 90.66666666666723 (1.06236e-06% change) iteration 4: trace = 90.66666666666674 (5.32907e-13% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 elapsed time for k point: 0.0003237724304199219 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.00000000000001 (7.80816e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 elapsed time for k point: 0.000156402587890625 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 92.66666666666667 (1.53355e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 elapsed time for k point: 0.00015020370483398438 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 46 iterations. iteration 1: trace = 95.66666666666666 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 elapsed time for k point: 0.00037217140197753906 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 57.3529%) iteration 1: trace = 100 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435 elapsed time for k point: 0.00017642974853515625 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 elapsed time for k point: 0.00016570091247558594 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 46 iterations. iteration 1: trace = 85.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 elapsed time for k point: 0.00037860870361328125 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 elapsed time for k point: 0.00015306472778320312 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 40 iterations. iteration 1: trace = 81.33333333333334 (1.74724e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 elapsed time for k point: 0.0003478527069091797 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 33 iterations. iteration 1: trace = 83.33333333333334 (0% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 .elapsed time for k point: 0.0002682209014892578 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.041241452319313 at Vector3<0.5, 0.5, 0.0> Band 2 range: 1.443375672974069 at Vector3<0.5, 0.0, 0.0> to 2.886751345948136 at Vector3<0.0, 0.0, 0.0> Band 3 range: 2.041241452319315 at Vector3<0.5, 0.5, 0.0> to 3.227486121839512 at Vector3<0.5, 0.0, 0.0> Band 4 range: 2.041241452319317 at Vector3<0.5, 0.5, 0.0> to 3.265986323710903 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 2.8867513459481304 at Vector3<0.0, 0.0, 0.0> to 4.564354645876378 at Vector3<0.5, 0.5, 0.0> Band 6 range: 3.2274861218395166 at Vector3<0.5, 0.0, 0.0> to 4.564354645876382 at Vector3<0.5, 0.5, 0.0> Band 7 range: 3.696845502136475 at Vector3<0.2, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665331 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.005366325378417969 done /tmp/meepREy4kN/test_fractional_lattice-0: 0.01s /tmp/meepREy4kN/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013740062713623047 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14104485511779785 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.39132118225097656 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08648061752319336 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.0793600082397461 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09203028678894043 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14412641525268555 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10926938056945801 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09262204170227051 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0800015926361084 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07626056671142578 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07664728164672852 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06087064743041992 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07089519500732422 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09673190116882324 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11305594444274902 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.25553059577941895 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9687755107879639 done Fixing b-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 ./tmp/meepREy4kN/test_get_bfield-0: 1.97s /tmp/meepREy4kN/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013926029205322266 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14209485054016113 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.41240358352661133 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08717846870422363 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08025097846984863 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.0926520824432373 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1441810131072998 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1087954044342041 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.0925905704498291 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07954764366149902 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07593464851379395 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07592082023620605 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06020927429199219 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06990456581115723 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09526467323303223 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11182188987731934 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24912142753601074 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.98044753074646 done Fixing d-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 8.66842 ./tmp/meepREy4kN/test_get_dfield-0: 1.98s /tmp/meepREy4kN/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013813972473144531 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1404869556427002 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3914182186126709 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.0862581729888916 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07938408851623535 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09195184707641602 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14332270622253418 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10846352577209473 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.0921471118927002 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07945013046264648 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.075958251953125 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07578325271606445 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.060088396072387695 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06975007057189941 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09536480903625488 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11152863502502441 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24937200546264648 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9532732963562012 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 ./tmp/meepREy4kN/test_get_efield-0: 1.96s /tmp/meepREy4kN/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013782978057861328 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1405961513519287 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 0.925589 + 0.37853i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 0.921393 + 0.388632i; max ampl. = 1.75894 Fixing h-field (band 6) phase by -0.798747 + 0.601666i; max ampl. = 3.7555 Fixing h-field (band 7) phase by -0.914893 + 0.403697i; max ampl. = 3.75555 Fixing h-field (band 8) phase by -0.0496898 + 0.998765i; max ampl. = 4.48388 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 5.581244026696292 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490351 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957673 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526859 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966758 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299268 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.56798196012209 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607941 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567469488484445 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806203 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766411 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393766 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003681 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969306 (5.15562e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.56740877689189 (2.19272e-06% change) linmin: converged after 14 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.56740870472469 (3.30164e-07% change) linmin: converged after 5 iterations. iteration 20: trace = 5.567408695925265 (1.58052e-07% change) linmin: converged after 18 iterations. iteration 21: trace = 5.567408689562832 (1.1428e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.567408680883109 (1.55902e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 5.567408666017922 (2.67004e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645087862 (3.75939e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 5.567408614757096 (5.44791e-07% change) large trace change predicted (2.01092e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502816416 (2.01064e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934835523604 (0.00850822% change) linmin: converged after 7 iterations. iteration 28: trace = 5.566934530343008 (5.48202e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.566934225147977 (5.48228e-06% change) linmin: converged after 8 iterations. iteration 30: trace = 5.566933920036067 (5.48079e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693361509334 (5.47775e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.56693331039379 (5.47338e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933006000246 (5.46789e-06% change) linmin: converged after 4 iterations. iteration 34: trace = 5.566932701965428 (5.46144e-06% change) linmin: converged after 8 iterations. iteration 35: trace = 5.566932398332735 (5.45422e-06% change) linmin: converged after 8 iterations. iteration 36: trace = 5.566932095137195 (5.44637e-06% change) linmin: converged after 8 iterations. iteration 37: trace = 5.566931792406258 (5.43802e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931490160487 (5.42931e-06% change) linmin: converged after 6 iterations. iteration 39: trace = 5.566931188414395 (5.42033e-06% change) linmin: converged after 7 iterations. iteration 40: trace = 5.566930887176978 (5.41119e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930586452395 (5.40198e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930286240471 (5.39277e-06% change) linmin: converged after 9 iterations. iteration 43: trace = 5.566929986537181 (5.38364e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929687335154 (5.37463e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692938862407 (5.36581e-06% change) linmin: converged after 11 iterations. iteration 46: trace = 5.566929090391031 (5.35723e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.56692879262083 (5.34891e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 5.566928495296353 (5.34091e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928198378974 (5.33359e-06% change) linmin: converged after 24 iterations. iteration 50: trace = 5.566927901887999 (5.32594e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927605763643 (5.31935e-06% change) linmin: converged after 12 iterations. iteration 52: trace = 5.566927310020358 (5.3125e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927014600721 (5.30669e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 5.566926719511573 (5.30075e-06% change) linmin: converged after 9 iterations. iteration 55: trace = 5.566926424712653 (5.29554e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.566926130166101 (5.29101e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 5.566925835871702 (5.28648e-06% change) linmin: converged after 9 iterations. iteration 58: trace = 5.566925541790937 (5.28264e-06% change) linmin: converged after 10 iterations. iteration 59: trace = 5.566925247897712 (5.27927e-06% change) linmin: converged after 6 iterations. iteration 60: trace = 5.566924954156915 (5.27654e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 5.566924660552115 (5.27409e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924367064406 (5.27199e-06% change) linmin: converged after 11 iterations. iteration 63: trace = 5.566924073659454 (5.2705e-06% change) linmin: converged after 12 iterations. iteration 64: trace = 5.566923780311137 (5.26949e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923486988138 (5.26903e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923193675325 (5.26885e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922900337394 (5.2693e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922606953678 (5.27012e-06% change) linmin: converged after 6 iterations. iteration 69: trace = 5.566922313501016 (5.27136e-06% change) resetting CG direction... large trace change predicted (0.0754154%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718699289037 (0.0755391% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516817389784 (0.0575762% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793179139252 (0.0490026% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012045602661 (0.0500618% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007094045905 (0.0361057% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549057842941 (0.0262649% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458397204102 (0.0196515% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474953700598 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115187955224 (0.02451% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236368598172 (0.0338759% change) linmin: converged after 9 iterations. iteration 80: trace = 5.543229142567636 (0.0362039% change) linmin: converged after 10 iterations. iteration 81: trace = 5.541884517727373 (0.02426% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240187846709 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832178757127 (0.00736341% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632129926411 (0.00361051% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551229245906 (0.00146015% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984637142 (0.000600025% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595613592 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181743341 (7.96655e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522107331 (2.99546e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500790404958 (1.32064e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500268932853 (9.412e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499832064119 (7.88501e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499529384537 (5.46304e-06% change) linmin: converged after 8 iterations. iteration 94: trace = 5.540499207175216 (5.81553e-06% change) linmin: converged after 10 iterations. iteration 95: trace = 5.540498785286145 (7.61464e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246106514 (9.73161e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716467954 (9.5594e-06% change) linmin: converged after 11 iterations. iteration 98: trace = 5.540497530058075 (3.3645e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433477556 (1.74317e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 5.540497373258972 (1.08688e-06% change) linmin: converged after 19 iterations. iteration 101: trace = 5.540497321020577 (9.42847e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282526125 (6.94783e-07% change) linmin: converged after 19 iterations. iteration 103: trace = 5.540497260437016 (3.98685e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241875 (1.84011e-07% change) linmin: converged after 7 iterations. iteration 105: trace = 5.540497245841268 (7.94262e-08% change) linmin: converged after 22 iterations. iteration 106: trace = 5.540497244298022 (2.78539e-08% change) linmin: converged after 20 iterations. iteration 107: trace = 5.54049724357753 (1.30041e-08% change) linmin: converged after 17 iterations. iteration 108: trace = 5.540497243251986 (5.87572e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063252 (3.40644e-09% change) linmin: converged after 15 iterations. iteration 110: trace = 5.5404972429578 (1.9033e-09% change) linmin: converged after 9 iterations. iteration 111: trace = 5.540497242914308 (7.84973e-10% change) linmin: converged after 5 iterations. iteration 112: trace = 5.54049724287935 (6.30967e-10% change) linmin: converged after 7 iterations. iteration 113: trace = 5.540497242844003 (6.37972e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790192 (9.71234e-10% change) linmin: converged after 8 iterations. iteration 115: trace = 5.540497242723097 (1.21099e-09% change) linmin: converged after 5 iterations. iteration 116: trace = 5.5404972426584 (1.16771e-09% change) linmin: converged after 21 iterations. iteration 117: trace = 5.540497242618865 (7.13573e-10% change) linmin: converged after 9 iterations. iteration 118: trace = 5.540497242597718 (3.81674e-10% change) linmin: converged after 6 iterations. iteration 119: trace = 5.540497242587055 (1.92464e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 5.540497242581504 (1.00176e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579402 (3.79446e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.39182138442993164 Fixing h-field (band 1) phase by -1 + 2.59125e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113246i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000421577 + -1i; max ampl. = 3.73536 Fixing h-field (band 4) phase by -0.000253674 + -1i; max ampl. = 4.23726 Fixing h-field (band 5) phase by -1 + -7.07656e-05i; max ampl. = 1.49733 Fixing h-field (band 6) phase by 0.000414254 + 1i; max ampl. = 3.68915 Fixing h-field (band 7) phase by 2.53933e-05 + 1i; max ampl. = 2.46425 Fixing h-field (band 8) phase by 0.999999 + -0.00135077i; max ampl. = 4.67306 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081904197 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029238665 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032114 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774016 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600184 (0.00664425% change) linmin: converged after 4 iterations. iteration 6: trace = 5.499421768472725 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071745 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903555 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644882 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354394 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158939 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065395 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510659 (2.44673e-06% change) linmin: converged after 25 iterations. iteration 14: trace = 5.499374968565679 (8.71826e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.49937495268447 (2.88782e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.499374947904288 (8.69223e-08% change) linmin: converged after 7 iterations. iteration 17: trace = 5.499374946845077 (1.92606e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.499374946585432 (4.72137e-09% change) linmin: converged after 15 iterations. iteration 19: trace = 5.499374946459587 (2.28835e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.499374946407666 (9.44128e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.499374946373184 (6.27012e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.499374946343337 (5.42723e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.499374946309959 (6.06953e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288361 (3.92733e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55853e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08574414253234863 Fixing h-field (band 1) phase by 1 + -4.11365e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.201e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10219e-09 + 1i; max ampl. = 2.65638 Fixing h-field (band 4) phase by 2.2004e-08 + -1i; max ampl. = 4.33159 Fixing h-field (band 5) phase by -8.62525e-10 + 1i; max ampl. = 4.52032 Fixing h-field (band 6) phase by -4.01015e-08 + -1i; max ampl. = 3.38228 Fixing h-field (band 7) phase by -1 + -6.37197e-10i; max ampl. = 2.75759 Fixing h-field (band 8) phase by -1 + -3.09712e-06i; max ampl. = 4.29116 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070073415 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187258 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.48705611194667 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972764 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583154 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149402 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235695 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.48546977263449 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450177 (0.000140848% change) linmin: converged after 5 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302667 (1.14345e-05% change) linmin: converged after 26 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.485459100856722 (4.07767e-07% change) linmin: converged after 9 iterations. iteration 15: trace = 5.485459090161544 (1.94973e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.485459083892637 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.25869e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.48545908063929 (1.67216e-08% change) linmin: converged after 22 iterations. iteration 19: trace = 5.485459080258169 (6.94786e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162864 (1.73741e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117765 (8.2214e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.485459080098437 (3.5236e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.485459080091234 (1.31313e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087866 (6.13982e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07934188842773438 Fixing h-field (band 1) phase by 1 + 7.44546e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -1.25145e-13i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.75073e-13i; max ampl. = 2.62315 Fixing h-field (band 4) phase by 8.09049e-10 + 1i; max ampl. = 4.45542 Fixing h-field (band 5) phase by 1.14858e-13 + -1i; max ampl. = 5.0129 Fixing h-field (band 6) phase by -8.93338e-10 + 1i; max ampl. = 2.79024 Fixing h-field (band 7) phase by 1 + -1.81983e-14i; max ampl. = 2.99991 Fixing h-field (band 8) phase by -1 + 1.50887e-08i; max ampl. = 3.46534 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023686845 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601550851 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987764577 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809282725 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433401 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742667397 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728544 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831476 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534786 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715216 (0.000137015% change) linmin: converged after 4 iterations. iteration 11: trace = 5.504370385450914 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323706 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496819 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098138 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759298 (8.49034e-06% change) linmin: converged after 10 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.504362167575552 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222023 (3.57677e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.504362095716725 (1.18184e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490904 (4.04374e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750774 (1.34463e-08% change) linmin: converged after 16 iterations. iteration 23: trace = 5.504362092362593 (7.05224e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 5.504362092126029 (4.29775e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030187 (1.74121e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.504362091995301 (6.33786e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.504362091984241 (2.00924e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09197521209716797 Fixing h-field (band 1) phase by 1 + 9.1952e-18i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -1.24699e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.89889e-15i; max ampl. = 3.69829 Fixing h-field (band 4) phase by 7.09972e-12 + -1i; max ampl. = 4.56151 Fixing h-field (band 5) phase by 1.02753e-14 + -1i; max ampl. = 5.08436 Fixing h-field (band 6) phase by 9.2813e-12 + 1i; max ampl. = 1.72494 Fixing h-field (band 7) phase by -1 + -1.59659e-14i; max ampl. = 3.24171 Fixing h-field (band 8) phase by 3.93792e-11 + -1i; max ampl. = 3.16645 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373816362 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679619856 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373176 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343177978 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180043 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600309 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565389 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740501 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685004 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443202 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714559 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259601 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189773 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693475 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652964 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689267 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647871 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294862 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327792 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295133 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 5.538867707344394 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530767222 (3.18797e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.53886739246091 (2.49701e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282535859 (1.98461e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196565556 (1.55213e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786442 (1.60284e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688868 (2.11411e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904155147 (1.5623e-06% change) linmin: converged after 10 iterations. iteration 30: trace = 5.538866877341245 (4.84104e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 5.538866871036468 (1.13828e-07% change) linmin: converged after 5 iterations. iteration 32: trace = 5.53886686954973 (2.68419e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090199 (8.29648e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868884011 (3.72257e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762681 (2.19051e-09% change) linmin: converged after 9 iterations. iteration 36: trace = 5.53886686869315 (1.25533e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641546 (9.31672e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615201 (4.75641e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605639 (1.72637e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600092 (1.00141e-10% change) linmin: converged after 21 iterations. iteration 41: trace = 5.538866868590822 (1.67361e-10% change) linmin: converged after 5 iterations. iteration 42: trace = 5.538866868573498 (3.1277e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559324 (2.55909e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.538866868553962 (9.68056e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14405083656311035 Fixing h-field (band 1) phase by 1 + -8.3688e-17i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 2.73398e-18i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + 2.92499e-15i; max ampl. = 4.1103 Fixing h-field (band 4) phase by 2.45632e-12 + -1i; max ampl. = 4.60286 Fixing h-field (band 5) phase by -9.60915e-15 + -1i; max ampl. = 4.98821 Fixing h-field (band 6) phase by 1 + -2.31593e-12i; max ampl. = 2.6134 Fixing h-field (band 7) phase by 1 + 1.9262e-14i; max ampl. = 4.2595 Fixing h-field (band 8) phase by 2.44455e-12 + 1i; max ampl. = 3.64602 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033777615 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081945518 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780923792 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922754058 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.42156545108918 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496871733 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757032539 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055600301 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792744 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109974 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680911 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901301 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057772 (5.90214e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.41979814967787 (1.5395e-05% change) linmin: converged after 11 iterations. iteration 15: trace = 5.419797850965186 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322768 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546705 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573499 (1.84014e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.419797735608417 (5.47084e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734088984 (2.80349e-08% change) linmin: converged after 21 iterations. iteration 21: trace = 5.419797733507753 (1.07242e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.419797733261658 (4.54066e-09% change) linmin: converged after 11 iterations. iteration 23: trace = 5.419797733151182 (2.0384e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102891 (8.90997e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 5.419797733077007 (4.77586e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.419797733054168 (4.21409e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031984 (4.09298e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.41979773301672 (2.81638e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797733003427 (2.45274e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 5.419797732989453 (2.57827e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963328 (1.94423e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958387 (9.11646e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10843753814697266 Fixing h-field (band 1) phase by 1 + -2.73517e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + -6.3175e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + 2.50805e-13i; max ampl. = 3.95334 Fixing h-field (band 4) phase by -8.06083e-13 + 1i; max ampl. = 4.50492 Fixing h-field (band 5) phase by -1.53823e-14 + -1i; max ampl. = 4.84663 Fixing h-field (band 6) phase by -2.83277e-16 + -1i; max ampl. = 1.79067 Fixing h-field (band 7) phase by 2.4431e-13 + 1i; max ampl. = 3.04657 Fixing h-field (band 8) phase by 1 + 1.48863e-12i; max ampl. = 4.1605 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098775 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345183182 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588963 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571972 (0.0200646% change) linmin: converged after 4 iterations. iteration 5: trace = 5.241214212212872 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880097 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573597 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.24087174159758 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765969 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 5.240854364699085 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786505 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321847 (1.51625e-06% change) linmin: converged after 10 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.240853950743166 (6.91046e-08% change) linmin: converged after 14 iterations. iteration 16: trace = 5.240853949555026 (2.26707e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 5.240853949179415 (7.16697e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.240853949031692 (2.81869e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.240853948976929 (1.04493e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.07139e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07549e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.240853948833732 (9.49688e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802545 (5.95067e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778208 (4.6437e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757247 (3.99954e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.24085394874231 (2.85018e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735854 (1.23189e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.240853948733923 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09218740463256836 Fixing h-field (band 1) phase by 1 + 5.7372e-16i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + 9.3105e-13i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + 6.29261e-13i; max ampl. = 3.50756 Fixing h-field (band 4) phase by -5.25985e-12 + 1i; max ampl. = 4.25492 Fixing h-field (band 5) phase by -7.83279e-15 + 1i; max ampl. = 4.10702 Fixing h-field (band 6) phase by -5.16826e-15 + 1i; max ampl. = 3.1563 Fixing h-field (band 7) phase by 1.72513e-12 + 1i; max ampl. = 3.26912 Fixing h-field (band 8) phase by -1 + -3.37843e-12i; max ampl. = 4.78292 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984913334 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052906 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866141 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833586 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.09661672198651 (0.00298415% change) linmin: converged after 5 iterations. iteration 6: trace = 5.096573167031523 (0.000854589% change) linmin: converged after 4 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978203 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143689 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659975 (2.58582e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.096544274637563 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71732e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707483 (1.16754e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672398 (6.88404e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.92228e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.096544273547274 (1.46285e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.096544273463897 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.39936e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414496 (2.29358e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.096544273410623 (7.59995e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07899880409240723 Fixing h-field (band 1) phase by -1 + 7.04169e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + -1.57493e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by -1 + -8.3309e-13i; max ampl. = 2.78416 Fixing h-field (band 4) phase by -6.94462e-15 + -1i; max ampl. = 2.53227 Fixing h-field (band 5) phase by -5.94331e-12 + 1i; max ampl. = 3.9265 Fixing h-field (band 6) phase by -7.3887e-15 + -1i; max ampl. = 4.52548 Fixing h-field (band 7) phase by -1.34735e-11 + -1i; max ampl. = 3.4739 Fixing h-field (band 8) phase by -1 + 7.4233e-12i; max ampl. = 4.9086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910328 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962015 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252272 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190485 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301295 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.006443503180207 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863524 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672484 (6.60426e-06% change) linmin: converged after 28 iterations. iteration 11: trace = 5.006436539138805 (1.98811e-06% change) linmin: converged after 12 iterations. iteration 12: trace = 5.006436508297357 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318631 (1.79344e-07% change) linmin: converged after 23 iterations. iteration 14: trace = 5.006436497214725 (4.2024e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812788 (8.02841e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.00643649671343 (1.9846e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.006436496632907 (8.13359e-10% change) large trace change predicted (2.20202e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.006436496522667 (2.20196e-09% change) linmin: converged after 12 iterations. iteration 20: trace = 5.006436496410068 (2.24908e-09% change) linmin: converged after 10 iterations. iteration 21: trace = 5.006436496357244 (1.05513e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.006436496344438 (2.55786e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.08507e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07633042335510254 Fixing h-field (band 1) phase by 1 + -1.79442e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -4.56205e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + 9.55568e-16i; max ampl. = 1.66014 Fixing h-field (band 4) phase by 1 + -4.82846e-11i; max ampl. = 1.64641 Fixing h-field (band 5) phase by -1.58264e-14 + 1i; max ampl. = 3.54599 Fixing h-field (band 6) phase by -1.90024e-11 + -1i; max ampl. = 4.96988 Fixing h-field (band 7) phase by -2.78168e-14 + 1i; max ampl. = 3.72139 Fixing h-field (band 8) phase by 1 + 9.38093e-14i; max ampl. = 4.85167 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.97899375042192 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350138666 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668872994 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931619 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.97599920536234 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.9759871531917 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125811 (4.0958e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.975984462449321 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964288 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211398 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705353 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802621 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.97598426749548 (8.65586e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893696 (5.40348e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819601 (1.48906e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774339 (9.096e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706847 (1.35635e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533269 (3.48832e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426871 (2.13822e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74115e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384496 (1.77476e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381781 (5.45653e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07591390609741211 Fixing h-field (band 1) phase by 1 + -1.87958e-17i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.02546e-13i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.01376e-13 + 1i; max ampl. = 1.85505 Fixing h-field (band 4) phase by 1 + -2.52601e-11i; max ampl. = 1.90199 Fixing h-field (band 5) phase by -1 + -4.64546e-15i; max ampl. = 3.83362 Fixing h-field (band 6) phase by 1.22076e-11 + 1i; max ampl. = 4.82728 Fixing h-field (band 7) phase by -2.07462e-12 + -1i; max ampl. = 5.11981 Fixing h-field (band 8) phase by 1 + 8.40396e-14i; max ampl. = 4.68981 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841112 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352593 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 4 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251282 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323872 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300829 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34381e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128378 (1.55433e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.036378479954632 (3.44983e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909362 (8.98852e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898018 (2.25238e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 5.036378479895266 (5.46517e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.0599207878112793 Fixing h-field (band 1) phase by 1 + -4.27711e-17i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.20874e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -8.38065e-10 + -1i; max ampl. = 1.92561 Fixing h-field (band 4) phase by -5.05322e-16 + -1i; max ampl. = 1.49149 Fixing h-field (band 5) phase by -1.83759e-15 + 1i; max ampl. = 3.30734 Fixing h-field (band 6) phase by -4.16721e-11 + -1i; max ampl. = 5.21642 Fixing h-field (band 7) phase by 5.05322e-16 + 1i; max ampl. = 3.66792 Fixing h-field (band 8) phase by 1 + 7.01609e-10i; max ampl. = 4.83365 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329344 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524669 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119654 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347321 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445593 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487764 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181517 (0.00049% change) linmin: converged after 4 iterations. iteration 9: trace = 5.206571394211565 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670577 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.20656674144837 (2.07473e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 20 iterations. iteration 14: trace = 5.206566313192126 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.206566308082134 (9.81452e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.206566306507289 (3.02473e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040202 (8.97113e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927631 (2.16209e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29761e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.20656630589373 (1.21356e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891688 (3.92353e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06994509696960449 Fixing h-field (band 1) phase by 1 + 1.28137e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + 5.34357e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -5.2077e-10 + 1i; max ampl. = 2.16532 Fixing h-field (band 4) phase by -1.61932e-13 + 1i; max ampl. = 3.56127 Fixing h-field (band 5) phase by -1.67146e-14 + 1i; max ampl. = 2.47045 Fixing h-field (band 6) phase by 5.21701e-09 + 1i; max ampl. = 5.05859 Fixing h-field (band 7) phase by -9.29984e-13 + -1i; max ampl. = 3.23411 Fixing h-field (band 8) phase by 1 + 6.91201e-10i; max ampl. = 4.7734 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756293992 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812739307 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622411479 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356550667 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971023 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855462 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333846 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574961 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.41726912939794 (0.00376953% change) linmin: converged after 5 iterations. iteration 10: trace = 5.417145557811525 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895446 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907003 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.417088991729021 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.417088858207657 (2.46482e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.417088812132402 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744951 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389878 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680259 (1.054e-07% change) linmin: converged after 5 iterations. iteration 21: trace = 5.417088768321157 (4.35492e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370204 (1.75547e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.41708876692841 (8.15556e-09% change) linmin: converged after 10 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 10 iterations. iteration 25: trace = 5.417088766554598 (2.33997e-09% change) linmin: converged after 10 iterations. iteration 26: trace = 5.417088766462989 (1.69112e-09% change) linmin: converged after 11 iterations. iteration 27: trace = 5.417088766423705 (7.25189e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.417088766412562 (2.05686e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409225 (6.16157e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09543418884277344 Fixing h-field (band 1) phase by 1 + 1.45835e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -3.55376e-15i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -7.62302e-11 + 1i; max ampl. = 2.6696 Fixing h-field (band 4) phase by -5.8459e-14 + 1i; max ampl. = 3.93612 Fixing h-field (band 5) phase by 8.36458e-11 + -1i; max ampl. = 4.6489 Fixing h-field (band 6) phase by 8.27688e-15 + -1i; max ampl. = 2.84446 Fixing h-field (band 7) phase by -1 + 4.51329e-15i; max ampl. = 3.74182 Fixing h-field (band 8) phase by -1 + 1.45602e-10i; max ampl. = 4.03853 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178997475 (1.22609% change) linmin: converged after 6 iterations. iteration 2: trace = 5.549498902382941 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640711227 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157937 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091515 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860524 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.52292105521615 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379669 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667835 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.52254069646597 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191286 (0.00170514% change) linmin: converged after 8 iterations. iteration 12: trace = 5.522358366920831 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118334 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461869 (0.000382933% change) linmin: converged after 5 iterations. iteration 15: trace = 5.522271218168351 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619550511 (4.70571e-05% change) linmin: converged after 14 iterations. iteration 17: trace = 5.52226795829274 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758809014 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563947 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644702 (4.33142e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656938316 (1.93877e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032532 (7.07279e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435404 (4.70301e-08% change) linmin: converged after 32 iterations. iteration 24: trace = 5.522267648929526 (2.72692e-08% change) linmin: converged after 24 iterations. iteration 25: trace = 5.522267648122488 (1.46142e-08% change) linmin: converged after 16 iterations. iteration 26: trace = 5.52226764745812 (1.20307e-08% change) linmin: converged after 8 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 16 iterations. iteration 28: trace = 5.5222676462904 (9.63754e-09% change) linmin: converged after 5 iterations. iteration 29: trace = 5.522267645965358 (5.88603e-09% change) linmin: converged after 5 iterations. iteration 30: trace = 5.522267645803391 (2.93299e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 5.522267645716788 (1.56825e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679249 (6.79773e-10% change) linmin: converged after 2 iterations. iteration 33: trace = 5.522267645667601 (2.10936e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664741 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.111663818359375 Fixing h-field (band 1) phase by 1 + -6.59241e-17i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 2.71862e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by 2.63682e-10 + 1i; max ampl. = 3.59476 Fixing h-field (band 4) phase by -6.12323e-17 + -1i; max ampl. = 4.14887 Fixing h-field (band 5) phase by -1 + -2.57093e-10i; max ampl. = 1.36944 Fixing h-field (band 6) phase by -9.0023e-13 + 1i; max ampl. = 3.24838 Fixing h-field (band 7) phase by 3.18418e-12 + -1i; max ampl. = 2.57459 Fixing h-field (band 8) phase by 1 + -1.48388e-15i; max ampl. = 4.85277 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.62341534369291 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799225 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640940337 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172742819 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.57161873626484 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107768875 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898397 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656419794 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950425 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401032 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880778756 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664431215 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.56913350253315 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283174022 (0.00806656% change) near maximum in trace linmin: converged after 11 iterations. iteration 15: trace = 5.566399673351522 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201605374 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388825232 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784843896 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008468074 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637398427 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630801959 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618236061 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244586609 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586694767 (0.0210687% change) linmin: converged after 6 iterations. iteration 25: trace = 5.554798721104044 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114278892 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036027672 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677030462 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583829627 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970112273 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061024367 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957025719 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590488221 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526820524 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677434417 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864325197214 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189085463 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717952991 (0.002837% change) linmin: converged after 4 iterations. iteration 39: trace = 5.550390745016765 (0.00264794% change) linmin: converged after 4 iterations. iteration 40: trace = 5.550253430569195 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903540151 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421846708 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461704793 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756741302 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477347372 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231303523 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437749279 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430732277 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300352011 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831719784 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789454556 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392897125 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424469458 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.54907895413011 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214418771 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603435091 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441469369 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438507597 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472344308 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214321412 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940491089 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719124848 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070105016 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460562136 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157925546 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782844302 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723873994 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403346127 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919688256 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976735944 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222550427 (0.00176188% change) linmin: converged after 6 iterations. iteration 72: trace = 5.54818008109459 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373793321 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.548148375778253 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673477653 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864895084 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.54813883704804 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943205 (7.65593e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 5.548128746383531 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649320854 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114632 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.548119009802893 (3.47742e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253436 (1.34689e-05% change) linmin: converged after 7 iterations. iteration 84: trace = 5.548117907882045 (6.3923e-06% change) linmin: converged after 23 iterations. iteration 85: trace = 5.548117802015849 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686875 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54811772942818 (2.20952e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.548117726415589 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 6 iterations. iteration 90: trace = 5.548117725372829 (3.89394e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334797 (6.8549e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 5.548117725327034 (1.39916e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324982 (3.6996e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24893999099731445 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + -2.32469e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -3.17397e-12 + 1i; max ampl. = 4.27896 Fixing h-field (band 4) phase by -5.91748e-10 + 1i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 1 + 4.76468e-09i; max ampl. = 1.75894 Fixing h-field (band 6) phase by 6.59899e-11 + -1i; max ampl. = 3.7555 Fixing h-field (band 7) phase by 1.31526e-10 + -1i; max ampl. = 3.75555 Fixing h-field (band 8) phase by 1 + -6.90848e-14i; max ampl. = 4.48388 .Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489816 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44158844972254385 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069743 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757014 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677085 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502149 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855883 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660692 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650196 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.086072932359415 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052698 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556935 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677085) to band 5 (0.8241814443502149), 1.7739824912428712% Gap from band 7 (1.086072932359415) to band 8 (1.0878689635052698), 0.16523267243447132% total elapsed time for run: 1.965979814529419 done /tmp/meepREy4kN/test_get_eigenvectors-0: 1.98s /tmp/meepREy4kN/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013766288757324219 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14078998565673828 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3914039134979248 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08646035194396973 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07943320274353027 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09204959869384766 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1428239345550537 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10841679573059082 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09201359748840332 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07966375350952148 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07599449157714844 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07589435577392578 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.060006141662597656 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06959033012390137 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09512782096862793 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1113893985748291 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24898910522460938 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9526050090789795 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 ./tmp/meepREy4kN/test_get_hfield-0: 1.96s /tmp/meepREy4kN/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014469623565673828 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.06577444076538086 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.05990266799926758 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.050351858139038086 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.04737710952758789 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.043961286544799805 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.043866872787475586 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.04075431823730469 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.04064488410949707 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.034295082092285156 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.03455495834350586 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.03105783462524414 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657 Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168 Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881 Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957312 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510743 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525583 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380287 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309859 (1.7049e-10% change) linmin: converged after 3 iterations. iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.0374598503112793 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338974 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011073 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283281438838011 (0.00210466% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 7 iterations. iteration 6: trace = 4.28326657937046 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834247 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102651 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093189 (2.35676e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283266489000646 (2.16059e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.283266488991158 (2.21502e-10% change) linmin: converged after 11 iterations. iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.04068446159362793 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060165 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164763 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 13 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016636 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309537 (3.71634e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65554e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.410102274561973 (5.74616e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546353 (3.54196e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.0439302921295166 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101673 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258617 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323376 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553309 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244495 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738526 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347481 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618732 (7.91744e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781556 (2.7502e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.53451762276076 (4.58611e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.05679011344909668 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082276254 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477331197 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234815 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379737 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189929 (0.00557828% change) linmin: converged after 16 iterations. iteration 6: trace = 4.577915173102078 (0.000900408% change) linmin: converged after 8 iterations. iteration 7: trace = 4.577900193794617 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955983 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564553 (2.15468e-05% change) linmin: converged after 10 iterations. iteration 10: trace = 4.577894647524367 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981888 (3.39512e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.577894627560067 (9.65907e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684431 (1.91275e-08% change) linmin: converged after 7 iterations. iteration 14: trace = 4.577894626586341 (2.1427e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573657 (2.77072e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.04456162452697754 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 0.7205410003662109 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Found complex vector dataset... Input data is rank 2, size 32x32x1. Rotating vectors by matrix [ 0.8660254038, 0.5, -0 0.5, -0.8660254038, -0 -0, -0, 1 ] Output data 96x83x1. real part range: 0 .. 0 imag part range: 0 .. 0 real part range: 0 .. 0 imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 ./tmp/meepREy4kN/test_handle_cvector-0: 0.75s /tmp/meepREy4kN/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.11, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 10 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.16666666666666666, 0.0, 0.0> Vector3<0.3333333333333333, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.16666666666666666, 0.0> Vector3<0.5, 0.3333333333333333, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Vector3<0.16666666666666669, 0.16666666666666669, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016388893127441406 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10 Solving for bands 2 to 10... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 46.67690825536735 (188.044% change) linmin: converged after 7 iterations. iteration 2: trace = 20.87201589192944 (76.4036% change) linmin: converged after 10 iterations. iteration 3: trace = 17.90281367460673 (15.3151% change) linmin: converged after 7 iterations. iteration 4: trace = 16.44745357201135 (8.47365% change) linmin: converged after 7 iterations. iteration 5: trace = 15.57503623871558 (5.44878% change) linmin: converged after 7 iterations. iteration 6: trace = 14.93685931084693 (4.18314% change) linmin: converged after 6 iterations. iteration 7: trace = 14.66427204412151 (1.84174% change) large trace change predicted (3.90566%) linmin: converged after 5 iterations. iteration 8: trace = 14.03803967394925 (4.36364% change) linmin: converged after 5 iterations. iteration 9: trace = 13.72475704319461 (2.25685% change) linmin: converged after 6 iterations. iteration 10: trace = 13.44496718978157 (2.05957% change) linmin: converged after 5 iterations. iteration 11: trace = 13.08709458939926 (2.69766% change) linmin: converged after 6 iterations. iteration 12: trace = 12.85444591732123 (1.79364% change) linmin: converged after 5 iterations. iteration 13: trace = 12.55657797174782 (2.3444% change) linmin: converged after 5 iterations. iteration 14: trace = 12.19678333591758 (2.90704% change) linmin: converged after 5 iterations. iteration 15: trace = 11.81712739283433 (3.16197% change) linmin: converged after 6 iterations. iteration 16: trace = 11.41216612913362 (3.48664% change) linmin: converged after 6 iterations. iteration 17: trace = 10.90973448619632 (4.50169% change) linmin: converged after 8 iterations. iteration 18: trace = 10.44959835156425 (4.30853% change) linmin: converged after 7 iterations. iteration 19: trace = 9.946119693999728 (4.9371% change) linmin: converged after 8 iterations. iteration 20: trace = 9.604108858104249 (3.49879% change) linmin: converged after 7 iterations. iteration 21: trace = 9.066211132700758 (5.76206% change) linmin: converged after 7 iterations. iteration 22: trace = 8.754783680320099 (3.49506% change) linmin: converged after 8 iterations. iteration 23: trace = 8.366907716682842 (4.53081% change) linmin: converged after 7 iterations. iteration 24: trace = 8.082023293497876 (3.46387% change) linmin: converged after 6 iterations. iteration 25: trace = 7.760859506072383 (4.05436% change) linmin: converged after 7 iterations. iteration 26: trace = 7.505495003243805 (3.34545% change) linmin: converged after 6 iterations. iteration 27: trace = 7.127998958156258 (5.15934% change) linmin: converged after 11 iterations. iteration 28: trace = 6.950727436055764 (2.51829% change) linmin: converged after 5 iterations. iteration 29: trace = 6.788207349772075 (2.36583% change) linmin: converged after 5 iterations. iteration 30: trace = 6.663378833341418 (1.85597% change) linmin: converged after 8 iterations. iteration 31: trace = 6.387397375407015 (4.22935% change) linmin: converged after 7 iterations. iteration 32: trace = 6.077630099806203 (4.97018% change) linmin: converged after 9 iterations. iteration 33: trace = 5.845265457472709 (3.89779% change) linmin: converged after 5 iterations. iteration 34: trace = 5.676181876309078 (2.93511% change) linmin: converged after 5 iterations. iteration 35: trace = 5.533824231205664 (2.53983% change) linmin: converged after 10 iterations. iteration 36: trace = 5.376187973974618 (2.88975% change) linmin: converged after 7 iterations. iteration 37: trace = 5.264316137410749 (2.10275% change) linmin: converged after 6 iterations. iteration 38: trace = 5.138003212054784 (2.42855% change) linmin: converged after 7 iterations. iteration 39: trace = 5.056109268376328 (1.60669% change) linmin: converged after 7 iterations. iteration 40: trace = 4.966406354072589 (1.79003% change) linmin: converged after 7 iterations. iteration 41: trace = 4.865793792633924 (2.04659% change) linmin: converged after 8 iterations. iteration 42: trace = 4.755591543596198 (2.29078% change) linmin: converged after 8 iterations. iteration 43: trace = 4.669630998346893 (1.82405% change) linmin: converged after 8 iterations. iteration 44: trace = 4.618919953560653 (1.0919% change) linmin: converged after 4 iterations. iteration 45: trace = 4.558826347512805 (1.30955% change) linmin: converged after 5 iterations. iteration 46: trace = 4.516268796384417 (0.937898% change) linmin: converged after 5 iterations. iteration 47: trace = 4.466855897051691 (1.10013% change) linmin: converged after 7 iterations. iteration 48: trace = 4.402172815963693 (1.45863% change) linmin: converged after 6 iterations. iteration 49: trace = 4.348894165981942 (1.21765% change) linmin: converged after 6 iterations. iteration 50: trace = 4.277264475657445 (1.66076% change) linmin: converged after 7 iterations. iteration 51: trace = 4.218023563650445 (1.39468% change) linmin: converged after 4 iterations. iteration 52: trace = 4.155509345171562 (1.49314% change) linmin: converged after 7 iterations. iteration 53: trace = 4.094398066584754 (1.4815% change) linmin: converged after 7 iterations. iteration 54: trace = 4.000043134875538 (2.33135% change) linmin: converged after 5 iterations. iteration 55: trace = 3.922502571777799 (1.95747% change) linmin: converged after 8 iterations. iteration 56: trace = 3.850088394081112 (1.86332% change) linmin: converged after 7 iterations. iteration 57: trace = 3.791821935313555 (1.52492% change) linmin: converged after 6 iterations. iteration 58: trace = 3.753050708507767 (1.02775% change) linmin: converged after 4 iterations. iteration 59: trace = 3.719648814645396 (0.893971% change) linmin: converged after 6 iterations. iteration 60: trace = 3.691349243816827 (0.763718% change) linmin: converged after 6 iterations. iteration 61: trace = 3.665517698636417 (0.702243% change) linmin: converged after 5 iterations. iteration 62: trace = 3.642774923950771 (0.622383% change) linmin: converged after 6 iterations. iteration 63: trace = 3.621632257764969 (0.582089% change) linmin: converged after 6 iterations. iteration 64: trace = 3.604354313198482 (0.478217% change) linmin: converged after 4 iterations. iteration 65: trace = 3.588974738288043 (0.427607% change) linmin: converged after 4 iterations. iteration 66: trace = 3.575630801714686 (0.372496% change) linmin: converged after 6 iterations. iteration 67: trace = 3.563562104542054 (0.338097% change) linmin: converged after 6 iterations. iteration 68: trace = 3.551359863705462 (0.343004% change) linmin: converged after 6 iterations. iteration 69: trace = 3.539576087021361 (0.332362% change) resetting CG direction... large trace change predicted (2.94865%) linmin: converged after 5 iterations. iteration 70: trace = 3.431405225034667 (3.10346% change) linmin: converged after 4 iterations. iteration 71: trace = 3.364606599918429 (1.96582% change) linmin: converged after 5 iterations. iteration 72: trace = 3.333178753762374 (0.938455% change) linmin: converged after 4 iterations. iteration 73: trace = 3.327511374845806 (0.170174% change) large trace change predicted (0.554837%) linmin: converged after 5 iterations. iteration 74: trace = 3.30839581049568 (0.576125% change) linmin: converged after 4 iterations. iteration 75: trace = 3.303101990445036 (0.16014% change) linmin: converged after 3 iterations. iteration 76: trace = 3.295500168802517 (0.230407% change) linmin: converged after 4 iterations. iteration 77: trace = 3.28807355346897 (0.22561% change) linmin: converged after 4 iterations. iteration 78: trace = 3.281432543666933 (0.202177% change) linmin: converged after 6 iterations. iteration 79: trace = 3.268340966472334 (0.399757% change) linmin: converged after 4 iterations. iteration 80: trace = 3.263337195175677 (0.153215% change) large trace change predicted (0.729751%) linmin: converged after 5 iterations. iteration 81: trace = 3.239916775785054 (0.720268% change) linmin: converged after 6 iterations. iteration 82: trace = 3.220325377463571 (0.606522% change) linmin: converged after 4 iterations. iteration 83: trace = 3.198541316604321 (0.678751% change) linmin: converged after 4 iterations. iteration 84: trace = 3.177521915924397 (0.659322% change) linmin: converged after 5 iterations. iteration 85: trace = 3.158689441282762 (0.59444% change) linmin: converged after 4 iterations. iteration 86: trace = 3.124351619672183 (1.09303% change) linmin: converged after 4 iterations. iteration 87: trace = 3.115938154199683 (0.26965% change) large trace change predicted (0.80553%) linmin: converged after 4 iterations. iteration 88: trace = 3.091192470229429 (0.797331% change) linmin: converged after 5 iterations. iteration 89: trace = 3.081043078189253 (0.328872% change) linmin: converged after 8 iterations. iteration 90: trace = 3.068578063540339 (0.405391% change) linmin: converged after 6 iterations. iteration 91: trace = 3.058935697216242 (0.314724% change) linmin: converged after 5 iterations. iteration 92: trace = 3.05180850737605 (0.233267% change) linmin: converged after 3 iterations. iteration 93: trace = 3.039400873174168 (0.407395% change) linmin: converged after 6 iterations. iteration 94: trace = 3.036435748683464 (0.0976038% change) large trace change predicted (0.289199%) linmin: converged after 7 iterations. iteration 95: trace = 3.027689317351538 (0.288465% change) linmin: converged after 5 iterations. iteration 96: trace = 3.025436115933095 (0.0744475% change) linmin: converged after 5 iterations. iteration 97: trace = 3.022123370988173 (0.109556% change) linmin: converged after 8 iterations. iteration 98: trace = 3.019557672499226 (0.0849333% change) linmin: converged after 5 iterations. iteration 99: trace = 3.017617454341009 (0.0642757% change) large trace change predicted (0.199216%) linmin: converged after 6 iterations. iteration 100: trace = 3.011702812029835 (0.196196% change) linmin: converged after 5 iterations. iteration 101: trace = 3.008822242129416 (0.0956917% change) large trace change predicted (0.494575%) linmin: converged after 7 iterations. iteration 102: trace = 2.993101363818678 (0.523861% change) large trace change predicted (2.76676%) linmin: converged after 11 iterations. iteration 103: trace = 2.971607966586401 (0.720685% change) linmin: converged after 6 iterations. iteration 104: trace = 2.966426041934485 (0.174533% change) linmin: converged after 7 iterations. iteration 105: trace = 2.962576916432998 (0.129841% change) linmin: converged after 4 iterations. iteration 106: trace = 2.959663417317667 (0.0983918% change) linmin: converged after 4 iterations. iteration 107: trace = 2.957613910125768 (0.069272% change) linmin: converged after 4 iterations. iteration 108: trace = 2.956027948354737 (0.0536374% change) linmin: converged after 4 iterations. iteration 109: trace = 2.954446405928148 (0.0535166% change) linmin: converged after 4 iterations. iteration 110: trace = 2.952644656961998 (0.0610029% change) linmin: converged after 7 iterations. iteration 111: trace = 2.950800299587361 (0.0624841% change) linmin: converged after 5 iterations. iteration 112: trace = 2.949162275119235 (0.0555266% change) linmin: converged after 5 iterations. iteration 113: trace = 2.947680347043586 (0.0502617% change) linmin: converged after 5 iterations. iteration 114: trace = 2.946173844337002 (0.0511211% change) linmin: converged after 4 iterations. iteration 115: trace = 2.944665514272482 (0.0512093% change) linmin: converged after 4 iterations. iteration 116: trace = 2.943386753096056 (0.0434358% change) linmin: converged after 8 iterations. iteration 117: trace = 2.942362730441001 (0.0347967% change) linmin: converged after 6 iterations. iteration 118: trace = 2.941372078288963 (0.0336743% change) linmin: converged after 6 iterations. iteration 119: trace = 2.940246560501752 (0.0382724% change) linmin: converged after 6 iterations. iteration 120: trace = 2.939085641698362 (0.0394915% change) linmin: converged after 6 iterations. iteration 121: trace = 2.938048946889208 (0.0352789% change) linmin: converged after 7 iterations. iteration 122: trace = 2.937029634222545 (0.0346995% change) linmin: converged after 4 iterations. iteration 123: trace = 2.93578498323623 (0.0423869% change) linmin: converged after 4 iterations. iteration 124: trace = 2.934266526562438 (0.0517357% change) linmin: converged after 4 iterations. iteration 125: trace = 2.932753457184486 (0.0515788% change) linmin: converged after 6 iterations. iteration 126: trace = 2.931392951500543 (0.0464008% change) linmin: converged after 4 iterations. iteration 127: trace = 2.930045864154609 (0.0459644% change) linmin: converged after 4 iterations. iteration 128: trace = 2.928604937066982 (0.0491897% change) linmin: converged after 4 iterations. iteration 129: trace = 2.927186353523649 (0.0484506% change) linmin: converged after 5 iterations. iteration 130: trace = 2.92592607553319 (0.0430635% change) linmin: converged after 7 iterations. iteration 131: trace = 2.924738046286078 (0.0406118% change) linmin: converged after 5 iterations. iteration 132: trace = 2.923387162526266 (0.0461989% change) linmin: converged after 4 iterations. iteration 133: trace = 2.921694777691809 (0.057908% change) linmin: converged after 4 iterations. iteration 134: trace = 2.919767635225542 (0.0659815% change) linmin: converged after 4 iterations. iteration 135: trace = 2.917896313499875 (0.064112% change) linmin: converged after 4 iterations. iteration 136: trace = 2.91617931683536 (0.058861% change) linmin: converged after 5 iterations. iteration 137: trace = 2.914507630833452 (0.057341% change) linmin: converged after 5 iterations. iteration 138: trace = 2.912775780152054 (0.0594394% change) linmin: converged after 5 iterations. iteration 139: trace = 2.911010765359506 (0.060614% change) resetting CG direction... large trace change predicted (0.793722%) linmin: converged after 4 iterations. iteration 140: trace = 2.888445434845293 (0.778188% change) large trace change predicted (2.41109%) linmin: converged after 6 iterations. iteration 141: trace = 2.824395301475856 (2.24232% change) linmin: converged after 6 iterations. iteration 142: trace = 2.788318376203819 (1.28554% change) linmin: converged after 4 iterations. iteration 143: trace = 2.760124165776621 (1.01629% change) linmin: converged after 4 iterations. iteration 144: trace = 2.747302232502843 (0.465623% change) linmin: converged after 3 iterations. iteration 145: trace = 2.742808570144592 (0.1637% change) linmin: converged after 4 iterations. iteration 146: trace = 2.736559669694309 (0.228088% change) linmin: converged after 7 iterations. iteration 147: trace = 2.734950084071833 (0.0588352% change) linmin: converged after 10 iterations. iteration 148: trace = 2.732082394813406 (0.104908% change) linmin: converged after 5 iterations. iteration 149: trace = 2.731340115523151 (0.0271727% change) large trace change predicted (0.066467%) linmin: converged after 7 iterations. iteration 150: trace = 2.729522161691801 (0.0665812% change) linmin: converged after 4 iterations. iteration 151: trace = 2.72891463549496 (0.0222601% change) linmin: converged after 4 iterations. iteration 152: trace = 2.727938453189785 (0.0357782% change) linmin: converged after 6 iterations. iteration 153: trace = 2.727649314412402 (0.0105997% change) large trace change predicted (0.0314719%) linmin: converged after 5 iterations. iteration 154: trace = 2.726791830859148 (0.0314417% change) linmin: converged after 5 iterations. iteration 155: trace = 2.726414202246866 (0.0138498% change) large trace change predicted (0.0747307%) linmin: converged after 4 iterations. iteration 156: trace = 2.724395467475787 (0.074071% change) linmin: converged after 4 iterations. iteration 157: trace = 2.723687992722442 (0.0259715% change) linmin: converged after 4 iterations. iteration 158: trace = 2.722564479351532 (0.0412582% change) linmin: converged after 6 iterations. iteration 159: trace = 2.721742641544374 (0.0301907% change) linmin: converged after 6 iterations. iteration 160: trace = 2.720173117539718 (0.0576828% change) linmin: converged after 4 iterations. iteration 161: trace = 2.719126934528914 (0.0384676% change) large trace change predicted (0.105576%) linmin: converged after 4 iterations. iteration 162: trace = 2.716260242702058 (0.105483% change) linmin: converged after 5 iterations. iteration 163: trace = 2.715293689117474 (0.0355903% change) large trace change predicted (0.139385%) linmin: converged after 4 iterations. iteration 164: trace = 2.711486071436141 (0.140327% change) linmin: converged after 4 iterations. iteration 165: trace = 2.710549551642114 (0.034545% change) large trace change predicted (0.088161%) linmin: converged after 4 iterations. iteration 166: trace = 2.708140625122256 (0.0889118% change) linmin: converged after 7 iterations. iteration 167: trace = 2.707016991616928 (0.0414996% change) linmin: converged after 6 iterations. iteration 168: trace = 2.705086517550507 (0.0713391% change) linmin: converged after 6 iterations. iteration 169: trace = 2.704249185579521 (0.0309588% change) linmin: converged after 6 iterations. iteration 170: trace = 2.70286697756975 (0.0511255% change) linmin: converged after 6 iterations. iteration 171: trace = 2.702314851114448 (0.0204295% change) large trace change predicted (0.0431886%) linmin: converged after 6 iterations. iteration 172: trace = 2.701148865822604 (0.043157% change) linmin: converged after 6 iterations. iteration 173: trace = 2.700717737994567 (0.0159622% change) linmin: converged after 5 iterations. iteration 174: trace = 2.699926496369319 (0.0293017% change) linmin: converged after 9 iterations. iteration 175: trace = 2.699504711326707 (0.0156233% change) linmin: converged after 4 iterations. iteration 176: trace = 2.698895228285984 (0.0225801% change) linmin: converged after 5 iterations. iteration 177: trace = 2.69845248627361 (0.0164059% change) linmin: converged after 4 iterations. iteration 178: trace = 2.697993927855573 (0.0169948% change) linmin: converged after 9 iterations. iteration 179: trace = 2.697465798470492 (0.0195768% change) linmin: converged after 4 iterations. iteration 180: trace = 2.696665529696999 (0.0296718% change) linmin: converged after 7 iterations. iteration 181: trace = 2.696203637949456 (0.0171297% change) large trace change predicted (0.0347105%) linmin: converged after 5 iterations. iteration 182: trace = 2.695266855519616 (0.0347505% change) linmin: converged after 5 iterations. iteration 183: trace = 2.694439958230504 (0.0306843% change) large trace change predicted (0.0624104%) linmin: converged after 9 iterations. iteration 184: trace = 2.692752798118185 (0.062636% change) linmin: converged after 8 iterations. iteration 185: trace = 2.690742143608226 (0.074697% change) linmin: converged after 5 iterations. iteration 186: trace = 2.687553625591221 (0.11857% change) linmin: converged after 10 iterations. iteration 187: trace = 2.685786271118345 (0.0657823% change) large trace change predicted (0.272422%) linmin: converged after 5 iterations. iteration 188: trace = 2.678469038850558 (0.272814% change) linmin: converged after 5 iterations. iteration 189: trace = 2.675875271270749 (0.0968846% change) large trace change predicted (0.339205%) linmin: converged after 4 iterations. iteration 190: trace = 2.666749429302875 (0.341624% change) linmin: converged after 5 iterations. iteration 191: trace = 2.662935791754209 (0.143109% change) linmin: converged after 5 iterations. iteration 192: trace = 2.657097947243713 (0.219466% change) linmin: converged after 5 iterations. iteration 193: trace = 2.653500798862163 (0.135471% change) linmin: converged after 6 iterations. iteration 194: trace = 2.648519701485342 (0.187894% change) linmin: converged after 4 iterations. iteration 195: trace = 2.645319196327754 (0.120914% change) linmin: converged after 4 iterations. iteration 196: trace = 2.643049563980745 (0.0858349% change) linmin: converged after 5 iterations. iteration 197: trace = 2.639077161842874 (0.150409% change) linmin: converged after 7 iterations. iteration 198: trace = 2.637980234339716 (0.0415735% change) large trace change predicted (0.120144%) linmin: converged after 4 iterations. iteration 199: trace = 2.634788372723134 (0.12107% change) linmin: converged after 5 iterations. iteration 200: trace = 2.633992269155724 (0.0302197% change) large trace change predicted (0.0843001%) linmin: converged after 3 iterations. iteration 201: trace = 2.631753617625737 (0.0850269% change) linmin: converged after 6 iterations. iteration 202: trace = 2.630651895620766 (0.0418714% change) large trace change predicted (0.0971038%) linmin: converged after 9 iterations. iteration 203: trace = 2.628077536137525 (0.097908% change) linmin: converged after 4 iterations. iteration 204: trace = 2.626793183488546 (0.0488824% change) large trace change predicted (0.142943%) linmin: converged after 3 iterations. iteration 205: trace = 2.622986080692303 (0.145039% change) linmin: converged after 4 iterations. iteration 206: trace = 2.621383996907963 (0.0610973% change) large trace change predicted (0.232967%) linmin: converged after 4 iterations. iteration 207: trace = 2.615139473869272 (0.238499% change) linmin: converged after 3 iterations. iteration 208: trace = 2.612611956167025 (0.0966962% change) large trace change predicted (0.273615%) linmin: converged after 4 iterations. iteration 209: trace = 2.605294546018591 (0.280473% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.602501639585325 (0.107259% change) linmin: converged after 4 iterations. iteration 211: trace = 2.598226783311826 (0.164395% change) linmin: converged after 4 iterations. iteration 212: trace = 2.595438442445011 (0.107375% change) linmin: converged after 4 iterations. iteration 213: trace = 2.593716854831667 (0.0663533% change) large trace change predicted (0.153318%) linmin: converged after 4 iterations. iteration 214: trace = 2.589741715718366 (0.153378% change) linmin: converged after 5 iterations. iteration 215: trace = 2.588707419123327 (0.0399462% change) large trace change predicted (0.210518%) linmin: converged after 6 iterations. iteration 216: trace = 2.583253193893322 (0.210915% change) linmin: converged after 9 iterations. iteration 217: trace = 2.581730199574025 (0.0589738% change) large trace change predicted (0.133263%) linmin: converged after 5 iterations. iteration 218: trace = 2.578286680822565 (0.133469% change) linmin: converged after 7 iterations. iteration 219: trace = 2.575897179422247 (0.0927208% change) linmin: converged after 4 iterations. iteration 220: trace = 2.572968263562473 (0.113769% change) linmin: converged after 3 iterations. iteration 221: trace = 2.568394298969082 (0.177928% change) linmin: converged after 7 iterations. iteration 222: trace = 2.565762350762913 (0.102527% change) large trace change predicted (0.271659%) linmin: converged after 3 iterations. iteration 223: trace = 2.558743056249501 (0.27395% change) linmin: converged after 4 iterations. iteration 224: trace = 2.555855356893964 (0.11292% change) large trace change predicted (0.383531%) linmin: converged after 4 iterations. iteration 225: trace = 2.545964046426559 (0.387756% change) linmin: converged after 4 iterations. iteration 226: trace = 2.542272455031843 (0.145103% change) large trace change predicted (0.357961%) linmin: converged after 3 iterations. iteration 227: trace = 2.533094064316798 (0.361684% change) linmin: converged after 4 iterations. iteration 228: trace = 2.529281986486796 (0.150604% change) large trace change predicted (0.341752%) linmin: converged after 3 iterations. iteration 229: trace = 2.520565177206163 (0.345231% change) linmin: converged after 5 iterations. iteration 230: trace = 2.518048803871747 (0.0998836% change) large trace change predicted (0.265439%) linmin: converged after 4 iterations. iteration 231: trace = 2.511316892458201 (0.267704% change) linmin: converged after 7 iterations. iteration 232: trace = 2.510042722318929 (0.05075% change) large trace change predicted (0.139546%) linmin: converged after 3 iterations. iteration 233: trace = 2.50652768321382 (0.140137% change) linmin: converged after 6 iterations. iteration 234: trace = 2.50570701660063 (0.0327465% change) large trace change predicted (0.0895116%) linmin: converged after 6 iterations. iteration 235: trace = 2.503462764984659 (0.0896057% change) linmin: converged after 5 iterations. iteration 236: trace = 2.502020878554722 (0.0576123% change) linmin: converged after 3 iterations. iteration 237: trace = 2.499357133046416 (0.10652% change) linmin: converged after 4 iterations. iteration 238: trace = 2.498060229272503 (0.051903% change) large trace change predicted (0.134377%) linmin: converged after 3 iterations. iteration 239: trace = 2.494680578926055 (0.135383% change) linmin: converged after 3 iterations. iteration 240: trace = 2.492784206177824 (0.0760456% change) linmin: converged after 3 iterations. iteration 241: trace = 2.489548510931036 (0.129887% change) linmin: converged after 3 iterations. iteration 242: trace = 2.485323205274456 (0.169866% change) linmin: converged after 4 iterations. iteration 243: trace = 2.483243378713432 (0.0837194% change) large trace change predicted (0.199061%) linmin: converged after 3 iterations. iteration 244: trace = 2.478260870991282 (0.200847% change) linmin: converged after 8 iterations. iteration 245: trace = 2.476663235827183 (0.0644868% change) large trace change predicted (0.23638%) linmin: converged after 3 iterations. iteration 246: trace = 2.470771800393848 (0.238161% change) linmin: converged after 4 iterations. iteration 247: trace = 2.467263022187214 (0.142112% change) linmin: converged after 4 iterations. iteration 248: trace = 2.463512827262804 (0.152114% change) linmin: converged after 3 iterations. iteration 249: trace = 2.460173715285887 (0.135635% change) linmin: converged after 4 iterations. iteration 250: trace = 2.458464637430362 (0.0694939% change) large trace change predicted (0.161944%) linmin: converged after 3 iterations. iteration 251: trace = 2.454447849151615 (0.16352% change) linmin: converged after 4 iterations. iteration 252: trace = 2.452898905318962 (0.0631275% change) large trace change predicted (0.134015%) linmin: converged after 3 iterations. iteration 253: trace = 2.449577914497606 (0.135482% change) linmin: converged after 3 iterations. iteration 254: trace = 2.448630132296462 (0.0386991% change) linmin: converged after 4 iterations. iteration 255: trace = 2.447792953309919 (0.0341955% change) linmin: converged after 4 iterations. iteration 256: trace = 2.447309279190399 (0.0197616% change) linmin: converged after 5 iterations. iteration 257: trace = 2.447075084348053 (0.00956994% change) large trace change predicted (0.0198404%) linmin: converged after 3 iterations. iteration 258: trace = 2.446589451158328 (0.0198474% change) linmin: converged after 5 iterations. iteration 259: trace = 2.44643885622507 (0.00615549% change) large trace change predicted (0.0328875%) linmin: converged after 3 iterations. iteration 260: trace = 2.445633996009991 (0.0329047% change) linmin: converged after 6 iterations. iteration 261: trace = 2.445318466412624 (0.0129026% change) large trace change predicted (0.0608575%) linmin: converged after 3 iterations. iteration 262: trace = 2.443826921509546 (0.0610145% change) linmin: converged after 8 iterations. iteration 263: trace = 2.442960129708474 (0.0354749% change) large trace change predicted (0.0929087%) linmin: converged after 3 iterations. iteration 264: trace = 2.440675969398874 (0.0935434% change) linmin: converged after 4 iterations. iteration 265: trace = 2.439708508065579 (0.0396469% change) large trace change predicted (0.147496%) linmin: converged after 3 iterations. iteration 266: trace = 2.436077919336658 (0.148923% change) linmin: converged after 7 iterations. iteration 267: trace = 2.434989871206461 (0.0446739% change) large trace change predicted (0.13501%) linmin: converged after 3 iterations. iteration 268: trace = 2.431673039558048 (0.136308% change) linmin: converged after 4 iterations. iteration 269: trace = 2.430791547543352 (0.036257% change) large trace change predicted (0.0924884%) linmin: converged after 3 iterations. iteration 270: trace = 2.428532709530431 (0.0929692% change) linmin: converged after 4 iterations. iteration 271: trace = 2.428080183817308 (0.0186354% change) linmin: converged after 3 iterations. iteration 272: trace = 2.427352276899583 (0.0299832% change) linmin: converged after 5 iterations. iteration 273: trace = 2.427093882290142 (0.0106457% change) linmin: converged after 3 iterations. iteration 274: trace = 2.426602493386211 (0.020248% change) linmin: converged after 5 iterations. iteration 275: trace = 2.426458650763427 (0.00592791% change) large trace change predicted (0.0145955%) linmin: converged after 3 iterations. iteration 276: trace = 2.42610420864135 (0.0146085% change) linmin: converged after 9 iterations. iteration 277: trace = 2.426001026018845 (0.00425311% change) large trace change predicted (0.0130293%) linmin: converged after 4 iterations. iteration 278: trace = 2.425684744039484 (0.013038% change) linmin: converged after 4 iterations. iteration 279: trace = 2.425547908904644 (0.00564125% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.425456432332552 (0.00377145% change) linmin: converged after 3 iterations. iteration 281: trace = 2.425329023523761 (0.00525312% change) linmin: converged after 3 iterations. iteration 282: trace = 2.425209263141928 (0.00493802% change) linmin: converged after 5 iterations. iteration 283: trace = 2.425139361694731 (0.00288233% change) large trace change predicted (0.0101575%) linmin: converged after 4 iterations. iteration 284: trace = 2.424892873652419 (0.0101644% change) linmin: converged after 4 iterations. iteration 285: trace = 2.424794217343377 (0.00406856% change) large trace change predicted (0.0152137%) linmin: converged after 3 iterations. iteration 286: trace = 2.424425233233391 (0.0152183% change) linmin: converged after 4 iterations. iteration 287: trace = 2.423886327780014 (0.0222306% change) linmin: converged after 5 iterations. iteration 288: trace = 2.423609126297221 (0.0114369% change) large trace change predicted (0.0278068%) linmin: converged after 3 iterations. iteration 289: trace = 2.422934176240295 (0.0278528% change) linmin: converged after 7 iterations. iteration 290: trace = 2.422182661303272 (0.0310215% change) linmin: converged after 4 iterations. iteration 291: trace = 2.421816113520184 (0.0151341% change) linmin: converged after 3 iterations. iteration 292: trace = 2.421092952299891 (0.0298647% change) linmin: converged after 8 iterations. iteration 293: trace = 2.420928853410942 (0.00677811% change) linmin: converged after 3 iterations. iteration 294: trace = 2.420614966273286 (0.0129664% change) linmin: converged after 3 iterations. iteration 295: trace = 2.420423391102427 (0.00791463% change) linmin: converged after 4 iterations. iteration 296: trace = 2.420351654383627 (0.00296385% change) linmin: converged after 4 iterations. iteration 297: trace = 2.420227943006071 (0.00511143% change) linmin: converged after 4 iterations. iteration 298: trace = 2.420056192437012 (0.00709671% change) linmin: converged after 5 iterations. iteration 299: trace = 2.41997922460286 (0.00318047% change) large trace change predicted (0.00933409%) linmin: converged after 4 iterations. iteration 300: trace = 2.419753538390246 (0.00932639% change) linmin: converged after 5 iterations. iteration 301: trace = 2.419685427916214 (0.00281481% change) large trace change predicted (0.00607762%) linmin: converged after 8 iterations. iteration 302: trace = 2.419538451023052 (0.0060744% change) linmin: converged after 6 iterations. iteration 303: trace = 2.419396855475916 (0.00585234% change) linmin: converged after 4 iterations. iteration 304: trace = 2.419347300034381 (0.00204828% change) large trace change predicted (0.00847111%) linmin: converged after 6 iterations. iteration 305: trace = 2.419142483385138 (0.00846614% change) linmin: converged after 7 iterations. iteration 306: trace = 2.419070004982281 (0.00299608% change) large trace change predicted (0.0116725%) linmin: converged after 5 iterations. iteration 307: trace = 2.418787686606084 (0.0116712% change) linmin: converged after 6 iterations. iteration 308: trace = 2.418489990653812 (0.0123084% change) linmin: converged after 5 iterations. iteration 309: trace = 2.418281992445798 (0.0086007% change) large trace change predicted (0.0215931%) linmin: converged after 6 iterations. iteration 310: trace = 2.417760276407096 (0.0215762% change) linmin: converged after 5 iterations. iteration 311: trace = 2.417435188649911 (0.0134467% change) linmin: converged after 6 iterations. iteration 312: trace = 2.416805750619196 (0.0260408% change) linmin: converged after 7 iterations. iteration 313: trace = 2.416320700337448 (0.0200719% change) linmin: converged after 5 iterations. iteration 314: trace = 2.416241788340399 (0.00326584% change) large trace change predicted (0.00695951%) linmin: converged after 4 iterations. iteration 315: trace = 2.416073670003391 (0.00695809% change) linmin: converged after 6 iterations. iteration 316: trace = 2.41601284513149 (0.00251754% change) linmin: converged after 4 iterations. iteration 317: trace = 2.415961263335417 (0.00213502% change) large trace change predicted (0.0043315%) linmin: converged after 7 iterations. iteration 318: trace = 2.415856617529764 (0.00433153% change) linmin: converged after 5 iterations. iteration 319: trace = 2.415830097387928 (0.00109776% change) large trace change predicted (0.00369501%) linmin: converged after 5 iterations. iteration 320: trace = 2.415740854367253 (0.00369416% change) linmin: converged after 5 iterations. iteration 321: trace = 2.415707298352126 (0.00138907% change) large trace change predicted (0.00444085%) linmin: converged after 3 iterations. iteration 322: trace = 2.415600078669746 (0.00443854% change) linmin: converged after 5 iterations. iteration 323: trace = 2.415491021179368 (0.00451482% change) linmin: converged after 5 iterations. iteration 324: trace = 2.415410490161924 (0.003334% change) linmin: converged after 4 iterations. iteration 325: trace = 2.415254944952951 (0.00643991% change) linmin: converged after 4 iterations. iteration 326: trace = 2.415046129890972 (0.00864605% change) linmin: converged after 3 iterations. iteration 327: trace = 2.414972277783549 (0.00305805% change) large trace change predicted (0.00705234%) linmin: converged after 4 iterations. iteration 328: trace = 2.41480187476109 (0.00705636% change) linmin: converged after 4 iterations. iteration 329: trace = 2.414693138410026 (0.00450301% change) linmin: converged after 4 iterations. iteration 330: trace = 2.414626182250977 (0.0027729% change) large trace change predicted (0.00596213%) linmin: converged after 5 iterations. iteration 331: trace = 2.41448221362451 (0.00596253% change) linmin: converged after 4 iterations. iteration 332: trace = 2.414448144180044 (0.00141106% change) large trace change predicted (0.00381542%) linmin: converged after 3 iterations. iteration 333: trace = 2.414356026994811 (0.00381532% change) linmin: converged after 4 iterations. iteration 334: trace = 2.414292217436085 (0.00264296% change) linmin: converged after 6 iterations. iteration 335: trace = 2.414274976961073 (0.000714103% change) linmin: converged after 5 iterations. iteration 336: trace = 2.41424749585838 (0.00113828% change) linmin: converged after 5 iterations. iteration 337: trace = 2.414228923824201 (0.000769271% change) linmin: converged after 5 iterations. iteration 338: trace = 2.414219112327275 (0.000406404% change) large trace change predicted (0.00175654%) linmin: converged after 5 iterations. iteration 339: trace = 2.414176701400069 (0.00175673% change) linmin: converged after 5 iterations. iteration 340: trace = 2.414164289373766 (0.000514132% change) large trace change predicted (0.00362285%) linmin: converged after 3 iterations. iteration 341: trace = 2.414076812566992 (0.00362355% change) linmin: converged after 5 iterations. iteration 342: trace = 2.41393565185639 (0.00584757% change) linmin: converged after 5 iterations. iteration 343: trace = 2.413841194268387 (0.00391309% change) large trace change predicted (0.0112809%) linmin: converged after 4 iterations. iteration 344: trace = 2.413568614311757 (0.011293% change) linmin: converged after 5 iterations. iteration 345: trace = 2.413477319728524 (0.00378263% change) large trace change predicted (0.0111679%) linmin: converged after 3 iterations. iteration 346: trace = 2.413207365570949 (0.0111859% change) linmin: converged after 5 iterations. iteration 347: trace = 2.413070580848645 (0.00566833% change) linmin: converged after 5 iterations. iteration 348: trace = 2.413030384099815 (0.00166581% change) linmin: converged after 3 iterations. iteration 349: trace = 2.412977344368873 (0.00219808% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.412958092376421 (0.000797855% change) linmin: converged after 4 iterations. iteration 351: trace = 2.412944186537388 (0.0005763% change) large trace change predicted (0.00115838%) linmin: converged after 5 iterations. iteration 352: trace = 2.412916241354624 (0.00115814% change) linmin: converged after 5 iterations. iteration 353: trace = 2.412898546131054 (0.000733357% change) linmin: converged after 4 iterations. iteration 354: trace = 2.41286590797486 (0.00135266% change) linmin: converged after 5 iterations. iteration 355: trace = 2.412838275273388 (0.00114523% change) linmin: converged after 8 iterations. iteration 356: trace = 2.412819378003956 (0.0007832% change) linmin: converged after 12 iterations. iteration 357: trace = 2.412787122255042 (0.00133686% change) linmin: converged after 5 iterations. iteration 358: trace = 2.412779151682144 (0.000330348% change) large trace change predicted (0.00077371%) linmin: converged after 4 iterations. iteration 359: trace = 2.412760484552215 (0.000773681% change) linmin: converged after 5 iterations. iteration 360: trace = 2.412735338182783 (0.00104223% change) linmin: converged after 7 iterations. iteration 361: trace = 2.4127183686781 (0.000703333% change) large trace change predicted (0.00185915%) linmin: converged after 6 iterations. iteration 362: trace = 2.412673508075089 (0.00185936% change) linmin: converged after 5 iterations. iteration 363: trace = 2.412653995667547 (0.00080875% change) large trace change predicted (0.00290444%) linmin: converged after 3 iterations. iteration 364: trace = 2.412583932793069 (0.00290402% change) linmin: converged after 5 iterations. iteration 365: trace = 2.412548947115566 (0.00145014% change) large trace change predicted (0.00300818%) linmin: converged after 4 iterations. iteration 366: trace = 2.412476403188062 (0.00300699% change) linmin: converged after 3 iterations. iteration 367: trace = 2.412401118052748 (0.00312071% change) linmin: converged after 5 iterations. iteration 368: trace = 2.412370979376927 (0.00124933% change) large trace change predicted (0.00294526%) linmin: converged after 5 iterations. iteration 369: trace = 2.412299940811616 (0.0029448% change) linmin: converged after 5 iterations. iteration 370: trace = 2.412281881316058 (0.000748645% change) linmin: converged after 5 iterations. iteration 371: trace = 2.412248577538592 (0.0013806% change) linmin: converged after 5 iterations. iteration 372: trace = 2.41223860759855 (0.000413306% change) linmin: converged after 6 iterations. iteration 373: trace = 2.412231359508706 (0.000300472% change) linmin: converged after 6 iterations. iteration 374: trace = 2.41222132841783 (0.000415844% change) linmin: converged after 5 iterations. iteration 375: trace = 2.412216242942324 (0.000210821% change) large trace change predicted (0.00072922%) linmin: converged after 5 iterations. iteration 376: trace = 2.412198649038367 (0.000729369% change) linmin: converged after 4 iterations. iteration 377: trace = 2.412178949939009 (0.000816648% change) linmin: converged after 5 iterations. iteration 378: trace = 2.41214855897637 (0.0012599% change) linmin: converged after 4 iterations. iteration 379: trace = 2.412104053526888 (0.00184507% change) linmin: converged after 3 iterations. iteration 380: trace = 2.412080240623456 (0.00098723% change) large trace change predicted (0.00246305%) linmin: converged after 6 iterations. iteration 381: trace = 2.412020807051376 (0.00246403% change) linmin: converged after 15 iterations. iteration 382: trace = 2.411973698873427 (0.00195308% change) linmin: converged after 4 iterations. iteration 383: trace = 2.411903871828019 (0.00289506% change) linmin: converged after 5 iterations. iteration 384: trace = 2.411801156507217 (0.00425877% change) linmin: converged after 6 iterations. iteration 385: trace = 2.411731816763695 (0.00287506% change) linmin: converged after 3 iterations. iteration 386: trace = 2.411598310239355 (0.00553587% change) linmin: converged after 4 iterations. iteration 387: trace = 2.411529071867097 (0.0028711% change) large trace change predicted (0.00740489%) linmin: converged after 5 iterations. iteration 388: trace = 2.411350480844088 (0.00740599% change) linmin: converged after 4 iterations. iteration 389: trace = 2.411233800911248 (0.0048389% change) linmin: converged after 5 iterations. iteration 390: trace = 2.411160048038394 (0.00305877% change) linmin: converged after 4 iterations. iteration 391: trace = 2.411071925929188 (0.00365483% change) linmin: converged after 5 iterations. iteration 392: trace = 2.411050622414977 (0.000883574% change) linmin: converged after 3 iterations. iteration 393: trace = 2.41101385150018 (0.00152511% change) linmin: converged after 3 iterations. iteration 394: trace = 2.410997394176545 (0.000682592% change) linmin: converged after 4 iterations. iteration 395: trace = 2.410977271535709 (0.000834622% change) linmin: converged after 5 iterations. iteration 396: trace = 2.410937309307222 (0.00165753% change) linmin: converged after 5 iterations. iteration 397: trace = 2.410918125106366 (0.000795719% change) large trace change predicted (0.00311544%) linmin: converged after 6 iterations. iteration 398: trace = 2.410842986991483 (0.00311663% change) linmin: converged after 5 iterations. iteration 399: trace = 2.41080973393768 (0.00137932% change) large trace change predicted (0.00291%) linmin: converged after 5 iterations. iteration 400: trace = 2.410739532115938 (0.002912% change) linmin: converged after 5 iterations. iteration 401: trace = 2.410664669274483 (0.00310544% change) linmin: converged after 5 iterations. iteration 402: trace = 2.410552887049915 (0.0046371% change) linmin: converged after 4 iterations. iteration 403: trace = 2.410349498574735 (0.00843778% change) linmin: converged after 5 iterations. iteration 404: trace = 2.410247467713317 (0.00423312% change) linmin: converged after 6 iterations. iteration 405: trace = 2.410109779272211 (0.00571279% change) linmin: converged after 5 iterations. iteration 406: trace = 2.410046036568734 (0.00264484% change) linmin: converged after 5 iterations. iteration 407: trace = 2.409960070641615 (0.00356705% change) linmin: converged after 4 iterations. iteration 408: trace = 2.409900657652954 (0.00246534% change) linmin: converged after 4 iterations. iteration 409: trace = 2.4098448769595 (0.00231467% change) linmin: converged after 5 iterations. iteration 410: trace = 2.409765691820529 (0.00328596% change) linmin: converged after 5 iterations. iteration 411: trace = 2.40972606929655 (0.00164426% change) linmin: converged after 5 iterations. iteration 412: trace = 2.409650066208098 (0.00315406% change) linmin: converged after 8 iterations. iteration 413: trace = 2.409606293325892 (0.00181658% change) linmin: converged after 5 iterations. iteration 414: trace = 2.409534386414847 (0.00298422% change) linmin: converged after 5 iterations. iteration 415: trace = 2.409470165137451 (0.00266533% change) linmin: converged after 5 iterations. iteration 416: trace = 2.409437705109584 (0.00134719% change) linmin: converged after 5 iterations. iteration 417: trace = 2.409387052082649 (0.0021023% change) linmin: converged after 8 iterations. iteration 418: trace = 2.409366453536216 (0.000854933% change) large trace change predicted (0.0022058%) linmin: converged after 5 iterations. iteration 419: trace = 2.409313296913291 (0.00220627% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.409287425703921 (0.00107381% change) linmin: converged after 5 iterations. iteration 421: trace = 2.409267190493871 (0.000839887% change) large trace change predicted (0.00196727%) linmin: converged after 6 iterations. iteration 422: trace = 2.409219801679697 (0.00196696% change) linmin: converged after 5 iterations. iteration 423: trace = 2.409204193177113 (0.000647868% change) large trace change predicted (0.00309081%) linmin: converged after 4 iterations. iteration 424: trace = 2.40912975131398 (0.00308994% change) linmin: converged after 4 iterations. iteration 425: trace = 2.409087094882162 (0.00177063% change) linmin: converged after 3 iterations. iteration 426: trace = 2.409046497537967 (0.00168519% change) linmin: converged after 5 iterations. iteration 427: trace = 2.408980518253521 (0.00273885% change) linmin: converged after 4 iterations. iteration 428: trace = 2.408951597724842 (0.00120054% change) linmin: converged after 5 iterations. iteration 429: trace = 2.408911712310085 (0.00165573% change) linmin: converged after 5 iterations. iteration 430: trace = 2.408857624651632 (0.00224534% change) linmin: converged after 5 iterations. iteration 431: trace = 2.408833758688919 (0.000990763% change) large trace change predicted (0.00345919%) linmin: converged after 5 iterations. iteration 432: trace = 2.408750489844308 (0.00345687% change) linmin: converged after 4 iterations. iteration 433: trace = 2.408723882556862 (0.00110462% change) large trace change predicted (0.00323725%) linmin: converged after 3 iterations. iteration 434: trace = 2.408645956803237 (0.0032352% change) linmin: converged after 3 iterations. iteration 435: trace = 2.40855904776062 (0.00360828% change) linmin: converged after 7 iterations. iteration 436: trace = 2.40852618076087 (0.0013646% change) large trace change predicted (0.00364536%) linmin: converged after 3 iterations. iteration 437: trace = 2.408438436829843 (0.00364312% change) linmin: converged after 5 iterations. iteration 438: trace = 2.408395811469374 (0.00176985% change) linmin: converged after 5 iterations. iteration 439: trace = 2.408354438275061 (0.00171789% change) linmin: converged after 5 iterations. iteration 440: trace = 2.408324265818377 (0.00125283% change) linmin: converged after 4 iterations. iteration 441: trace = 2.40831169627634 (0.000521922% change) linmin: converged after 3 iterations. iteration 442: trace = 2.40829053587938 (0.000878644% change) linmin: converged after 5 iterations. iteration 443: trace = 2.408267955796463 (0.000937602% change) linmin: converged after 5 iterations. iteration 444: trace = 2.408251629156538 (0.000677943% change) large trace change predicted (0.00177254%) linmin: converged after 4 iterations. iteration 445: trace = 2.408208935315483 (0.00177283% change) linmin: converged after 10 iterations. iteration 446: trace = 2.408188852947106 (0.000833917% change) large trace change predicted (0.00302169%) linmin: converged after 6 iterations. iteration 447: trace = 2.408116129935441 (0.00301987% change) linmin: converged after 7 iterations. iteration 448: trace = 2.40804441074114 (0.00297827% change) linmin: converged after 4 iterations. iteration 449: trace = 2.407969059358527 (0.0031292% change) linmin: converged after 6 iterations. iteration 450: trace = 2.40783290126076 (0.00565464% change) linmin: converged after 4 iterations. iteration 451: trace = 2.407787768231651 (0.00187444% change) large trace change predicted (0.00463887%) linmin: converged after 5 iterations. iteration 452: trace = 2.407676120668092 (0.00463704% change) linmin: converged after 4 iterations. iteration 453: trace = 2.407607314357823 (0.00285783% change) linmin: converged after 3 iterations. iteration 454: trace = 2.407564823508349 (0.00176487% change) linmin: converged after 4 iterations. iteration 455: trace = 2.407513187509442 (0.00214476% change) linmin: converged after 5 iterations. iteration 456: trace = 2.40749394583152 (0.000799238% change) linmin: converged after 4 iterations. iteration 457: trace = 2.407465317183599 (0.00118915% change) linmin: converged after 5 iterations. iteration 458: trace = 2.407435285463889 (0.00124745% change) linmin: converged after 5 iterations. iteration 459: trace = 2.407421231867624 (0.00058376% change) linmin: converged after 5 iterations. iteration 460: trace = 2.40739663858308 (0.00102157% change) linmin: converged after 8 iterations. iteration 461: trace = 2.407391869825743 (0.000198088% change) large trace change predicted (0.000405187%) linmin: converged after 4 iterations. iteration 462: trace = 2.407382117554732 (0.000405098% change) linmin: converged after 5 iterations. iteration 463: trace = 2.407371988739161 (0.000420741% change) linmin: converged after 6 iterations. iteration 464: trace = 2.407368323197194 (0.000152263% change) large trace change predicted (0.000819017%) linmin: converged after 5 iterations. iteration 465: trace = 2.407348608001826 (0.000818956% change) linmin: converged after 5 iterations. iteration 466: trace = 2.407320938714247 (0.00114937% change) linmin: converged after 10 iterations. iteration 467: trace = 2.407297733660633 (0.000963941% change) large trace change predicted (0.00228594%) linmin: converged after 5 iterations. iteration 468: trace = 2.407242723373789 (0.00228517% change) linmin: converged after 8 iterations. iteration 469: trace = 2.40720654781344 (0.00150279% change) linmin: converged after 5 iterations. iteration 470: trace = 2.407146306511494 (0.00250257% change) linmin: converged after 5 iterations. iteration 471: trace = 2.407082264152309 (0.00266055% change) linmin: converged after 5 iterations. iteration 472: trace = 2.407055848581008 (0.00109742% change) large trace change predicted (0.00355969%) linmin: converged after 5 iterations. iteration 473: trace = 2.406970224177726 (0.00355729% change) linmin: converged after 8 iterations. iteration 474: trace = 2.406956562906117 (0.000567573% change) large trace change predicted (0.0017044%) linmin: converged after 3 iterations. iteration 475: trace = 2.406915548994534 (0.00170399% change) linmin: converged after 7 iterations. iteration 476: trace = 2.406896101819472 (0.000807974% change) linmin: converged after 7 iterations. iteration 477: trace = 2.406882530887512 (0.000563837% change) linmin: converged after 6 iterations. iteration 478: trace = 2.406855988103139 (0.00110279% change) linmin: converged after 7 iterations. iteration 479: trace = 2.406843128840322 (0.000534278% change) large trace change predicted (0.00111275%) linmin: converged after 5 iterations. iteration 480: trace = 2.406816356440344 (0.00111235% change) linmin: converged after 9 iterations. iteration 481: trace = 2.40679921446282 (0.000712229% change) linmin: converged after 4 iterations. iteration 482: trace = 2.406787672923606 (0.00047954% change) linmin: converged after 5 iterations. iteration 483: trace = 2.406766457621487 (0.000881482% change) linmin: converged after 6 iterations. iteration 484: trace = 2.40675655400014 (0.000411492% change) linmin: converged after 4 iterations. iteration 485: trace = 2.406743704842799 (0.00053388% change) linmin: converged after 8 iterations. iteration 486: trace = 2.406726019593901 (0.000734823% change) linmin: converged after 5 iterations. iteration 487: trace = 2.406709523673084 (0.000685412% change) large trace change predicted (0.00224017%) linmin: converged after 3 iterations. iteration 488: trace = 2.406655634442125 (0.00223915% change) linmin: converged after 5 iterations. iteration 489: trace = 2.406607921499178 (0.00198256% change) resetting CG direction... linmin: converged after 6 iterations. iteration 490: trace = 2.406577353469841 (0.00127018% change) linmin: converged after 3 iterations. iteration 491: trace = 2.406535606840011 (0.0017347% change) linmin: converged after 5 iterations. iteration 492: trace = 2.406515557267451 (0.000833134% change) linmin: converged after 5 iterations. iteration 493: trace = 2.406494854422019 (0.000860287% change) linmin: converged after 5 iterations. iteration 494: trace = 2.40648216873415 (0.000527145% change) linmin: converged after 4 iterations. iteration 495: trace = 2.406469747133563 (0.000516174% change) linmin: converged after 3 iterations. iteration 496: trace = 2.406458604675681 (0.000463022% change) linmin: converged after 5 iterations. iteration 497: trace = 2.40644924364477 (0.000388997% change) linmin: converged after 5 iterations. iteration 498: trace = 2.406436362949932 (0.000535259% change) linmin: converged after 5 iterations. iteration 499: trace = 2.406425912722062 (0.000434262% change) linmin: converged after 8 iterations. iteration 500: trace = 2.406408206195094 (0.000735805% change) linmin: converged after 5 iterations. iteration 501: trace = 2.406399831903613 (0.000348% change) large trace change predicted (0.00102533%) linmin: converged after 4 iterations. iteration 502: trace = 2.406375162572453 (0.00102516% change) linmin: converged after 6 iterations. iteration 503: trace = 2.406368754749756 (0.000266286% change) large trace change predicted (0.000956394%) linmin: converged after 6 iterations. iteration 504: trace = 2.40634574424264 (0.000956238% change) linmin: converged after 5 iterations. iteration 505: trace = 2.40633634165313 (0.000390742% change) large trace change predicted (0.00104053%) linmin: converged after 7 iterations. iteration 506: trace = 2.406311303663279 (0.00104051% change) linmin: converged after 3 iterations. iteration 507: trace = 2.406282012293107 (0.00121728% change) linmin: converged after 6 iterations. iteration 508: trace = 2.406252394795445 (0.00123085% change) large trace change predicted (0.00287277%) linmin: converged after 3 iterations. iteration 509: trace = 2.406183275736447 (0.00287252% change) linmin: converged after 5 iterations. iteration 510: trace = 2.406167799963178 (0.000643169% change) large trace change predicted (0.00310487%) linmin: converged after 3 iterations. iteration 511: trace = 2.406093092633135 (0.00310487% change) linmin: converged after 6 iterations. iteration 512: trace = 2.40606550935689 (0.0011464% change) linmin: converged after 4 iterations. iteration 513: trace = 2.406030763884062 (0.00144409% change) linmin: converged after 5 iterations. iteration 514: trace = 2.405985200000722 (0.00189375% change) linmin: converged after 6 iterations. iteration 515: trace = 2.405977083049585 (0.000337366% change) large trace change predicted (0.000846986%) linmin: converged after 5 iterations. iteration 516: trace = 2.405956703960279 (0.000847023% change) linmin: converged after 5 iterations. iteration 517: trace = 2.405948889548555 (0.000324795% change) linmin: converged after 4 iterations. iteration 518: trace = 2.405942061190459 (0.000283812% change) linmin: converged after 6 iterations. iteration 519: trace = 2.405932907864458 (0.000380447% change) linmin: converged after 4 iterations. iteration 520: trace = 2.405927320727572 (0.000232224% change) large trace change predicted (0.000801157%) linmin: converged after 3 iterations. iteration 521: trace = 2.405908049116966 (0.000801009% change) linmin: converged after 3 iterations. iteration 522: trace = 2.405888764793276 (0.000801544% change) linmin: converged after 5 iterations. iteration 523: trace = 2.405870443131441 (0.000761537% change) large trace change predicted (0.00173729%) linmin: converged after 5 iterations. iteration 524: trace = 2.405828663686648 (0.00173658% change) linmin: converged after 3 iterations. iteration 525: trace = 2.405806952981375 (0.000902425% change) large trace change predicted (0.00211944%) linmin: converged after 5 iterations. iteration 526: trace = 2.405755987820135 (0.00211845% change) linmin: converged after 4 iterations. iteration 527: trace = 2.405709075327722 (0.00195003% change) linmin: converged after 8 iterations. iteration 528: trace = 2.405669623857619 (0.00163992% change) large trace change predicted (0.00463582%) linmin: converged after 5 iterations. iteration 529: trace = 2.405558119950058 (0.00463515% change) linmin: converged after 5 iterations. iteration 530: trace = 2.405513842306455 (0.00184066% change) large trace change predicted (0.00507465%) linmin: converged after 3 iterations. iteration 531: trace = 2.405391805640254 (0.00507333% change) linmin: converged after 5 iterations. iteration 532: trace = 2.405302776466054 (0.0037013% change) linmin: converged after 6 iterations. iteration 533: trace = 2.405225670469314 (0.00320572% change) linmin: converged after 5 iterations. iteration 534: trace = 2.405125384558691 (0.00416959% change) linmin: converged after 4 iterations. iteration 535: trace = 2.405094607781826 (0.00127964% change) large trace change predicted (0.00304987%) linmin: converged after 9 iterations. iteration 536: trace = 2.405021257228067 (0.00304985% change) linmin: converged after 4 iterations. iteration 537: trace = 2.405009384037696 (0.000493685% change) large trace change predicted (0.00132184%) linmin: converged after 4 iterations. iteration 538: trace = 2.404977586892497 (0.00132213% change) linmin: converged after 6 iterations. iteration 539: trace = 2.404959988643492 (0.000731745% change) linmin: converged after 5 iterations. iteration 540: trace = 2.404946988248541 (0.000540567% change) large trace change predicted (0.0015967%) linmin: converged after 5 iterations. iteration 541: trace = 2.404908573238 (0.00159735% change) linmin: converged after 6 iterations. iteration 542: trace = 2.404896154483712 (0.000516393% change) large trace change predicted (0.00287666%) linmin: converged after 4 iterations. iteration 543: trace = 2.404826963510332 (0.00287713% change) linmin: converged after 6 iterations. iteration 544: trace = 2.404787406254018 (0.00164492% change) linmin: converged after 5 iterations. iteration 545: trace = 2.404736044893518 (0.00213582% change) large trace change predicted (0.00443929%) linmin: converged after 3 iterations. iteration 546: trace = 2.404629294934921 (0.00443925% change) linmin: converged after 6 iterations. iteration 547: trace = 2.4045845791738 (0.00185959% change) large trace change predicted (0.00466007%) linmin: converged after 4 iterations. iteration 548: trace = 2.404472586290214 (0.00465758% change) linmin: converged after 6 iterations. iteration 549: trace = 2.404434488341275 (0.00158447% change) large trace change predicted (0.00443587%) linmin: converged after 4 iterations. iteration 550: trace = 2.404327823952165 (0.00443625% change) linmin: converged after 4 iterations. iteration 551: trace = 2.404304216127492 (0.000981894% change) large trace change predicted (0.00258222%) linmin: converged after 7 iterations. iteration 552: trace = 2.404242123612877 (0.00258259% change) linmin: converged after 12 iterations. iteration 553: trace = 2.404215922729015 (0.00108978% change) linmin: converged after 5 iterations. iteration 554: trace = 2.404164655472735 (0.00213241% change) linmin: converged after 5 iterations. iteration 555: trace = 2.404122910393553 (0.00173638% change) linmin: converged after 4 iterations. iteration 556: trace = 2.404058275216116 (0.00268855% change) linmin: converged after 8 iterations. iteration 557: trace = 2.404006846623001 (0.00213926% change) linmin: converged after 5 iterations. iteration 558: trace = 2.403950806811292 (0.00233113% change) linmin: converged after 6 iterations. iteration 559: trace = 2.403897883883366 (0.00220152% change) resetting CG direction... linmin: converged after 6 iterations. iteration 560: trace = 2.403878736992528 (0.000796497% change) linmin: converged after 4 iterations. iteration 561: trace = 2.403846928345224 (0.00132323% change) linmin: converged after 6 iterations. iteration 562: trace = 2.403824804924251 (0.000920338% change) linmin: converged after 4 iterations. iteration 563: trace = 2.40380664787852 (0.000755343% change) large trace change predicted (0.00190861%) linmin: converged after 4 iterations. iteration 564: trace = 2.403760773619517 (0.00190842% change) linmin: converged after 6 iterations. iteration 565: trace = 2.403736551598012 (0.00100768% change) large trace change predicted (0.00387845%) linmin: converged after 4 iterations. iteration 566: trace = 2.403643348766122 (0.00387749% change) linmin: converged after 7 iterations. iteration 567: trace = 2.403544438471036 (0.0041151% change) linmin: converged after 4 iterations. iteration 568: trace = 2.40348158036816 (0.00261526% change) linmin: converged after 7 iterations. iteration 569: trace = 2.403363671687726 (0.00490587% change) linmin: converged after 5 iterations. iteration 570: trace = 2.403297018360325 (0.00277337% change) linmin: converged after 5 iterations. iteration 571: trace = 2.403255147059998 (0.00174226% change) linmin: converged after 6 iterations. iteration 572: trace = 2.40317455990013 (0.00335331% change) linmin: converged after 6 iterations. iteration 573: trace = 2.403154186498361 (0.000847774% change) large trace change predicted (0.00360817%) linmin: converged after 4 iterations. iteration 574: trace = 2.4030674909499 (0.00360764% change) linmin: converged after 4 iterations. iteration 575: trace = 2.403012650267774 (0.00228214% change) linmin: converged after 3 iterations. iteration 576: trace = 2.402962873066075 (0.00207147% change) linmin: converged after 3 iterations. iteration 577: trace = 2.402919977614044 (0.00178512% change) linmin: converged after 4 iterations. iteration 578: trace = 2.402896733822861 (0.000967319% change) large trace change predicted (0.00204625%) linmin: converged after 5 iterations. iteration 579: trace = 2.402847577715611 (0.00204572% change) linmin: converged after 4 iterations. iteration 580: trace = 2.402807033410863 (0.00168736% change) linmin: converged after 3 iterations. iteration 581: trace = 2.402777532535984 (0.00122777% change) linmin: converged after 3 iterations. iteration 582: trace = 2.402739930900951 (0.00156494% change) linmin: converged after 5 iterations. iteration 583: trace = 2.402720125343526 (0.000824294% change) linmin: converged after 4 iterations. iteration 584: trace = 2.402687763069366 (0.00134691% change) large trace change predicted (0.00290311%) linmin: converged after 5 iterations. iteration 585: trace = 2.402618052886326 (0.00290138% change) linmin: converged after 5 iterations. iteration 586: trace = 2.402590772605703 (0.00113545% change) large trace change predicted (0.00576794%) linmin: converged after 9 iterations. iteration 587: trace = 2.402452368751609 (0.00576077% change) linmin: converged after 3 iterations. iteration 588: trace = 2.402340839589299 (0.00464241% change) linmin: converged after 7 iterations. iteration 589: trace = 2.402226500440043 (0.0047596% change) linmin: converged after 5 iterations. iteration 590: trace = 2.402094160427195 (0.00550921% change) linmin: converged after 4 iterations. iteration 591: trace = 2.402028738734665 (0.00272356% change) linmin: converged after 8 iterations. iteration 592: trace = 2.40193632985058 (0.00384719% change) linmin: converged after 5 iterations. iteration 593: trace = 2.401875892730049 (0.00251621% change) linmin: converged after 12 iterations. iteration 594: trace = 2.40185769126464 (0.000757805% change) large trace change predicted (0.00158397%) linmin: converged after 4 iterations. iteration 595: trace = 2.401819651080237 (0.00158379% change) linmin: converged after 3 iterations. iteration 596: trace = 2.401807708348334 (0.000497238% change) linmin: converged after 4 iterations. iteration 597: trace = 2.401792593061487 (0.000629332% change) linmin: converged after 5 iterations. iteration 598: trace = 2.401768947664185 (0.000984494% change) linmin: converged after 6 iterations. iteration 599: trace = 2.401762216460676 (0.000280261% change) large trace change predicted (0.00105261%) linmin: converged after 3 iterations. iteration 600: trace = 2.4017369389012 (0.00105246% change) linmin: converged after 6 iterations. iteration 601: trace = 2.401727062384461 (0.000411225% change) linmin: converged after 5 iterations. iteration 602: trace = 2.401714255105116 (0.000533254% change) linmin: converged after 4 iterations. iteration 603: trace = 2.4016968970432 (0.000722739% change) linmin: converged after 6 iterations. iteration 604: trace = 2.401688806682655 (0.000336861% change) large trace change predicted (0.00113936%) linmin: converged after 7 iterations. iteration 605: trace = 2.401661449259016 (0.0011391% change) linmin: converged after 4 iterations. iteration 606: trace = 2.401620882925068 (0.00168911% change) linmin: converged after 13 iterations. iteration 607: trace = 2.401575027100097 (0.00190939% change) large trace change predicted (0.00394296%) linmin: converged after 3 iterations. iteration 608: trace = 2.401480388969659 (0.00394075% change) linmin: converged after 5 iterations. iteration 609: trace = 2.401406990288653 (0.00305644% change) linmin: converged after 8 iterations. iteration 610: trace = 2.401317376248728 (0.0037318% change) linmin: converged after 5 iterations. iteration 611: trace = 2.401245887182211 (0.00297712% change) linmin: converged after 5 iterations. iteration 612: trace = 2.401228773172378 (0.000712716% change) large trace change predicted (0.00156302%) linmin: converged after 5 iterations. iteration 613: trace = 2.4011912330083 (0.00156339% change) linmin: converged after 5 iterations. iteration 614: trace = 2.401176877196626 (0.000597864% change) linmin: converged after 6 iterations. iteration 615: trace = 2.401157429605223 (0.000809922% change) linmin: converged after 5 iterations. iteration 616: trace = 2.401137025417903 (0.000849768% change) linmin: converged after 5 iterations. iteration 617: trace = 2.401129955714504 (0.000294432% change) large trace change predicted (0.000844026%) linmin: converged after 4 iterations. iteration 618: trace = 2.401109689483699 (0.000844032% change) linmin: converged after 5 iterations. iteration 619: trace = 2.401091065937965 (0.000775625% change) linmin: converged after 5 iterations. iteration 620: trace = 2.401073869481546 (0.000716196% change) linmin: converged after 5 iterations. iteration 621: trace = 2.401045611149328 (0.00117691% change) linmin: converged after 5 iterations. iteration 622: trace = 2.401024789401927 (0.000867199% change) linmin: converged after 7 iterations. iteration 623: trace = 2.400985585103309 (0.00163283% change) linmin: converged after 5 iterations. iteration 624: trace = 2.400950516491264 (0.0014606% change) linmin: converged after 6 iterations. iteration 625: trace = 2.400921724514769 (0.0011992% change) large trace change predicted (0.00442853%) linmin: converged after 5 iterations. iteration 626: trace = 2.400815436912767 (0.00442705% change) linmin: converged after 5 iterations. iteration 627: trace = 2.400758891856712 (0.00235527% change) linmin: converged after 4 iterations. iteration 628: trace = 2.400674889902897 (0.00349904% change) linmin: converged after 5 iterations. iteration 629: trace = 2.400539021663387 (0.00565975% change) resetting CG direction... linmin: converged after 6 iterations. iteration 630: trace = 2.400448940520251 (0.00375261% change) linmin: converged after 8 iterations. iteration 631: trace = 2.400371093998 (0.00324305% change) linmin: converged after 5 iterations. iteration 632: trace = 2.40029571307695 (0.00314044% change) linmin: converged after 5 iterations. iteration 633: trace = 2.400212714335126 (0.00345791% change) linmin: converged after 4 iterations. iteration 634: trace = 2.40014741730044 (0.00272051% change) linmin: converged after 3 iterations. iteration 635: trace = 2.400133591440214 (0.000576044% change) large trace change predicted (0.00171384%) linmin: converged after 5 iterations. iteration 636: trace = 2.40009246268975 (0.00171362% change) linmin: converged after 5 iterations. iteration 637: trace = 2.400072356913596 (0.000837712% change) linmin: converged after 5 iterations. iteration 638: trace = 2.400056653307066 (0.000654299% change) linmin: converged after 3 iterations. iteration 639: trace = 2.400032143309593 (0.00102123% change) linmin: converged after 5 iterations. iteration 640: trace = 2.40002288274058 (0.000385853% change) large trace change predicted (0.000883049%) linmin: converged after 13 iterations. iteration 641: trace = 2.400001691594345 (0.00088296% change) linmin: converged after 4 iterations. iteration 642: trace = 2.399982044273439 (0.000818641% change) linmin: converged after 4 iterations. iteration 643: trace = 2.399976069778171 (0.000248939% change) large trace change predicted (0.0010033%) linmin: converged after 3 iterations. iteration 644: trace = 2.399951987441472 (0.00100345% change) linmin: converged after 8 iterations. iteration 645: trace = 2.39993237997668 (0.000816997% change) linmin: converged after 5 iterations. iteration 646: trace = 2.399910671704903 (0.000904541% change) large trace change predicted (0.00251589%) linmin: converged after 3 iterations. iteration 647: trace = 2.399850284857141 (0.00251624% change) linmin: converged after 5 iterations. iteration 648: trace = 2.399829116036321 (0.000882093% change) large trace change predicted (0.00376049%) linmin: converged after 4 iterations. iteration 649: trace = 2.399738897782539 (0.00375943% change) linmin: converged after 4 iterations. iteration 650: trace = 2.399670075442045 (0.00286795% change) linmin: converged after 5 iterations. iteration 651: trace = 2.399601011617795 (0.0028781% change) linmin: converged after 5 iterations. iteration 652: trace = 2.399548364891094 (0.002194% change) linmin: converged after 4 iterations. iteration 653: trace = 2.399520651546327 (0.00115495% change) linmin: converged after 3 iterations. iteration 654: trace = 2.399494804205672 (0.00107719% change) linmin: converged after 5 iterations. iteration 655: trace = 2.399480070121222 (0.000614051% change) linmin: converged after 6 iterations. iteration 656: trace = 2.399470795435928 (0.00038653% change) linmin: converged after 3 iterations. iteration 657: trace = 2.399454389865875 (0.000683719% change) linmin: converged after 3 iterations. iteration 658: trace = 2.399445758108693 (0.000359739% change) linmin: converged after 4 iterations. iteration 659: trace = 2.399429786331971 (0.000665647% change) linmin: converged after 4 iterations. iteration 660: trace = 2.399407385281236 (0.000933603% change) linmin: converged after 5 iterations. iteration 661: trace = 2.399400282885068 (0.000296007% change) large trace change predicted (0.00109265%) linmin: converged after 4 iterations. iteration 662: trace = 2.399374067441653 (0.00109259% change) linmin: converged after 2 iterations. iteration 663: trace = 2.399347448526156 (0.00110942% change) linmin: converged after 5 iterations. iteration 664: trace = 2.399318769618348 (0.00119529% change) linmin: converged after 3 iterations. iteration 665: trace = 2.399261852897858 (0.00237223% change) linmin: converged after 5 iterations. iteration 666: trace = 2.399224078485799 (0.00157443% change) linmin: converged after 6 iterations. iteration 667: trace = 2.399149865363118 (0.00309326% change) linmin: converged after 4 iterations. iteration 668: trace = 2.399045479083078 (0.00435106% change) linmin: converged after 5 iterations. iteration 669: trace = 2.398983133645272 (0.00259879% change) large trace change predicted (0.00770133%) linmin: converged after 6 iterations. iteration 670: trace = 2.398798508777453 (0.00769626% change) linmin: converged after 4 iterations. iteration 671: trace = 2.398750961747214 (0.00198214% change) linmin: converged after 5 iterations. iteration 672: trace = 2.398656098098674 (0.00395479% change) linmin: converged after 5 iterations. iteration 673: trace = 2.398623906945157 (0.00134206% change) linmin: converged after 4 iterations. iteration 674: trace = 2.398590914172487 (0.0013755% change) linmin: converged after 5 iterations. iteration 675: trace = 2.398551154052113 (0.00165766% change) linmin: converged after 5 iterations. iteration 676: trace = 2.398538875067128 (0.000511935% change) large trace change predicted (0.00181828%) linmin: converged after 5 iterations. iteration 677: trace = 2.398495268381243 (0.00181807% change) linmin: converged after 3 iterations. iteration 678: trace = 2.398483221762058 (0.000502259% change) large trace change predicted (0.00130369%) linmin: converged after 3 iterations. iteration 679: trace = 2.398451938659577 (0.0013043% change) linmin: converged after 6 iterations. iteration 680: trace = 2.398417031338629 (0.00145542% change) linmin: converged after 5 iterations. iteration 681: trace = 2.398395109550561 (0.000914015% change) large trace change predicted (0.00298605%) linmin: converged after 8 iterations. iteration 682: trace = 2.398323449625818 (0.00298787% change) linmin: converged after 7 iterations. iteration 683: trace = 2.398292693103413 (0.00128243% change) large trace change predicted (0.00328961%) linmin: converged after 4 iterations. iteration 684: trace = 2.398213734195218 (0.00329235% change) linmin: converged after 4 iterations. iteration 685: trace = 2.398151947224186 (0.00257641% change) linmin: converged after 4 iterations. iteration 686: trace = 2.398116045969583 (0.00149705% change) linmin: converged after 4 iterations. iteration 687: trace = 2.398057448788226 (0.0024435% change) linmin: converged after 6 iterations. iteration 688: trace = 2.398025803033653 (0.00131965% change) linmin: converged after 3 iterations. iteration 689: trace = 2.397968309028343 (0.00239758% change) linmin: converged after 5 iterations. iteration 690: trace = 2.397902171888899 (0.00275809% change) linmin: converged after 4 iterations. iteration 691: trace = 2.397833284827112 (0.00287285% change) linmin: converged after 4 iterations. iteration 692: trace = 2.397760860037896 (0.00302047% change) linmin: converged after 4 iterations. iteration 693: trace = 2.397733520417618 (0.00114022% change) linmin: converged after 4 iterations. iteration 694: trace = 2.397694622929557 (0.00162227% change) linmin: converged after 5 iterations. iteration 695: trace = 2.39767835630367 (0.00067843% change) linmin: converged after 4 iterations. iteration 696: trace = 2.397661745955241 (0.00069277% change) linmin: converged after 4 iterations. iteration 697: trace = 2.397645132146407 (0.00069292% change) linmin: converged after 5 iterations. iteration 698: trace = 2.397638068288229 (0.000294617% change) large trace change predicted (0.00165669%) linmin: converged after 5 iterations. iteration 699: trace = 2.397598347211788 (0.00165669% change) resetting CG direction... linmin: converged after 7 iterations. iteration 700: trace = 2.39758239410961 (0.000665381% change) linmin: converged after 5 iterations. iteration 701: trace = 2.397560443954596 (0.000915516% change) linmin: converged after 3 iterations. iteration 702: trace = 2.397545454380746 (0.000625203% change) linmin: converged after 6 iterations. iteration 703: trace = 2.397538502714289 (0.00028995% change) large trace change predicted (0.00101637%) linmin: converged after 4 iterations. iteration 704: trace = 2.397514137251211 (0.00101628% change) linmin: converged after 5 iterations. iteration 705: trace = 2.397487682420538 (0.00110343% change) linmin: converged after 5 iterations. iteration 706: trace = 2.397462487788958 (0.00105088% change) large trace change predicted (0.00331332%) linmin: converged after 6 iterations. iteration 707: trace = 2.397383085367669 (0.00331199% change) linmin: converged after 4 iterations. iteration 708: trace = 2.397357524252455 (0.00106621% change) large trace change predicted (0.0028161%) linmin: converged after 3 iterations. iteration 709: trace = 2.397290013001008 (0.00281611% change) linmin: converged after 4 iterations. iteration 710: trace = 2.397218757445285 (0.00297238% change) linmin: converged after 4 iterations. iteration 711: trace = 2.397199565464883 (0.000800597% change) large trace change predicted (0.00324724%) linmin: converged after 3 iterations. iteration 712: trace = 2.397121751801342 (0.00324608% change) linmin: converged after 6 iterations. iteration 713: trace = 2.397095605362654 (0.00109075% change) large trace change predicted (0.00230687%) linmin: converged after 5 iterations. iteration 714: trace = 2.397040332562358 (0.00230585% change) linmin: converged after 3 iterations. iteration 715: trace = 2.396987519520442 (0.00220328% change) linmin: converged after 4 iterations. iteration 716: trace = 2.396960538556553 (0.00112563% change) linmin: converged after 8 iterations. iteration 717: trace = 2.396910801167665 (0.00207504% change) linmin: converged after 5 iterations. iteration 718: trace = 2.396865981324696 (0.00186992% change) linmin: converged after 5 iterations. iteration 719: trace = 2.396844753180099 (0.000885666% change) linmin: converged after 3 iterations. iteration 720: trace = 2.396807971416041 (0.0015346% change) linmin: converged after 4 iterations. iteration 721: trace = 2.396794629674081 (0.000556648% change) linmin: converged after 5 iterations. iteration 722: trace = 2.396769430129229 (0.00105139% change) linmin: converged after 6 iterations. iteration 723: trace = 2.396746799016373 (0.000944238% change) linmin: converged after 5 iterations. iteration 724: trace = 2.396737231229561 (0.0003992% change) large trace change predicted (0.00148121%) linmin: converged after 3 iterations. iteration 725: trace = 2.396701734334349 (0.00148106% change) linmin: converged after 4 iterations. iteration 726: trace = 2.396684811167906 (0.000706105% change) large trace change predicted (0.00257885%) linmin: converged after 3 iterations. iteration 727: trace = 2.396623013363413 (0.0025785% change) linmin: converged after 5 iterations. iteration 728: trace = 2.396562471766473 (0.00252615% change) linmin: converged after 4 iterations. iteration 729: trace = 2.396485807362582 (0.00319898% change) linmin: converged after 4 iterations. iteration 730: trace = 2.396398629990256 (0.00363778% change) linmin: converged after 5 iterations. iteration 731: trace = 2.396364140161586 (0.00143925% change) large trace change predicted (0.00343283%) linmin: converged after 4 iterations. iteration 732: trace = 2.396281906195748 (0.00343167% change) linmin: converged after 5 iterations. iteration 733: trace = 2.396257498895117 (0.00101855% change) large trace change predicted (0.00238498%) linmin: converged after 5 iterations. iteration 734: trace = 2.396200374211696 (0.00238394% change) linmin: converged after 3 iterations. iteration 735: trace = 2.396187510478526 (0.00053684% change) large trace change predicted (0.0010834%) linmin: converged after 4 iterations. iteration 736: trace = 2.396161559473703 (0.00108302% change) linmin: converged after 6 iterations. iteration 737: trace = 2.3961481230029 (0.000560751% change) linmin: converged after 9 iterations. iteration 738: trace = 2.396141443781758 (0.000278749% change) large trace change predicted (0.000670855%) linmin: converged after 5 iterations. iteration 739: trace = 2.396125373143394 (0.00067069% change) linmin: converged after 5 iterations. iteration 740: trace = 2.396120352721215 (0.000209523% change) large trace change predicted (0.000748139%) linmin: converged after 10 iterations. iteration 741: trace = 2.396102427987452 (0.000748076% change) linmin: converged after 8 iterations. iteration 742: trace = 2.396097685709103 (0.000197917% change) linmin: converged after 4 iterations. iteration 743: trace = 2.39608858187457 (0.000379945% change) linmin: converged after 4 iterations. iteration 744: trace = 2.396080477902917 (0.000338217% change) linmin: converged after 5 iterations. iteration 745: trace = 2.396075994320579 (0.000187122% change) large trace change predicted (0.000530055%) linmin: converged after 7 iterations. iteration 746: trace = 2.396063294660862 (0.00053002% change) linmin: converged after 5 iterations. iteration 747: trace = 2.39605513662636 (0.000340477% change) large trace change predicted (0.00128155%) linmin: converged after 4 iterations. iteration 748: trace = 2.39602443907263 (0.00128118% change) linmin: converged after 8 iterations. iteration 749: trace = 2.396006591380845 (0.00074489% change) large trace change predicted (0.00186507%) linmin: converged after 5 iterations. iteration 750: trace = 2.395961906998437 (0.00186497% change) linmin: converged after 8 iterations. iteration 751: trace = 2.395927109489925 (0.00145235% change) linmin: converged after 7 iterations. iteration 752: trace = 2.395890786887048 (0.00151603% change) linmin: converged after 8 iterations. iteration 753: trace = 2.395866619214188 (0.00100872% change) linmin: converged after 4 iterations. iteration 754: trace = 2.395835828704396 (0.00128516% change) linmin: converged after 7 iterations. iteration 755: trace = 2.395818046340084 (0.000742222% change) linmin: converged after 6 iterations. iteration 756: trace = 2.395795347878103 (0.000947425% change) linmin: converged after 6 iterations. iteration 757: trace = 2.395778228352431 (0.000714568% change) linmin: converged after 3 iterations. iteration 758: trace = 2.395769799862759 (0.000351807% change) linmin: converged after 7 iterations. iteration 759: trace = 2.395759081764716 (0.000447377% change) linmin: converged after 3 iterations. iteration 760: trace = 2.39575280926562 (0.000261817% change) linmin: converged after 5 iterations. iteration 761: trace = 2.39574707387441 (0.000239399% change) linmin: converged after 5 iterations. iteration 762: trace = 2.395737719989556 (0.000390438% change) linmin: converged after 5 iterations. iteration 763: trace = 2.395733826987011 (0.000162497% change) large trace change predicted (0.000701611%) linmin: converged after 8 iterations. iteration 764: trace = 2.395717020918321 (0.000701502% change) linmin: converged after 3 iterations. iteration 765: trace = 2.395713145706522 (0.000161756% change) large trace change predicted (0.000956725%) linmin: converged after 5 iterations. iteration 766: trace = 2.395690221195577 (0.000956902% change) linmin: converged after 8 iterations. iteration 767: trace = 2.395682105396979 (0.000338767% change) large trace change predicted (0.000729102%) linmin: converged after 4 iterations. iteration 768: trace = 2.395664636191873 (0.000729198% change) linmin: converged after 5 iterations. iteration 769: trace = 2.395652041868552 (0.000525715% change) resetting CG direction... linmin: converged after 5 iterations. iteration 770: trace = 2.395642452366607 (0.000400289% change) linmin: converged after 9 iterations. iteration 771: trace = 2.395629260225946 (0.000550674% change) linmin: converged after 3 iterations. iteration 772: trace = 2.395618048162598 (0.000468023% change) linmin: converged after 5 iterations. iteration 773: trace = 2.395610174871793 (0.000328654% change) linmin: converged after 3 iterations. iteration 774: trace = 2.395596566662333 (0.000568049% change) linmin: converged after 6 iterations. iteration 775: trace = 2.395590051652562 (0.000271958% change) large trace change predicted (0.000806528%) linmin: converged after 6 iterations. iteration 776: trace = 2.395570730932862 (0.000806515% change) linmin: converged after 5 iterations. iteration 777: trace = 2.395565290115732 (0.00022712% change) large trace change predicted (0.000498756%) linmin: converged after 4 iterations. iteration 778: trace = 2.395553340709094 (0.000498815% change) linmin: converged after 4 iterations. iteration 779: trace = 2.39554568390412 (0.000319626% change) linmin: converged after 17 iterations. iteration 780: trace = 2.395541431298903 (0.000177522% change) large trace change predicted (0.00049215%) linmin: converged after 4 iterations. iteration 781: trace = 2.395529642298953 (0.000492124% change) linmin: converged after 4 iterations. iteration 782: trace = 2.395525068614838 (0.000190926% change) large trace change predicted (0.00079864%) linmin: converged after 3 iterations. iteration 783: trace = 2.395505939577015 (0.000798535% change) linmin: converged after 6 iterations. iteration 784: trace = 2.395495457574481 (0.00043757% change) large trace change predicted (0.00153707%) linmin: converged after 4 iterations. iteration 785: trace = 2.395458640239006 (0.00153695% change) linmin: converged after 5 iterations. iteration 786: trace = 2.395426780773616 (0.00133% change) linmin: converged after 6 iterations. iteration 787: trace = 2.395395614327688 (0.00130109% change) linmin: converged after 4 iterations. iteration 788: trace = 2.395347753316066 (0.00199806% change) linmin: converged after 15 iterations. iteration 789: trace = 2.395336200484313 (0.000482304% change) large trace change predicted (0.00110779%) linmin: converged after 5 iterations. iteration 790: trace = 2.395309659115983 (0.00110805% change) linmin: converged after 5 iterations. iteration 791: trace = 2.395305541536678 (0.000171902% change) large trace change predicted (0.000426853%) linmin: converged after 4 iterations. iteration 792: trace = 2.395295317112858 (0.000426854% change) linmin: converged after 6 iterations. iteration 793: trace = 2.395291607935198 (0.000154853% change) linmin: converged after 4 iterations. iteration 794: trace = 2.395284881369466 (0.000280825% change) linmin: converged after 3 iterations. iteration 795: trace = 2.395282314882131 (0.000107148% change) large trace change predicted (0.000363795%) linmin: converged after 5 iterations. iteration 796: trace = 2.395273600083791 (0.000363832% change) linmin: converged after 5 iterations. iteration 797: trace = 2.395271223154673 (9.92342e-05% change) large trace change predicted (0.000340884%) linmin: converged after 2 iterations. iteration 798: trace = 2.39526305787462 (0.000340892% change) linmin: converged after 5 iterations. iteration 799: trace = 2.395260394965665 (0.000111174% change) large trace change predicted (0.000431369%) linmin: converged after 6 iterations. iteration 800: trace = 2.395250061116095 (0.00043143% change) linmin: converged after 4 iterations. iteration 801: trace = 2.395245413649938 (0.000194029% change) large trace change predicted (0.000569044%) linmin: converged after 4 iterations. iteration 802: trace = 2.395231784161364 (0.000569024% change) linmin: converged after 3 iterations. iteration 803: trace = 2.395223581441534 (0.000342461% change) linmin: converged after 5 iterations. iteration 804: trace = 2.395207934722523 (0.000653249% change) linmin: converged after 3 iterations. iteration 805: trace = 2.395196120649871 (0.000493239% change) linmin: converged after 5 iterations. iteration 806: trace = 2.395178716878824 (0.000726614% change) linmin: converged after 5 iterations. iteration 807: trace = 2.395148199747699 (0.00127411% change) linmin: converged after 5 iterations. iteration 808: trace = 2.395137434610638 (0.000449457% change) large trace change predicted (0.00167401%) linmin: converged after 4 iterations. iteration 809: trace = 2.395097334971058 (0.00167422% change) linmin: converged after 6 iterations. iteration 810: trace = 2.395079604739446 (0.000740275% change) large trace change predicted (0.00207408%) linmin: converged after 4 iterations. iteration 811: trace = 2.395029918711579 (0.00207453% change) linmin: converged after 6 iterations. iteration 812: trace = 2.395008690784144 (0.000886336% change) large trace change predicted (0.00240346%) linmin: converged after 7 iterations. iteration 813: trace = 2.394951105525065 (0.00240442% change) linmin: converged after 5 iterations. iteration 814: trace = 2.394938116298908 (0.00054236% change) large trace change predicted (0.00136867%) linmin: converged after 13 iterations. iteration 815: trace = 2.394905336611201 (0.00136872% change) linmin: converged after 6 iterations. iteration 816: trace = 2.394892346720609 (0.000542398% change) linmin: converged after 4 iterations. iteration 817: trace = 2.394879298712001 (0.000544828% change) linmin: converged after 7 iterations. iteration 818: trace = 2.394869403121697 (0.000413199% change) linmin: converged after 3 iterations. iteration 819: trace = 2.394861454864876 (0.000331887% change) linmin: converged after 5 iterations. iteration 820: trace = 2.394853691918189 (0.000324151% change) linmin: converged after 4 iterations. iteration 821: trace = 2.394847429933353 (0.000261477% change) linmin: converged after 7 iterations. iteration 822: trace = 2.394837501342926 (0.000414582% change) linmin: converged after 5 iterations. iteration 823: trace = 2.39483302852368 (0.000186769% change) large trace change predicted (0.000876756%) linmin: converged after 4 iterations. iteration 824: trace = 2.394812023301695 (0.00087711% change) linmin: converged after 6 iterations. iteration 825: trace = 2.394804586080783 (0.000310556% change) large trace change predicted (0.00093003%) linmin: converged after 3 iterations. iteration 826: trace = 2.394782307915482 (0.000930275% change) linmin: converged after 5 iterations. iteration 827: trace = 2.394769386045013 (0.000539586% change) large trace change predicted (0.00117236%) linmin: converged after 6 iterations. iteration 828: trace = 2.394741300849612 (0.00117278% change) linmin: converged after 5 iterations. iteration 829: trace = 2.394720862647654 (0.000853465% change) linmin: converged after 6 iterations. iteration 830: trace = 2.394704186977982 (0.000696354% change) linmin: converged after 4 iterations. iteration 831: trace = 2.394682849252985 (0.000891042% change) linmin: converged after 6 iterations. iteration 832: trace = 2.39467402733472 (0.000368397% change) large trace change predicted (0.00107963%) linmin: converged after 3 iterations. iteration 833: trace = 2.394648178904071 (0.00107942% change) linmin: converged after 6 iterations. iteration 834: trace = 2.394641160982183 (0.000293067% change) large trace change predicted (0.000861246%) linmin: converged after 6 iterations. iteration 835: trace = 2.394620539422801 (0.000861158% change) linmin: converged after 6 iterations. iteration 836: trace = 2.394608537546642 (0.000501203% change) linmin: converged after 4 iterations. iteration 837: trace = 2.394588612079556 (0.000832101% change) linmin: converged after 3 iterations. iteration 838: trace = 2.394574852354423 (0.000574619% change) linmin: converged after 5 iterations. iteration 839: trace = 2.39455216210991 (0.000947573% change) resetting CG direction... linmin: converged after 5 iterations. iteration 840: trace = 2.394540823701043 (0.00047351% change) linmin: converged after 4 iterations. iteration 841: trace = 2.394527776114812 (0.00054489% change) linmin: converged after 5 iterations. iteration 842: trace = 2.394523660121363 (0.000171892% change) linmin: converged after 6 iterations. iteration 843: trace = 2.394518063110889 (0.000233742% change) linmin: converged after 2 iterations. iteration 844: trace = 2.394509803044171 (0.000344958% change) linmin: converged after 5 iterations. iteration 845: trace = 2.394507760696138 (8.5293e-05% change) large trace change predicted (0.000436312%) linmin: converged after 4 iterations. iteration 846: trace = 2.394497313427193 (0.000436302% change) linmin: converged after 4 iterations. iteration 847: trace = 2.394490362233961 (0.000290299% change) linmin: converged after 6 iterations. iteration 848: trace = 2.394477476693619 (0.000538134% change) linmin: converged after 5 iterations. iteration 849: trace = 2.394464689887249 (0.000534014% change) linmin: converged after 5 iterations. iteration 850: trace = 2.394458144136741 (0.00027337% change) large trace change predicted (0.000877888%) linmin: converged after 5 iterations. iteration 851: trace = 2.394437132506152 (0.000877515% change) linmin: converged after 5 iterations. iteration 852: trace = 2.394410973238042 (0.00109251% change) linmin: converged after 5 iterations. iteration 853: trace = 2.394402272635757 (0.000363372% change) large trace change predicted (0.00121355%) linmin: converged after 4 iterations. iteration 854: trace = 2.394373229641932 (0.00121296% change) linmin: converged after 7 iterations. iteration 855: trace = 2.394354067564101 (0.000800299% change) linmin: converged after 8 iterations. iteration 856: trace = 2.39433372431924 (0.000849638% change) linmin: converged after 6 iterations. iteration 857: trace = 2.394297166381279 (0.00152686% change) linmin: converged after 5 iterations. iteration 858: trace = 2.394285767544338 (0.000476084% change) large trace change predicted (0.00159333%) linmin: converged after 4 iterations. iteration 859: trace = 2.394247622389388 (0.00159319% change) linmin: converged after 4 iterations. iteration 860: trace = 2.394233346506626 (0.000596259% change) linmin: converged after 6 iterations. iteration 861: trace = 2.394207819726012 (0.00106618% change) linmin: converged after 5 iterations. iteration 862: trace = 2.394195519026676 (0.00051377% change) linmin: converged after 5 iterations. iteration 863: trace = 2.394188993596345 (0.000272552% change) linmin: converged after 5 iterations. iteration 864: trace = 2.394182356903114 (0.0002772% change) linmin: converged after 5 iterations. iteration 865: trace = 2.394179333180336 (0.000126295% change) large trace change predicted (0.000328299%) linmin: converged after 5 iterations. iteration 866: trace = 2.394171473976929 (0.000328263% change) linmin: converged after 5 iterations. iteration 867: trace = 2.394161450734507 (0.000418653% change) linmin: converged after 4 iterations. iteration 868: trace = 2.394155805717717 (0.000235783% change) large trace change predicted (0.000528311%) linmin: converged after 5 iterations. iteration 869: trace = 2.39414315843689 (0.000528258% change) linmin: converged after 7 iterations. iteration 870: trace = 2.394130787986597 (0.000516698% change) linmin: converged after 6 iterations. iteration 871: trace = 2.394120900976059 (0.00041297% change) large trace change predicted (0.00112671%) linmin: converged after 4 iterations. iteration 872: trace = 2.39409393349801 (0.00112641% change) linmin: converged after 8 iterations. iteration 873: trace = 2.394087939782523 (0.000250355% change) large trace change predicted (0.000736548%) linmin: converged after 5 iterations. iteration 874: trace = 2.394070307241102 (0.000736506% change) linmin: converged after 5 iterations. iteration 875: trace = 2.394053220487694 (0.000713714% change) linmin: converged after 5 iterations. iteration 876: trace = 2.394047530589803 (0.000237668% change) linmin: converged after 7 iterations. iteration 877: trace = 2.394037289050395 (0.000427793% change) linmin: converged after 12 iterations. iteration 878: trace = 2.394028799022859 (0.000354633% change) linmin: converged after 17 iterations. iteration 879: trace = 2.394022136076078 (0.000278316% change) linmin: converged after 5 iterations. iteration 880: trace = 2.394012906652803 (0.00038552% change) linmin: converged after 14 iterations. iteration 881: trace = 2.394011176554337 (7.22677e-05% change) large trace change predicted (0.000190848%) linmin: converged after 5 iterations. iteration 882: trace = 2.394006607691629 (0.000190846% change) linmin: converged after 8 iterations. iteration 883: trace = 2.394004935452463 (6.98511e-05% change) linmin: converged after 6 iterations. iteration 884: trace = 2.394003356094164 (6.59714e-05% change) large trace change predicted (0.000162004%) linmin: converged after 3 iterations. iteration 885: trace = 2.39399947773438 (0.000162003% change) linmin: converged after 9 iterations. iteration 886: trace = 2.393997603098247 (7.83057e-05% change) large trace change predicted (0.000254067%) linmin: converged after 6 iterations. iteration 887: trace = 2.393991520849144 (0.000254063% change) linmin: converged after 6 iterations. iteration 888: trace = 2.393982081480052 (0.000394295% change) linmin: converged after 5 iterations. iteration 889: trace = 2.393976576528157 (0.00022995% change) large trace change predicted (0.000726596%) linmin: converged after 4 iterations. iteration 890: trace = 2.393959186647659 (0.000726404% change) linmin: converged after 5 iterations. iteration 891: trace = 2.393946679171171 (0.000522461% change) linmin: converged after 7 iterations. iteration 892: trace = 2.393929882918499 (0.000701616% change) linmin: converged after 5 iterations. iteration 893: trace = 2.393910467690303 (0.000811022% change) linmin: converged after 5 iterations. iteration 894: trace = 2.393901562763373 (0.000371983% change) linmin: converged after 8 iterations. iteration 895: trace = 2.393892916922695 (0.000361162% change) linmin: converged after 5 iterations. iteration 896: trace = 2.39389096458894 (8.15548e-05% change) large trace change predicted (0.000299648%) linmin: converged after 6 iterations. iteration 897: trace = 2.39388379195875 (0.000299623% change) linmin: converged after 3 iterations. iteration 898: trace = 2.393878750255292 (0.000210608% change) linmin: converged after 7 iterations. iteration 899: trace = 2.393875319777359 (0.000143302% change) linmin: converged after 6 iterations. iteration 900: trace = 2.39386880324487 (0.000272217% change) linmin: converged after 2 iterations. iteration 901: trace = 2.393865889782401 (0.000121705% change) large trace change predicted (0.000474624%) linmin: converged after 5 iterations. iteration 902: trace = 2.393854529225294 (0.000474571% change) linmin: converged after 6 iterations. iteration 903: trace = 2.393848780120372 (0.000240161% change) linmin: converged after 5 iterations. iteration 904: trace = 2.393843160881334 (0.000234737% change) linmin: converged after 5 iterations. iteration 905: trace = 2.393835197853341 (0.000332647% change) linmin: converged after 11 iterations. iteration 906: trace = 2.393830256097682 (0.000206437% change) linmin: converged after 5 iterations. iteration 907: trace = 2.393823740035774 (0.000272203% change) large trace change predicted (0.00131531%) linmin: converged after 3 iterations. iteration 908: trace = 2.393792263317471 (0.00131492% change) linmin: converged after 5 iterations. iteration 909: trace = 2.39377652602875 (0.000657423% change) resetting CG direction... linmin: converged after 7 iterations. iteration 910: trace = 2.39376330009675 (0.000552515% change) linmin: converged after 4 iterations. iteration 911: trace = 2.39374238845994 (0.000873592% change) linmin: converged after 4 iterations. iteration 912: trace = 2.393735033002682 (0.000307279% change) linmin: converged after 7 iterations. iteration 913: trace = 2.39372912334381 (0.000246881% change) linmin: converged after 4 iterations. iteration 914: trace = 2.393720884439127 (0.000344188% change) linmin: converged after 5 iterations. iteration 915: trace = 2.393716308546411 (0.000191163% change) linmin: converged after 10 iterations. iteration 916: trace = 2.39371181097369 (0.000187891% change) linmin: converged after 5 iterations. iteration 917: trace = 2.393704834491148 (0.000291451% change) linmin: converged after 6 iterations. iteration 918: trace = 2.393702382984916 (0.000102415% change) large trace change predicted (0.000250766%) linmin: converged after 4 iterations. iteration 919: trace = 2.393696380507142 (0.000250762% change) linmin: converged after 4 iterations. iteration 920: trace = 2.393693777334366 (0.000108751% change) linmin: converged after 3 iterations. iteration 921: trace = 2.39369060811919 (0.000132399% change) linmin: converged after 2 iterations. iteration 922: trace = 2.393685895928552 (0.000196859% change) linmin: converged after 5 iterations. iteration 923: trace = 2.393683127047675 (0.000115674% change) large trace change predicted (0.000244996%) linmin: converged after 5 iterations. iteration 924: trace = 2.393677261862061 (0.000245028% change) linmin: converged after 5 iterations. iteration 925: trace = 2.393669577398056 (0.000321032% change) linmin: converged after 8 iterations. iteration 926: trace = 2.393664634722948 (0.00020649% change) linmin: converged after 4 iterations. iteration 927: trace = 2.393656868232361 (0.000324461% change) linmin: converged after 5 iterations. iteration 928: trace = 2.393649260106471 (0.000317846% change) linmin: converged after 5 iterations. iteration 929: trace = 2.393637913421805 (0.000474034% change) linmin: converged after 6 iterations. iteration 930: trace = 2.393627845051446 (0.000420631% change) linmin: converged after 6 iterations. iteration 931: trace = 2.393623119731646 (0.000197413% change) linmin: converged after 11 iterations. iteration 932: trace = 2.393616613529423 (0.000271814% change) linmin: converged after 3 iterations. iteration 933: trace = 2.393614699545965 (7.9962e-05% change) linmin: converged after 2 iterations. iteration 934: trace = 2.393612284235905 (0.000100906% change) linmin: converged after 7 iterations. iteration 935: trace = 2.393609583419692 (0.000112834% change) linmin: converged after 10 iterations. iteration 936: trace = 2.393608895320764 (2.87473e-05% change) large trace change predicted (7.45291e-05%) linmin: converged after 5 iterations. iteration 937: trace = 2.393607111307217 (7.45324e-05% change) linmin: converged after 4 iterations. iteration 938: trace = 2.393606501000698 (2.54974e-05% change) large trace change predicted (0.00011861%) linmin: converged after 6 iterations. iteration 939: trace = 2.393603661892658 (0.000118612% change) linmin: converged after 6 iterations. iteration 940: trace = 2.393598716417863 (0.000206612% change) linmin: converged after 5 iterations. iteration 941: trace = 2.393596074406716 (0.000110378% change) large trace change predicted (0.000302045%) linmin: converged after 3 iterations. iteration 942: trace = 2.393588844334078 (0.000302059% change) linmin: converged after 4 iterations. iteration 943: trace = 2.393579358283505 (0.000396312% change) linmin: converged after 6 iterations. iteration 944: trace = 2.393575822360091 (0.000147725% change) large trace change predicted (0.000317736%) linmin: converged after 6 iterations. iteration 945: trace = 2.393568216785492 (0.00031775% change) linmin: converged after 6 iterations. iteration 946: trace = 2.393562163114726 (0.000252914% change) linmin: converged after 6 iterations. iteration 947: trace = 2.393555831024061 (0.000264547% change) linmin: converged after 4 iterations. iteration 948: trace = 2.393545423839673 (0.000434801% change) linmin: converged after 6 iterations. iteration 949: trace = 2.39354150132934 (0.000163879% change) large trace change predicted (0.000476617%) linmin: converged after 11 iterations. iteration 950: trace = 2.393530092315141 (0.000476659% change) linmin: converged after 2 iterations. iteration 951: trace = 2.393525465184724 (0.000193318% change) linmin: converged after 5 iterations. iteration 952: trace = 2.393521452365795 (0.000167653% change) linmin: converged after 8 iterations. iteration 953: trace = 2.393517957767596 (0.000146002% change) linmin: converged after 5 iterations. iteration 954: trace = 2.393516584892442 (5.73581e-05% change) large trace change predicted (0.000123131%) linmin: converged after 4 iterations. iteration 955: trace = 2.393513637809922 (0.000123128% change) linmin: converged after 10 iterations. iteration 956: trace = 2.393510506757236 (0.000130814% change) linmin: converged after 5 iterations. iteration 957: trace = 2.393507640157566 (0.000119766% change) large trace change predicted (0.000313861%) linmin: converged after 11 iterations. iteration 958: trace = 2.393500127861745 (0.000313862% change) linmin: converged after 5 iterations. iteration 959: trace = 2.393494788156733 (0.000223092% change) linmin: converged after 5 iterations. iteration 960: trace = 2.39348434947494 (0.000436128% change) linmin: converged after 6 iterations. iteration 961: trace = 2.393473336170258 (0.000460138% change) linmin: converged after 5 iterations. iteration 962: trace = 2.393466176867826 (0.000299118% change) linmin: converged after 4 iterations. iteration 963: trace = 2.393452298072569 (0.000579863% change) linmin: converged after 3 iterations. iteration 964: trace = 2.393448656865348 (0.000152132% change) large trace change predicted (0.000374091%) linmin: converged after 3 iterations. iteration 965: trace = 2.393439701805333 (0.00037415% change) linmin: converged after 6 iterations. iteration 966: trace = 2.393436458255365 (0.000135518% change) large trace change predicted (0.000316792%) linmin: converged after 4 iterations. iteration 967: trace = 2.393428876045128 (0.000316792% change) linmin: converged after 5 iterations. iteration 968: trace = 2.393426380859422 (0.000104252% change) large trace change predicted (0.000244802%) linmin: converged after 5 iterations. iteration 969: trace = 2.393420520538728 (0.000244851% change) linmin: converged after 5 iterations. iteration 970: trace = 2.393418851824411 (6.97209e-05% change) large trace change predicted (0.00019134%) linmin: converged after 3 iterations. iteration 971: trace = 2.393414271876066 (0.000191356% change) linmin: converged after 7 iterations. iteration 972: trace = 2.393413075477578 (4.99871e-05% change) large trace change predicted (0.00015086%) linmin: converged after 4 iterations. iteration 973: trace = 2.393409464217927 (0.000150883% change) linmin: converged after 6 iterations. iteration 974: trace = 2.393408134152997 (5.5572e-05% change) large trace change predicted (0.000120053%) linmin: converged after 5 iterations. iteration 975: trace = 2.393405260855118 (0.000120051% change) linmin: converged after 9 iterations. iteration 976: trace = 2.393404383141242 (3.66722e-05% change) linmin: converged after 5 iterations. iteration 977: trace = 2.393402666045481 (7.17428e-05% change) linmin: converged after 5 iterations. iteration 978: trace = 2.393401975714696 (2.88431e-05% change) large trace change predicted (0.000103563%) linmin: converged after 4 iterations. iteration 979: trace = 2.393399497148036 (0.000103558% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.393398857745352 (2.67153e-05% change) linmin: converged after 3 iterations. iteration 981: trace = 2.39339801257345 (3.53126e-05% change) linmin: converged after 4 iterations. iteration 982: trace = 2.393396777174976 (5.16169e-05% change) linmin: converged after 13 iterations. iteration 983: trace = 2.393396046469055 (3.05301e-05% change) large trace change predicted (0.000135784%) linmin: converged after 7 iterations. iteration 984: trace = 2.393392796856243 (0.000135774% change) linmin: converged after 4 iterations. iteration 985: trace = 2.3933909388881 (7.76291e-05% change) linmin: converged after 8 iterations. iteration 986: trace = 2.393388231354699 (0.000113125% change) linmin: converged after 6 iterations. iteration 987: trace = 2.393385084528441 (0.00013148% change) linmin: converged after 7 iterations. iteration 988: trace = 2.393383375292374 (7.1415e-05% change) large trace change predicted (0.000162227%) linmin: converged after 6 iterations. iteration 989: trace = 2.39337949267091 (0.000162223% change) linmin: converged after 6 iterations. iteration 990: trace = 2.393377370493137 (8.86687e-05% change) large trace change predicted (0.0002045%) linmin: converged after 4 iterations. iteration 991: trace = 2.393372476433091 (0.000204484% change) linmin: converged after 5 iterations. iteration 992: trace = 2.393366010571389 (0.000270157% change) linmin: converged after 7 iterations. iteration 993: trace = 2.393360582141217 (0.000226812% change) linmin: converged after 5 iterations. iteration 994: trace = 2.393353007150244 (0.000316501% change) linmin: converged after 4 iterations. iteration 995: trace = 2.393350017475156 (0.000124916% change) large trace change predicted (0.00026056%) linmin: converged after 5 iterations. iteration 996: trace = 2.39334378203401 (0.000260532% change) linmin: converged after 6 iterations. iteration 997: trace = 2.393335774007732 (0.000334596% change) linmin: converged after 6 iterations. iteration 998: trace = 2.393331601744257 (0.000174329% change) large trace change predicted (0.000372919%) linmin: converged after 13 iterations. iteration 999: trace = 2.393322677307343 (0.000372888% change) linmin: converged after 13 iterations. iteration 1000: trace = 2.393321272804266 (5.86843e-05% change) linmin: converged after 8 iterations. iteration 1001: trace = 2.393318598405276 (0.000111744% change) linmin: converged after 5 iterations. iteration 1002: trace = 2.393316904843696 (7.07621e-05% change) linmin: converged after 5 iterations. iteration 1003: trace = 2.393316064873754 (3.50965e-05% change) large trace change predicted (9.3938e-05%) linmin: converged after 4 iterations. iteration 1004: trace = 2.393313816626083 (9.39386e-05% change) linmin: converged after 11 iterations. iteration 1005: trace = 2.393312997241325 (3.42364e-05% change) large trace change predicted (0.000149882%) linmin: converged after 6 iterations. iteration 1006: trace = 2.39330941048938 (0.000149866% change) linmin: converged after 5 iterations. iteration 1007: trace = 2.393306895060383 (0.000105103% change) linmin: converged after 5 iterations. iteration 1008: trace = 2.393304600723536 (9.58648e-05% change) large trace change predicted (0.000192641%) linmin: converged after 5 iterations. iteration 1009: trace = 2.393299991031353 (0.000192608% change) linmin: converged after 5 iterations. iteration 1010: trace = 2.393296409280905 (0.000149658% change) linmin: converged after 9 iterations. iteration 1011: trace = 2.393290678965539 (0.000239432% change) linmin: converged after 5 iterations. iteration 1012: trace = 2.393286681689123 (0.00016702% change) linmin: converged after 6 iterations. iteration 1013: trace = 2.393284644429595 (8.5124e-05% change) large trace change predicted (0.000189203%) linmin: converged after 6 iterations. iteration 1014: trace = 2.39328011637136 (0.000189199% change) linmin: converged after 6 iterations. iteration 1015: trace = 2.393278287913598 (7.63997e-05% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.393276001261386 (9.55448e-05% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.393272876472464 (0.000130565% change) linmin: converged after 4 iterations. iteration 1018: trace = 2.393272160052428 (2.99347e-05% change) large trace change predicted (9.79606e-05%) linmin: converged after 3 iterations. iteration 1019: trace = 2.393269815718094 (9.79552e-05% change) linmin: converged after 7 iterations. iteration 1020: trace = 2.393269067031305 (3.1283e-05% change) linmin: converged after 7 iterations. iteration 1021: trace = 2.393268543077747 (2.18928e-05% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.393267828019735 (2.98779e-05% change) linmin: converged after 5 iterations. iteration 1023: trace = 2.393267385051577 (1.85089e-05% change) linmin: converged after 4 iterations. iteration 1024: trace = 2.393266529555258 (3.5746e-05% change) linmin: converged after 3 iterations. iteration 1025: trace = 2.39326525341969 (5.33219e-05% change) linmin: converged after 15 iterations. iteration 1026: trace = 2.39326441430694 (3.50614e-05% change) large trace change predicted (0.000101647%) linmin: converged after 5 iterations. iteration 1027: trace = 2.393261981570269 (0.000101649% change) linmin: converged after 5 iterations. iteration 1028: trace = 2.393260515336318 (6.12651e-05% change) linmin: converged after 7 iterations. iteration 1029: trace = 2.393257998417836 (0.000105167% change) large trace change predicted (0.000247538%) linmin: converged after 8 iterations. iteration 1030: trace = 2.393252074643331 (0.00024752% change) linmin: converged after 8 iterations. iteration 1031: trace = 2.393250024021437 (8.56835e-05% change) large trace change predicted (0.000206121%) linmin: converged after 4 iterations. iteration 1032: trace = 2.393245091918589 (0.000206084% change) linmin: converged after 6 iterations. iteration 1033: trace = 2.393243958621495 (4.7354e-05% change) linmin: converged after 3 iterations. iteration 1034: trace = 2.393241934798795 (8.4564e-05% change) linmin: converged after 9 iterations. iteration 1035: trace = 2.393240537244809 (5.83959e-05% change) linmin: converged after 9 iterations. iteration 1036: trace = 2.39324002778815 (2.12873e-05% change) large trace change predicted (5.57942e-05%) linmin: converged after 9 iterations. iteration 1037: trace = 2.393238692509214 (5.57938e-05% change) linmin: converged after 6 iterations. iteration 1038: trace = 2.39323802059479 (2.80755e-05% change) large trace change predicted (6.07335e-05%) linmin: converged after 8 iterations. iteration 1039: trace = 2.393236567069471 (6.07347e-05% change) linmin: converged after 5 iterations. iteration 1040: trace = 2.393235119480474 (6.04867e-05% change) linmin: converged after 4 iterations. iteration 1041: trace = 2.393233817398129 (5.44068e-05% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.393232071761479 (7.29405e-05% change) linmin: converged after 5 iterations. iteration 1043: trace = 2.39323128945811 (3.26882e-05% change) large trace change predicted (8.55472e-05%) linmin: converged after 4 iterations. iteration 1044: trace = 2.393229242214166 (8.55431e-05% change) linmin: converged after 6 iterations. iteration 1045: trace = 2.393227651783551 (6.64554e-05% change) linmin: converged after 7 iterations. iteration 1046: trace = 2.393225663833507 (8.30657e-05% change) linmin: converged after 6 iterations. iteration 1047: trace = 2.393222802787842 (0.000119548% change) linmin: converged after 8 iterations. iteration 1048: trace = 2.393220864444548 (8.0993e-05% change) large trace change predicted (0.000271507%) linmin: converged after 4 iterations. iteration 1049: trace = 2.393214366687728 (0.000271507% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1050: trace = 2.393210290441174 (0.000170325% change) linmin: converged after 5 iterations. iteration 1051: trace = 2.393207576173126 (0.000113415% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.393204382090806 (0.000133465% change) linmin: converged after 6 iterations. iteration 1053: trace = 2.393203141646405 (5.1832e-05% change) linmin: converged after 4 iterations. iteration 1054: trace = 2.393201585559278 (6.50211e-05% change) linmin: converged after 5 iterations. iteration 1055: trace = 2.393199555406358 (8.483e-05% change) linmin: converged after 7 iterations. iteration 1056: trace = 2.393199048834635 (2.11671e-05% change) large trace change predicted (6.37928e-05%) linmin: converged after 4 iterations. iteration 1057: trace = 2.393197522092076 (6.37951e-05% change) linmin: converged after 6 iterations. iteration 1058: trace = 2.393196541303609 (4.09824e-05% change) linmin: converged after 12 iterations. iteration 1059: trace = 2.393195711374781 (3.46787e-05% change) linmin: converged after 7 iterations. iteration 1060: trace = 2.39319453789427 (4.90341e-05% change) linmin: converged after 5 iterations. iteration 1061: trace = 2.393194082956864 (1.90096e-05% change) large trace change predicted (4.26953e-05%) linmin: converged after 5 iterations. iteration 1062: trace = 2.393193061154764 (4.26962e-05% change) linmin: converged after 13 iterations. iteration 1063: trace = 2.393192067371938 (4.15254e-05% change) linmin: converged after 5 iterations. iteration 1064: trace = 2.393191428683271 (2.66877e-05% change) large trace change predicted (7.5277e-05%) linmin: converged after 5 iterations. iteration 1065: trace = 2.393189627003934 (7.52836e-05% change) linmin: converged after 5 iterations. iteration 1066: trace = 2.393188640493396 (4.12216e-05% change) linmin: converged after 8 iterations. iteration 1067: trace = 2.393186825198472 (7.58526e-05% change) large trace change predicted (0.000155663%) linmin: converged after 7 iterations. iteration 1068: trace = 2.393183100095089 (0.000155655% change) linmin: converged after 5 iterations. iteration 1069: trace = 2.393181932013928 (4.88087e-05% change) large trace change predicted (0.000120468%) linmin: converged after 12 iterations. iteration 1070: trace = 2.393179049354931 (0.000120453% change) linmin: converged after 4 iterations. iteration 1071: trace = 2.39317841544213 (2.64883e-05% change) large trace change predicted (6.14963e-05%) linmin: converged after 3 iterations. iteration 1072: trace = 2.393176943830439 (6.1492e-05% change) linmin: converged after 5 iterations. iteration 1073: trace = 2.393176128200228 (3.40815e-05% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.393175836730765 (1.21792e-05% change) large trace change predicted (3.12721e-05%) linmin: converged after 8 iterations. iteration 1075: trace = 2.393175088311975 (3.1273e-05% change) linmin: converged after 6 iterations. iteration 1076: trace = 2.393174836913051 (1.05048e-05% change) linmin: converged after 5 iterations. iteration 1077: trace = 2.393174499953542 (1.408e-05% change) linmin: converged after 8 iterations. iteration 1078: trace = 2.393173917660776 (2.43314e-05% change) linmin: converged after 12 iterations. iteration 1079: trace = 2.393173583806723 (1.39503e-05% change) large trace change predicted (3.56268e-05%) linmin: converged after 6 iterations. iteration 1080: trace = 2.393172731134282 (3.56294e-05% change) large trace change predicted (7.21561e-05%) linmin: converged after 4 iterations. iteration 1081: trace = 2.393171004310397 (7.21563e-05% change) linmin: converged after 5 iterations. iteration 1082: trace = 2.393170288825717 (2.98969e-05% change) large trace change predicted (9.661e-05%) linmin: converged after 4 iterations. iteration 1083: trace = 2.393167976850339 (9.66073e-05% change) linmin: converged after 12 iterations. iteration 1084: trace = 2.393166861195967 (4.66183e-05% change) linmin: converged after 4 iterations. iteration 1085: trace = 2.393164724567955 (8.92804e-05% change) linmin: converged after 4 iterations. iteration 1086: trace = 2.393162654720227 (8.649e-05% change) linmin: converged after 5 iterations. iteration 1087: trace = 2.393161542554514 (4.64726e-05% change) large trace change predicted (9.32381e-05%) linmin: converged after 6 iterations. iteration 1088: trace = 2.393159311105262 (9.32428e-05% change) linmin: converged after 5 iterations. iteration 1089: trace = 2.39315628345993 (0.000126513% change) linmin: converged after 4 iterations. iteration 1090: trace = 2.393155423667713 (3.59271e-05% change) large trace change predicted (8.793e-05%) linmin: converged after 5 iterations. iteration 1091: trace = 2.393153319160044 (8.79387e-05% change) linmin: converged after 5 iterations. iteration 1092: trace = 2.393152590988818 (3.04273e-05% change) linmin: converged after 5 iterations. iteration 1093: trace = 2.393151958891362 (2.64128e-05% change) linmin: converged after 5 iterations. iteration 1094: trace = 2.393151108429939 (3.55373e-05% change) linmin: converged after 5 iterations. iteration 1095: trace = 2.393150857445542 (1.04876e-05% change) large trace change predicted (4.02579e-05%) linmin: converged after 7 iterations. iteration 1096: trace = 2.393149894031267 (4.02572e-05% change) linmin: converged after 6 iterations. iteration 1097: trace = 2.393149149982629 (3.10908e-05% change) linmin: converged after 15 iterations. iteration 1098: trace = 2.393148195430912 (3.98869e-05% change) large trace change predicted (0.000119726%) linmin: converged after 6 iterations. iteration 1099: trace = 2.393145330313613 (0.000119722% change) linmin: converged after 6 iterations. iteration 1100: trace = 2.393144180958879 (4.8027e-05% change) large trace change predicted (0.000107822%) linmin: converged after 6 iterations. iteration 1101: trace = 2.393141600546532 (0.000107825% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.393138867497359 (0.000114203% change) linmin: converged after 5 iterations. iteration 1103: trace = 2.393137437991372 (5.97335e-05% change) linmin: converged after 6 iterations. iteration 1104: trace = 2.393134889901042 (0.000106475% change) linmin: converged after 8 iterations. iteration 1105: trace = 2.393134056875987 (3.4809e-05% change) large trace change predicted (0.000114227%) linmin: converged after 6 iterations. iteration 1106: trace = 2.393131323002051 (0.000114238% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.393130471419162 (3.55845e-05% change) linmin: converged after 4 iterations. iteration 1108: trace = 2.393129703889396 (3.20722e-05% change) linmin: converged after 13 iterations. iteration 1109: trace = 2.393128458007009 (5.20608e-05% change) linmin: converged after 6 iterations. iteration 1110: trace = 2.393128111015753 (1.44995e-05% change) large trace change predicted (4.7851e-05%) linmin: converged after 7 iterations. iteration 1111: trace = 2.39312696584973 (4.78523e-05% change) linmin: converged after 8 iterations. iteration 1112: trace = 2.3931266391468 (1.36517e-05% change) large trace change predicted (3.78281e-05%) linmin: converged after 5 iterations. iteration 1113: trace = 2.393125733843513 (3.78293e-05% change) linmin: converged after 5 iterations. iteration 1114: trace = 2.393125357326621 (1.57333e-05% change) linmin: converged after 4 iterations. iteration 1115: trace = 2.39312510143522 (1.06928e-05% change) linmin: converged after 7 iterations. iteration 1116: trace = 2.393124646352413 (1.90163e-05% change) linmin: converged after 8 iterations. iteration 1117: trace = 2.393124566839406 (3.32256e-06% change) large trace change predicted (2.60653e-05%) linmin: converged after 4 iterations. iteration 1118: trace = 2.393123943067639 (2.60652e-05% change) linmin: converged after 5 iterations. iteration 1119: trace = 2.393123292302728 (2.71931e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.393122795144083 (2.07745e-05% change) linmin: converged after 3 iterations. iteration 1121: trace = 2.393122221499031 (2.39706e-05% change) linmin: converged after 9 iterations. iteration 1122: trace = 2.393122026857971 (8.13335e-06% change) linmin: converged after 9 iterations. iteration 1123: trace = 2.393121762135788 (1.10618e-05% change) linmin: converged after 5 iterations. iteration 1124: trace = 2.393121315690836 (1.86553e-05% change) linmin: converged after 12 iterations. iteration 1125: trace = 2.393121043248063 (1.13844e-05% change) large trace change predicted (2.35221e-05%) linmin: converged after 4 iterations. iteration 1126: trace = 2.393120480355973 (2.35213e-05% change) linmin: converged after 10 iterations. iteration 1127: trace = 2.393119750018178 (3.05182e-05% change) linmin: converged after 5 iterations. iteration 1128: trace = 2.393119411592762 (1.41416e-05% change) large trace change predicted (4.9348e-05%) linmin: converged after 8 iterations. iteration 1129: trace = 2.393118230639719 (4.93479e-05% change) linmin: converged after 4 iterations. iteration 1130: trace = 2.393117875081792 (1.48575e-05% change) large trace change predicted (4.74419e-05%) linmin: converged after 3 iterations. iteration 1131: trace = 2.393116739756548 (4.74413e-05% change) linmin: converged after 5 iterations. iteration 1132: trace = 2.393115488628403 (5.22803e-05% change) linmin: converged after 12 iterations. iteration 1133: trace = 2.393114965220025 (2.18714e-05% change) large trace change predicted (8.47535e-05%) linmin: converged after 7 iterations. iteration 1134: trace = 2.393112937186994 (8.47445e-05% change) linmin: converged after 4 iterations. iteration 1135: trace = 2.39311180181349 (4.74434e-05% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.393110339065101 (6.11233e-05% change) linmin: converged after 9 iterations. iteration 1137: trace = 2.393108472239607 (7.80084e-05% change) linmin: converged after 5 iterations. iteration 1138: trace = 2.393107594039128 (3.66971e-05% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.393106173298511 (5.9368e-05% change) linmin: converged after 3 iterations. iteration 1140: trace = 2.393105006931219 (4.87386e-05% change) linmin: converged after 8 iterations. iteration 1141: trace = 2.393104440007796 (2.36899e-05% change) linmin: converged after 4 iterations. iteration 1142: trace = 2.393103689050256 (3.13801e-05% change) linmin: converged after 5 iterations. iteration 1143: trace = 2.393103499564331 (7.918e-06% change) large trace change predicted (1.88069e-05%) linmin: converged after 4 iterations. iteration 1144: trace = 2.393103049500558 (1.88067e-05% change) linmin: converged after 5 iterations. iteration 1145: trace = 2.393102732345627 (1.32529e-05% change) linmin: converged after 5 iterations. iteration 1146: trace = 2.393102478486765 (1.06079e-05% change) large trace change predicted (2.48009e-05%) linmin: converged after 4 iterations. iteration 1147: trace = 2.393101884993238 (2.48002e-05% change) linmin: converged after 4 iterations. iteration 1148: trace = 2.393101518122005 (1.53304e-05% change) large trace change predicted (5.74864e-05%) linmin: converged after 18 iterations. iteration 1149: trace = 2.393100142463501 (5.74844e-05% change) linmin: converged after 5 iterations. iteration 1150: trace = 2.393098797410638 (5.62055e-05% change) linmin: converged after 7 iterations. iteration 1151: trace = 2.393098152780351 (2.69371e-05% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.393097005977972 (4.79213e-05% change) linmin: converged after 3 iterations. iteration 1153: trace = 2.393095935653633 (4.47255e-05% change) linmin: converged after 5 iterations. iteration 1154: trace = 2.393095541297538 (1.64789e-05% change) large trace change predicted (5.49254e-05%) linmin: converged after 18 iterations. iteration 1155: trace = 2.393094226921638 (5.49237e-05% change) linmin: converged after 3 iterations. iteration 1156: trace = 2.39309396426576 (1.09756e-05% change) large trace change predicted (3.10945e-05%) linmin: converged after 10 iterations. iteration 1157: trace = 2.393093220141118 (3.10947e-05% change) linmin: converged after 10 iterations. iteration 1158: trace = 2.39309264554897 (2.40104e-05% change) linmin: converged after 20 iterations. iteration 1159: trace = 2.393092448080255 (8.25161e-06% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.393092059924631 (1.62198e-05% change) linmin: converged after 4 iterations. iteration 1161: trace = 2.393091858329862 (8.42403e-06% change) linmin: converged after 5 iterations. iteration 1162: trace = 2.393091720097054 (5.77633e-06% change) linmin: converged after 3 iterations. iteration 1163: trace = 2.393091541114908 (7.47912e-06% change) linmin: converged after 4 iterations. iteration 1164: trace = 2.393091447694025 (3.90377e-06% change) large trace change predicted (8.30835e-06%) linmin: converged after 15 iterations. iteration 1165: trace = 2.393091248865591 (8.30843e-06% change) linmin: converged after 10 iterations. iteration 1166: trace = 2.393090859375185 (1.62756e-05% change) linmin: converged after 7 iterations. iteration 1167: trace = 2.393090694880812 (6.87372e-06% change) large trace change predicted (3.23481e-05%) linmin: converged after 15 iterations. iteration 1168: trace = 2.393089920781617 (3.23473e-05% change) linmin: converged after 17 iterations. iteration 1169: trace = 2.393088972181016 (3.96392e-05% change) linmin: converged after 4 iterations. iteration 1170: trace = 2.393088551654936 (1.75725e-05% change) large trace change predicted (3.88729e-05%) linmin: converged after 4 iterations. iteration 1171: trace = 2.393087621447286 (3.88706e-05% change) linmin: converged after 4 iterations. iteration 1172: trace = 2.393087098770607 (2.18411e-05% change) linmin: converged after 4 iterations. iteration 1173: trace = 2.393086513505814 (2.44565e-05% change) linmin: converged after 6 iterations. iteration 1174: trace = 2.393085756884826 (3.1617e-05% change) linmin: converged after 19 iterations. iteration 1175: trace = 2.393085656497844 (4.19488e-06% change) large trace change predicted (1.52876e-05%) linmin: converged after 5 iterations. iteration 1176: trace = 2.39308529065863 (1.52873e-05% change) linmin: converged after 8 iterations. iteration 1177: trace = 2.393085151679289 (5.80754e-06% change) linmin: converged after 5 iterations. iteration 1178: trace = 2.393084939720825 (8.85712e-06% change) linmin: converged after 5 iterations. iteration 1179: trace = 2.393084551457581 (1.62244e-05% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.39308438782028 (6.83792e-06% change) large trace change predicted (1.95492e-05%) linmin: converged after 6 iterations. iteration 1181: trace = 2.393083920006672 (1.95486e-05% change) linmin: converged after 16 iterations. iteration 1182: trace = 2.3930835389766 (1.59221e-05% change) linmin: converged after 6 iterations. iteration 1183: trace = 2.393083287334296 (1.05154e-05% change) linmin: converged after 5 iterations. iteration 1184: trace = 2.393082885619513 (1.67865e-05% change) linmin: converged after 7 iterations. iteration 1185: trace = 2.393082543878946 (1.42803e-05% change) linmin: converged after 4 iterations. iteration 1186: trace = 2.39308201855262 (2.19519e-05% change) linmin: converged after 5 iterations. iteration 1187: trace = 2.393081060456546 (4.00361e-05% change) linmin: converged after 8 iterations. iteration 1188: trace = 2.393080464286011 (2.49123e-05% change) large trace change predicted (0.000132277%) linmin: converged after 4 iterations. iteration 1189: trace = 2.393077298895951 (0.000132273% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1190: trace = 2.393076240239254 (4.42383e-05% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.393074750140043 (6.22671e-05% change) linmin: converged after 8 iterations. iteration 1192: trace = 2.393073809711386 (3.92979e-05% change) linmin: converged after 18 iterations. iteration 1193: trace = 2.39307351609799 (1.22693e-05% change) linmin: converged after 4 iterations. iteration 1194: trace = 2.393072929586735 (2.45087e-05% change) linmin: converged after 5 iterations. iteration 1195: trace = 2.393072566130759 (1.51878e-05% change) linmin: converged after 6 iterations. iteration 1196: trace = 2.393072357762494 (8.70714e-06% change) linmin: converged after 5 iterations. iteration 1197: trace = 2.393072037362187 (1.33887e-05% change) linmin: converged after 6 iterations. iteration 1198: trace = 2.393071930524768 (4.46445e-06% change) large trace change predicted (9.56957e-06%) linmin: converged after 4 iterations. iteration 1199: trace = 2.393071701518167 (9.56957e-06% change) linmin: converged after 5 iterations. iteration 1200: trace = 2.39307140753333 (1.22848e-05% change) linmin: converged after 16 iterations. iteration 1201: trace = 2.393071323863251 (3.49635e-06% change) large trace change predicted (1.10284e-05%) linmin: converged after 5 iterations. iteration 1202: trace = 2.393071059940076 (1.10286e-05% change) linmin: converged after 6 iterations. iteration 1203: trace = 2.393070926133761 (5.59141e-06% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.393070793781081 (5.53066e-06% change) large trace change predicted (1.58304e-05%) linmin: converged after 4 iterations. iteration 1205: trace = 2.393070414942804 (1.58306e-05% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.393070263111629 (6.34462e-06% change) linmin: converged after 19 iterations. iteration 1207: trace = 2.393069975221526 (1.20302e-05% change) large trace change predicted (2.95267e-05%) linmin: converged after 7 iterations. iteration 1208: trace = 2.393069268622976 (2.95269e-05% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.393069118002479 (6.29403e-06% change) large trace change predicted (2.71235e-05%) linmin: converged after 17 iterations. iteration 1210: trace = 2.393068468921886 (2.71234e-05% change) linmin: converged after 5 iterations. iteration 1211: trace = 2.393068209934187 (1.08224e-05% change) linmin: converged after 6 iterations. iteration 1212: trace = 2.393067826420286 (1.6026e-05% change) linmin: converged after 5 iterations. iteration 1213: trace = 2.39306755074399 (1.15198e-05% change) linmin: converged after 5 iterations. iteration 1214: trace = 2.393067481258047 (2.90363e-06% change) large trace change predicted (6.62382e-06%) linmin: converged after 7 iterations. iteration 1215: trace = 2.393067322743694 (6.6239e-06% change) linmin: converged after 9 iterations. iteration 1216: trace = 2.393067247866624 (3.12892e-06% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.393067201984167 (1.91731e-06% change) large trace change predicted (5.75137e-06%) linmin: converged after 5 iterations. iteration 1218: trace = 2.393067064347898 (5.75146e-06% change) linmin: converged after 4 iterations. iteration 1219: trace = 2.393067013798175 (2.11234e-06% change) large trace change predicted (6.27588e-06%) linmin: converged after 4 iterations. iteration 1220: trace = 2.393066863611985 (6.27589e-06% change) linmin: converged after 5 iterations. iteration 1221: trace = 2.393066564182733 (1.25124e-05% change) linmin: converged after 5 iterations. iteration 1222: trace = 2.39306644592344 (4.94175e-06% change) large trace change predicted (1.84633e-05%) linmin: converged after 6 iterations. iteration 1223: trace = 2.393066004079361 (1.84635e-05% change) linmin: converged after 5 iterations. iteration 1224: trace = 2.393065760666671 (1.01716e-05% change) large trace change predicted (2.08722e-05%) linmin: converged after 6 iterations. iteration 1225: trace = 2.393065261168879 (2.08727e-05% change) linmin: converged after 4 iterations. iteration 1226: trace = 2.393064858116487 (1.68425e-05% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.393064647187562 (8.81418e-06% change) large trace change predicted (2.02102e-05%) linmin: converged after 12 iterations. iteration 1228: trace = 2.39306416354039 (2.02104e-05% change) linmin: converged after 5 iterations. iteration 1229: trace = 2.393063626688344 (2.24337e-05% change) linmin: converged after 5 iterations. iteration 1230: trace = 2.393063278698965 (1.45416e-05% change) linmin: converged after 5 iterations. iteration 1231: trace = 2.393062704453462 (2.39963e-05% change) linmin: converged after 4 iterations. iteration 1232: trace = 2.39306257817967 (5.27666e-06% change) linmin: converged after 5 iterations. iteration 1233: trace = 2.393062375079716 (8.48703e-06% change) linmin: converged after 5 iterations. iteration 1234: trace = 2.393062226591907 (6.20493e-06% change) linmin: converged after 13 iterations. iteration 1235: trace = 2.393062150715249 (3.17069e-06% change) large trace change predicted (7.1653e-06%) linmin: converged after 4 iterations. iteration 1236: trace = 2.393061979244249 (7.16534e-06% change) linmin: converged after 10 iterations. iteration 1237: trace = 2.393061908567113 (2.95342e-06% change) large trace change predicted (1.09655e-05%) linmin: converged after 13 iterations. iteration 1238: trace = 2.393061646153985 (1.09656e-05% change) linmin: converged after 5 iterations. iteration 1239: trace = 2.393061357126682 (1.20777e-05% change) linmin: converged after 5 iterations. iteration 1240: trace = 2.39306106810203 (1.20776e-05% change) linmin: converged after 5 iterations. iteration 1241: trace = 2.393060602970678 (1.94367e-05% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.3930602614582 (1.4271e-05% change) linmin: converged after 6 iterations. iteration 1243: trace = 2.393059776248598 (2.02757e-05% change) linmin: converged after 5 iterations. iteration 1244: trace = 2.393059160145531 (2.57454e-05% change) linmin: converged after 7 iterations. iteration 1245: trace = 2.393058912697326 (1.03402e-05% change) large trace change predicted (2.06885e-05%) linmin: converged after 9 iterations. iteration 1246: trace = 2.39305841758815 (2.06894e-05% change) linmin: converged after 5 iterations. iteration 1247: trace = 2.393058288110684 (5.41054e-06% change) large trace change predicted (1.13421e-05%) linmin: converged after 2 iterations. iteration 1248: trace = 2.393058016687091 (1.13421e-05% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.393057784387755 (9.70722e-06% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.393057694039186 (3.77544e-06% change) large trace change predicted (1.12147e-05%) linmin: converged after 4 iterations. iteration 1251: trace = 2.393057425664721 (1.12147e-05% change) linmin: converged after 6 iterations. iteration 1252: trace = 2.393057344262602 (3.40159e-06% change) large trace change predicted (7.092e-06%) linmin: converged after 4 iterations. iteration 1253: trace = 2.393057174544058 (7.09212e-06% change) linmin: converged after 20 iterations. iteration 1254: trace = 2.39305706377123 (4.62893e-06% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.393057004024575 (2.49667e-06% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.39305691958685 (3.52845e-06% change) linmin: converged after 7 iterations. iteration 1257: trace = 2.393056878822534 (1.70344e-06% change) linmin: converged after 5 iterations. iteration 1258: trace = 2.39305681617839 (2.61775e-06% change) large trace change predicted (5.79016e-06%) linmin: converged after 15 iterations. iteration 1259: trace = 2.393056677618627 (5.79007e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.393056615081571 (2.61327e-06% change) linmin: converged after 4 iterations. iteration 1261: trace = 2.393056537874384 (3.2263e-06% change) linmin: converged after 5 iterations. iteration 1262: trace = 2.393056476760083 (2.55382e-06% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.393056445828446 (1.29256e-06% change) large trace change predicted (3.23548e-06%) linmin: converged after 4 iterations. iteration 1264: trace = 2.393056368401015 (3.2355e-06% change) linmin: converged after 7 iterations. iteration 1265: trace = 2.393056228587454 (5.84247e-06% change) linmin: converged after 4 iterations. iteration 1266: trace = 2.393056180500727 (2.00943e-06% change) large trace change predicted (7.96015e-06%) linmin: converged after 5 iterations. iteration 1267: trace = 2.393055990013713 (7.95999e-06% change) linmin: converged after 4 iterations. iteration 1268: trace = 2.393055894830834 (3.97746e-06% change) linmin: converged after 14 iterations. iteration 1269: trace = 2.393055738068435 (6.55072e-06% change) linmin: converged after 12 iterations. iteration 1270: trace = 2.393055559474342 (7.46301e-06% change) linmin: converged after 5 iterations. iteration 1271: trace = 2.393055446448873 (4.72306e-06% change) large trace change predicted (1.0583e-05%) linmin: converged after 4 iterations. iteration 1272: trace = 2.393055193199412 (1.05827e-05% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.393054815707878 (1.57745e-05% change) linmin: converged after 11 iterations. iteration 1274: trace = 2.393054697166692 (4.95355e-06% change) large trace change predicted (1.88963e-05%) linmin: converged after 6 iterations. iteration 1275: trace = 2.393054244993206 (1.88952e-05% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.393053985666967 (1.08366e-05% change) linmin: converged after 4 iterations. iteration 1277: trace = 2.393053817100578 (7.04399e-06% change) large trace change predicted (1.72193e-05%) linmin: converged after 5 iterations. iteration 1278: trace = 2.393053405038393 (1.72191e-05% change) linmin: converged after 7 iterations. iteration 1279: trace = 2.39305330651077 (4.11723e-06% change) large trace change predicted (1.10084e-05%) linmin: converged after 7 iterations. iteration 1280: trace = 2.39305304307857 (1.10082e-05% change) linmin: converged after 12 iterations. iteration 1281: trace = 2.393052973546367 (2.90559e-06% change) large trace change predicted (5.81259e-06%) linmin: converged after 7 iterations. iteration 1282: trace = 2.393052834449853 (5.81251e-06% change) linmin: converged after 4 iterations. iteration 1283: trace = 2.393052788630628 (1.91468e-06% change) linmin: converged after 12 iterations. iteration 1284: trace = 2.393052698068568 (3.78437e-06% change) linmin: converged after 7 iterations. iteration 1285: trace = 2.393052666944639 (1.3006e-06% change) large trace change predicted (3.6287e-06%) linmin: converged after 4 iterations. iteration 1286: trace = 2.393052580108233 (3.62869e-06% change) linmin: converged after 5 iterations. iteration 1287: trace = 2.393052534726269 (1.8964e-06% change) large trace change predicted (5.44108e-06%) linmin: converged after 13 iterations. iteration 1288: trace = 2.393052404519425 (5.44104e-06% change) linmin: converged after 5 iterations. iteration 1289: trace = 2.393052313475159 (3.80452e-06% change) large trace change predicted (1.11147e-05%) linmin: converged after 3 iterations. iteration 1290: trace = 2.393052047496551 (1.11146e-05% change) linmin: converged after 3 iterations. iteration 1291: trace = 2.393051891885403 (6.50262e-06% change) linmin: converged after 4 iterations. iteration 1292: trace = 2.393051718982003 (7.22523e-06% change) linmin: converged after 7 iterations. iteration 1293: trace = 2.39305143063593 (1.20493e-05% change) linmin: converged after 4 iterations. iteration 1294: trace = 2.393051301111332 (5.41253e-06% change) linmin: converged after 10 iterations. iteration 1295: trace = 2.393051073815899 (9.49814e-06% change) linmin: converged after 8 iterations. iteration 1296: trace = 2.393050980766919 (3.8883e-06% change) large trace change predicted (8.42128e-06%) linmin: converged after 5 iterations. iteration 1297: trace = 2.393050779248155 (8.421e-06% change) linmin: converged after 20 iterations. iteration 1298: trace = 2.393050700075646 (3.30843e-06% change) linmin: converged after 4 iterations. iteration 1299: trace = 2.393050577158003 (5.13644e-06% change) linmin: converged after 5 iterations. iteration 1300: trace = 2.393050512685025 (2.69418e-06% change) large trace change predicted (5.60134e-06%) linmin: converged after 10 iterations. iteration 1301: trace = 2.393050378643705 (5.60127e-06% change) linmin: converged after 16 iterations. iteration 1302: trace = 2.393050309818964 (2.87603e-06% change) linmin: converged after 22 iterations. iteration 1303: trace = 2.393050263643945 (1.92955e-06% change) linmin: converged after 4 iterations. iteration 1304: trace = 2.393050220657166 (1.79632e-06% change) linmin: converged after 10 iterations. iteration 1305: trace = 2.393050203526576 (7.15847e-07% change) linmin: converged after 4 iterations. iteration 1306: trace = 2.3930501758973 (1.15456e-06% change) linmin: converged after 4 iterations. iteration 1307: trace = 2.393050131205801 (1.86755e-06% change) linmin: converged after 5 iterations. iteration 1308: trace = 2.393050089127964 (1.75833e-06% change) large trace change predicted (4.20362e-06%) linmin: converged after 6 iterations. iteration 1309: trace = 2.393049988533434 (4.20361e-06% change) linmin: converged after 4 iterations. iteration 1310: trace = 2.393049937494488 (2.1328e-06% change) large trace change predicted (8.69199e-06%) linmin: converged after 9 iterations. iteration 1311: trace = 2.393049729492954 (8.6919e-06% change) linmin: converged after 4 iterations. iteration 1312: trace = 2.393049607969515 (5.07818e-06% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.393049501404847 (4.45309e-06% change) linmin: converged after 4 iterations. iteration 1314: trace = 2.393049323187542 (7.44729e-06% change) linmin: converged after 4 iterations. iteration 1315: trace = 2.39304926248731 (2.53652e-06% change) large trace change predicted (7.06838e-06%) linmin: converged after 4 iterations. iteration 1316: trace = 2.393049093338875 (7.06832e-06% change) linmin: converged after 4 iterations. iteration 1317: trace = 2.393049058766344 (1.44471e-06% change) large trace change predicted (4.27578e-06%) linmin: converged after 4 iterations. iteration 1318: trace = 2.393048956446813 (4.2757e-06% change) linmin: converged after 4 iterations. iteration 1319: trace = 2.393048927188473 (1.22264e-06% change) linmin: converged after 10 iterations. iteration 1320: trace = 2.393048899655163 (1.15055e-06% change) large trace change predicted (2.34947e-06%) linmin: converged after 4 iterations. iteration 1321: trace = 2.393048843431763 (2.34945e-06% change) linmin: converged after 4 iterations. iteration 1322: trace = 2.393048816737902 (1.11547e-06% change) large trace change predicted (3.55362e-06%) linmin: converged after 5 iterations. iteration 1323: trace = 2.393048731698826 (3.55359e-06% change) linmin: converged after 4 iterations. iteration 1324: trace = 2.393048703664522 (1.17149e-06% change) large trace change predicted (3.85066e-06%) linmin: converged after 7 iterations. iteration 1325: trace = 2.393048611517881 (3.8506e-06% change) linmin: converged after 4 iterations. iteration 1326: trace = 2.393048579464149 (1.33945e-06% change) large trace change predicted (3.0756e-06%) linmin: converged after 4 iterations. iteration 1327: trace = 2.393048505863385 (3.07561e-06% change) linmin: converged after 10 iterations. iteration 1328: trace = 2.393048443971334 (2.58633e-06% change) linmin: converged after 7 iterations. iteration 1329: trace = 2.393048381534923 (2.60907e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1330: trace = 2.393048328290756 (2.22495e-06% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.393048299015218 (1.22336e-06% change) large trace change predicted (2.55996e-06%) linmin: converged after 4 iterations. iteration 1332: trace = 2.393048237753289 (2.56e-06% change) linmin: converged after 7 iterations. iteration 1333: trace = 2.393048197191078 (1.695e-06% change) linmin: converged after 6 iterations. iteration 1334: trace = 2.393048129759274 (2.81782e-06% change) linmin: converged after 5 iterations. iteration 1335: trace = 2.393048041225096 (3.69964e-06% change) linmin: converged after 10 iterations. iteration 1336: trace = 2.393047995579124 (1.90744e-06% change) linmin: converged after 7 iterations. iteration 1337: trace = 2.393047932543754 (2.6341e-06% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.393047913875658 (7.80097e-07% change) linmin: converged after 4 iterations. iteration 1339: trace = 2.393047876559465 (1.55936e-06% change) linmin: converged after 9 iterations. iteration 1340: trace = 2.393047856457463 (8.40017e-07% change) large trace change predicted (2.36425e-06%) linmin: converged after 4 iterations. iteration 1341: trace = 2.393047799879071 (2.36428e-06% change) linmin: converged after 4 iterations. iteration 1342: trace = 2.393047772283724 (1.15315e-06% change) large trace change predicted (3.23171e-06%) linmin: converged after 7 iterations. iteration 1343: trace = 2.393047694946287 (3.23175e-06% change) linmin: converged after 5 iterations. iteration 1344: trace = 2.393047596511027 (4.11338e-06% change) linmin: converged after 5 iterations. iteration 1345: trace = 2.393047474833821 (5.08461e-06% change) linmin: converged after 11 iterations. iteration 1346: trace = 2.393047338806019 (5.68429e-06% change) linmin: converged after 4 iterations. iteration 1347: trace = 2.393047257982458 (3.37743e-06% change) linmin: converged after 4 iterations. iteration 1348: trace = 2.393047135550511 (5.11615e-06% change) linmin: converged after 14 iterations. iteration 1349: trace = 2.393047097102274 (1.60666e-06% change) large trace change predicted (3.51195e-06%) linmin: converged after 4 iterations. iteration 1350: trace = 2.39304701305934 (3.51196e-06% change) linmin: converged after 4 iterations. iteration 1351: trace = 2.393046984576715 (1.19022e-06% change) linmin: converged after 6 iterations. iteration 1352: trace = 2.393046931180142 (2.23132e-06% change) linmin: converged after 5 iterations. iteration 1353: trace = 2.393046915962283 (6.3592e-07% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.393046897778245 (7.5987e-07% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.393046878039405 (8.24841e-07% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.393046866874994 (4.66535e-07% change) large trace change predicted (1.46683e-06%) linmin: converged after 4 iterations. iteration 1357: trace = 2.393046831773244 (1.46682e-06% change) linmin: converged after 4 iterations. iteration 1358: trace = 2.393046814533188 (7.20423e-07% change) large trace change predicted (3.20676e-06%) linmin: converged after 4 iterations. iteration 1359: trace = 2.393046737793498 (3.20678e-06% change) linmin: converged after 4 iterations. iteration 1360: trace = 2.393046708205591 (1.23641e-06% change) large trace change predicted (4.33715e-06%) linmin: converged after 4 iterations. iteration 1361: trace = 2.39304660441495 (4.33718e-06% change) linmin: converged after 11 iterations. iteration 1362: trace = 2.393046566447987 (1.58655e-06% change) large trace change predicted (5.08932e-06%) linmin: converged after 5 iterations. iteration 1363: trace = 2.393046444655694 (5.08942e-06% change) linmin: converged after 5 iterations. iteration 1364: trace = 2.393046383381343 (2.56052e-06% change) linmin: converged after 18 iterations. iteration 1365: trace = 2.393046267203792 (4.8548e-06% change) linmin: converged after 4 iterations. iteration 1366: trace = 2.393046218720034 (2.02603e-06% change) linmin: converged after 5 iterations. iteration 1367: trace = 2.393046139102549 (3.32704e-06% change) linmin: converged after 4 iterations. iteration 1368: trace = 2.393046039867581 (4.14681e-06% change) linmin: converged after 4 iterations. iteration 1369: trace = 2.393046002691606 (1.5535e-06% change) large trace change predicted (4.61047e-06%) linmin: converged after 7 iterations. iteration 1370: trace = 2.39304589235923 (4.61054e-06% change) linmin: converged after 8 iterations. iteration 1371: trace = 2.39304585265538 (1.65913e-06% change) large trace change predicted (3.91846e-06%) linmin: converged after 2 iterations. iteration 1372: trace = 2.393045758883969 (3.9185e-06% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.393045702494113 (2.35641e-06% change) linmin: converged after 6 iterations. iteration 1374: trace = 2.393045627622473 (3.12872e-06% change) linmin: converged after 4 iterations. iteration 1375: trace = 2.393045587604463 (1.67226e-06% change) linmin: converged after 4 iterations. iteration 1376: trace = 2.393045559868877 (1.15901e-06% change) linmin: converged after 6 iterations. iteration 1377: trace = 2.393045517257147 (1.78065e-06% change) linmin: converged after 4 iterations. iteration 1378: trace = 2.393045504406508 (5.36999e-07% change) large trace change predicted (1.65131e-06%) linmin: converged after 6 iterations. iteration 1379: trace = 2.393045464889901 (1.65131e-06% change) linmin: converged after 4 iterations. iteration 1380: trace = 2.3930454486097 (6.80313e-07% change) large trace change predicted (2.07446e-06%) linmin: converged after 4 iterations. iteration 1381: trace = 2.393045398966872 (2.07446e-06% change) linmin: converged after 4 iterations. iteration 1382: trace = 2.393045369916776 (1.21394e-06% change) large trace change predicted (3.85259e-06%) linmin: converged after 4 iterations. iteration 1383: trace = 2.39304527772303 (3.85257e-06% change) linmin: converged after 7 iterations. iteration 1384: trace = 2.393045250595841 (1.13358e-06% change) large trace change predicted (5.11718e-06%) linmin: converged after 2 iterations. iteration 1385: trace = 2.393045128139787 (5.11716e-06% change) linmin: converged after 4 iterations. iteration 1386: trace = 2.393045070773681 (2.3972e-06% change) linmin: converged after 4 iterations. iteration 1387: trace = 2.393044972639807 (4.1008e-06% change) linmin: converged after 6 iterations. iteration 1388: trace = 2.393044886836283 (3.58554e-06% change) linmin: converged after 5 iterations. iteration 1389: trace = 2.393044837888691 (2.04541e-06% change) large trace change predicted (4.93033e-06%) linmin: converged after 20 iterations. iteration 1390: trace = 2.393044719900148 (4.93048e-06% change) linmin: converged after 5 iterations. iteration 1391: trace = 2.393044676916462 (1.79619e-06% change) linmin: converged after 6 iterations. iteration 1392: trace = 2.393044599321871 (3.2425e-06% change) linmin: converged after 8 iterations. iteration 1393: trace = 2.393044558794039 (1.69357e-06% change) linmin: converged after 5 iterations. iteration 1394: trace = 2.39304453182369 (1.12703e-06% change) large trace change predicted (3.21347e-06%) linmin: converged after 14 iterations. iteration 1395: trace = 2.393044454923096 (3.2135e-06% change) linmin: converged after 10 iterations. iteration 1396: trace = 2.393044427490997 (1.14633e-06% change) linmin: converged after 17 iterations. iteration 1397: trace = 2.39304440311078 (1.01879e-06% change) linmin: converged after 4 iterations. iteration 1398: trace = 2.393044358744777 (1.85396e-06% change) linmin: converged after 10 iterations. iteration 1399: trace = 2.393044343179163 (6.50452e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1400: trace = 2.393044317327115 (1.0803e-06% change) linmin: converged after 7 iterations. iteration 1401: trace = 2.393044305443318 (4.96597e-07% change) large trace change predicted (1.44587e-06%) linmin: converged after 9 iterations. iteration 1402: trace = 2.393044270842982 (1.44587e-06% change) linmin: converged after 4 iterations. iteration 1403: trace = 2.393044258847891 (5.01248e-07% change) large trace change predicted (1.16614e-06%) linmin: converged after 4 iterations. iteration 1404: trace = 2.393044230941894 (1.16613e-06% change) linmin: converged after 5 iterations. iteration 1405: trace = 2.393044209751821 (8.85486e-07% change) linmin: converged after 4 iterations. iteration 1406: trace = 2.393044196817415 (5.405e-07% change) linmin: converged after 4 iterations. iteration 1407: trace = 2.393044176109413 (8.65341e-07% change) linmin: converged after 4 iterations. iteration 1408: trace = 2.393044165731455 (4.33672e-07% change) large trace change predicted (1.11444e-06%) linmin: converged after 9 iterations. iteration 1409: trace = 2.39304413906244 (1.11444e-06% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.39304409266283 (1.93894e-06% change) linmin: converged after 7 iterations. iteration 1411: trace = 2.393044078486318 (5.92405e-07% change) large trace change predicted (2.66756e-06%) linmin: converged after 4 iterations. iteration 1412: trace = 2.393044014650757 (2.66755e-06% change) linmin: converged after 13 iterations. iteration 1413: trace = 2.393043996954741 (7.39477e-07% change) large trace change predicted (3.02008e-06%) linmin: converged after 4 iterations. iteration 1414: trace = 2.393043924683424 (3.02006e-06% change) linmin: converged after 22 iterations. iteration 1415: trace = 2.393043867848928 (2.37499e-06% change) linmin: converged after 6 iterations. iteration 1416: trace = 2.393043789572758 (3.27099e-06% change) linmin: converged after 4 iterations. iteration 1417: trace = 2.393043680263648 (4.56779e-06% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.393043604443347 (3.16836e-06% change) large trace change predicted (7.53611e-06%) linmin: converged after 5 iterations. iteration 1419: trace = 2.393043424104625 (7.53596e-06% change) linmin: converged after 5 iterations. iteration 1420: trace = 2.39304335850579 (2.74123e-06% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.393043254417022 (4.34964e-06% change) linmin: converged after 7 iterations. iteration 1422: trace = 2.393043214948686 (1.64929e-06% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.393043156058355 (2.4609e-06% change) linmin: converged after 7 iterations. iteration 1424: trace = 2.393043140534718 (6.48699e-07% change) large trace change predicted (1.5403e-06%) linmin: converged after 4 iterations. iteration 1425: trace = 2.393043103674845 (1.54029e-06% change) linmin: converged after 4 iterations. iteration 1426: trace = 2.393043096206218 (3.12097e-07% change) large trace change predicted (1.23265e-06%) linmin: converged after 4 iterations. iteration 1427: trace = 2.393043066708647 (1.23264e-06% change) linmin: converged after 4 iterations. iteration 1428: trace = 2.393043056058448 (4.45048e-07% change) linmin: converged after 4 iterations. iteration 1429: trace = 2.393043039632064 (6.86422e-07% change) linmin: converged after 8 iterations. iteration 1430: trace = 2.393043027183602 (5.20194e-07% change) linmin: converged after 7 iterations. iteration 1431: trace = 2.393043008271917 (7.90278e-07% change) linmin: converged after 4 iterations. iteration 1432: trace = 2.39304298706774 (8.86076e-07% change) linmin: converged after 4 iterations. iteration 1433: trace = 2.393042975421163 (4.86685e-07% change) large trace change predicted (1.02001e-06%) linmin: converged after 4 iterations. iteration 1434: trace = 2.393042951012751 (1.01997e-06% change) linmin: converged after 4 iterations. iteration 1435: trace = 2.393042942802929 (3.4307e-07% change) large trace change predicted (1.14417e-06%) linmin: converged after 4 iterations. iteration 1436: trace = 2.393042915422527 (1.14417e-06% change) linmin: converged after 4 iterations. iteration 1437: trace = 2.393042901946042 (5.63153e-07% change) linmin: converged after 4 iterations. iteration 1438: trace = 2.393042881506296 (8.54132e-07% change) linmin: converged after 6 iterations. iteration 1439: trace = 2.393042848905756 (1.3623e-06% change) linmin: converged after 4 iterations. iteration 1440: trace = 2.393042831795804 (7.14987e-07% change) large trace change predicted (1.90196e-06%) linmin: converged after 4 iterations. iteration 1441: trace = 2.393042786282017 (1.90192e-06% change) linmin: converged after 5 iterations. iteration 1442: trace = 2.393042762916123 (9.76409e-07% change) large trace change predicted (2.96397e-06%) linmin: converged after 4 iterations. iteration 1443: trace = 2.393042691987336 (2.96396e-06% change) linmin: converged after 4 iterations. iteration 1444: trace = 2.393042661584713 (1.27046e-06% change) linmin: converged after 6 iterations. iteration 1445: trace = 2.393042635600736 (1.08581e-06% change) linmin: converged after 4 iterations. iteration 1446: trace = 2.393042584170177 (2.14917e-06% change) linmin: converged after 7 iterations. iteration 1447: trace = 2.393042571609209 (5.24895e-07% change) linmin: converged after 5 iterations. iteration 1448: trace = 2.39304254672289 (1.03994e-06% change) linmin: converged after 4 iterations. iteration 1449: trace = 2.393042537491473 (3.85761e-07% change) linmin: converged after 4 iterations. iteration 1450: trace = 2.393042523151057 (5.99255e-07% change) linmin: converged after 4 iterations. iteration 1451: trace = 2.393042515401576 (3.23834e-07% change) linmin: converged after 5 iterations. iteration 1452: trace = 2.393042508762096 (2.77449e-07% change) linmin: converged after 5 iterations. iteration 1453: trace = 2.393042498119603 (4.44726e-07% change) linmin: converged after 4 iterations. iteration 1454: trace = 2.393042495550245 (1.07368e-07% change) large trace change predicted (3.63934e-07%) linmin: converged after 4 iterations. iteration 1455: trace = 2.393042486840826 (3.63948e-07% change) linmin: converged after 15 iterations. iteration 1456: trace = 2.393042482976052 (1.615e-07% change) large trace change predicted (4.02781e-07%) linmin: converged after 4 iterations. iteration 1457: trace = 2.393042473337595 (4.0277e-07% change) linmin: converged after 4 iterations. iteration 1458: trace = 2.393042466889655 (2.69445e-07% change) large trace change predicted (6.96831e-07%) linmin: converged after 6 iterations. iteration 1459: trace = 2.393042450214296 (6.96827e-07% change) linmin: converged after 13 iterations. iteration 1460: trace = 2.393042435095394 (6.31786e-07% change) large trace change predicted (1.29455e-06%) linmin: converged after 4 iterations. iteration 1461: trace = 2.393042404115828 (1.29457e-06% change) linmin: converged after 4 iterations. iteration 1462: trace = 2.393042360797549 (1.81018e-06% change) linmin: converged after 5 iterations. iteration 1463: trace = 2.393042331725098 (1.21487e-06% change) large trace change predicted (2.61606e-06%) linmin: converged after 4 iterations. iteration 1464: trace = 2.3930422691221 (2.61604e-06% change) linmin: converged after 4 iterations. iteration 1465: trace = 2.393042245090208 (1.00424e-06% change) linmin: converged after 4 iterations. iteration 1466: trace = 2.393042202360237 (1.78559e-06% change) linmin: converged after 4 iterations. iteration 1467: trace = 2.393042186873802 (6.47144e-07% change) linmin: converged after 4 iterations. iteration 1468: trace = 2.393042159970332 (1.12424e-06% change) linmin: converged after 7 iterations. iteration 1469: trace = 2.393042147368954 (5.26584e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1470: trace = 2.393042136548106 (4.5218e-07% change) linmin: converged after 5 iterations. iteration 1471: trace = 2.393042120431873 (6.73462e-07% change) linmin: converged after 13 iterations. iteration 1472: trace = 2.393042100687925 (8.25056e-07% change) linmin: converged after 10 iterations. iteration 1473: trace = 2.393042086277536 (6.02179e-07% change) large trace change predicted (1.28027e-06%) linmin: converged after 11 iterations. iteration 1474: trace = 2.393042055640114 (1.28027e-06% change) linmin: converged after 4 iterations. iteration 1475: trace = 2.393042046666956 (3.74969e-07% change) large trace change predicted (1.10879e-06%) linmin: converged after 4 iterations. iteration 1476: trace = 2.393042020132585 (1.10881e-06% change) linmin: converged after 6 iterations. iteration 1477: trace = 2.393042014240082 (2.46235e-07% change) large trace change predicted (5.5522e-07%) linmin: converged after 4 iterations. iteration 1478: trace = 2.393042000952688 (5.55251e-07% change) linmin: converged after 9 iterations. iteration 1479: trace = 2.393041993325322 (3.18731e-07% change) linmin: converged after 4 iterations. iteration 1480: trace = 2.393041985948087 (3.08279e-07% change) large trace change predicted (6.94694e-07%) linmin: converged after 5 iterations. iteration 1481: trace = 2.393041969323515 (6.94705e-07% change) linmin: converged after 4 iterations. iteration 1482: trace = 2.39304195675522 (5.25202e-07% change) large trace change predicted (1.11844e-06%) linmin: converged after 3 iterations. iteration 1483: trace = 2.393041929990341 (1.11845e-06% change) linmin: converged after 6 iterations. iteration 1484: trace = 2.393041881010526 (2.04676e-06% change) linmin: converged after 4 iterations. iteration 1485: trace = 2.393041865018243 (6.68283e-07% change) large trace change predicted (1.95539e-06%) linmin: converged after 4 iterations. iteration 1486: trace = 2.393041818225622 (1.95536e-06% change) linmin: converged after 4 iterations. iteration 1487: trace = 2.393041786233193 (1.33689e-06% change) linmin: converged after 4 iterations. iteration 1488: trace = 2.393041764731115 (8.98525e-07% change) linmin: converged after 4 iterations. iteration 1489: trace = 2.393041732595506 (1.34288e-06% change) linmin: converged after 5 iterations. iteration 1490: trace = 2.393041726403632 (2.58745e-07% change) large trace change predicted (6.73454e-07%) linmin: converged after 4 iterations. iteration 1491: trace = 2.393041710287322 (6.73465e-07% change) linmin: converged after 3 iterations. iteration 1492: trace = 2.39304170358024 (2.80274e-07% change) linmin: converged after 4 iterations. iteration 1493: trace = 2.39304169836967 (2.17738e-07% change) linmin: converged after 4 iterations. iteration 1494: trace = 2.393041688544389 (4.10577e-07% change) linmin: converged after 4 iterations. iteration 1495: trace = 2.39304168054873 (3.34121e-07% change) linmin: converged after 4 iterations. iteration 1496: trace = 2.393041670164577 (4.33931e-07% change) linmin: converged after 4 iterations. iteration 1497: trace = 2.393041649895999 (8.4698e-07% change) linmin: converged after 3 iterations. iteration 1498: trace = 2.393041641532912 (3.49475e-07% change) large trace change predicted (9.06592e-07%) linmin: converged after 6 iterations. iteration 1499: trace = 2.393041619837381 (9.06609e-07% change) linmin: converged after 7 iterations. iteration 1500: trace = 2.393041593964983 (1.08115e-06% change) linmin: converged after 4 iterations. iteration 1501: trace = 2.393041575070336 (7.89566e-07% change) large trace change predicted (1.57987e-06%) linmin: converged after 7 iterations. iteration 1502: trace = 2.393041537263086 (1.57988e-06% change) linmin: converged after 4 iterations. iteration 1503: trace = 2.393041525101689 (5.08198e-07% change) large trace change predicted (2.48299e-06%) linmin: converged after 5 iterations. iteration 1504: trace = 2.393041465681474 (2.48304e-06% change) linmin: converged after 4 iterations. iteration 1505: trace = 2.393041434254244 (1.31328e-06% change) linmin: converged after 4 iterations. iteration 1506: trace = 2.393041385020626 (2.05737e-06% change) linmin: converged after 4 iterations. iteration 1507: trace = 2.393041340422551 (1.86366e-06% change) linmin: converged after 4 iterations. iteration 1508: trace = 2.393041326245856 (5.92413e-07% change) large trace change predicted (1.18774e-06%) linmin: converged after 5 iterations. iteration 1509: trace = 2.393041297822866 (1.18774e-06% change) linmin: converged after 4 iterations. iteration 1510: trace = 2.393041288709364 (3.80833e-07% change) linmin: converged after 15 iterations. iteration 1511: trace = 2.393041272254406 (6.87617e-07% change) linmin: converged after 4 iterations. iteration 1512: trace = 2.393041265101723 (2.98895e-07% change) linmin: converged after 4 iterations. iteration 1513: trace = 2.393041254927728 (4.25149e-07% change) linmin: converged after 4 iterations. iteration 1514: trace = 2.393041246505341 (3.51953e-07% change) linmin: converged after 4 iterations. iteration 1515: trace = 2.393041239630398 (2.87289e-07% change) large trace change predicted (9.37233e-07%) linmin: converged after 4 iterations. iteration 1516: trace = 2.39304121720214 (9.37228e-07% change) linmin: converged after 4 iterations. iteration 1517: trace = 2.393041209533915 (3.20438e-07% change) large trace change predicted (2.15833e-06%) linmin: converged after 4 iterations. iteration 1518: trace = 2.393041157884193 (2.15833e-06% change) linmin: converged after 4 iterations. iteration 1519: trace = 2.393041143204537 (6.13431e-07% change) linmin: converged after 5 iterations. iteration 1520: trace = 2.393041117377532 (1.07925e-06% change) linmin: converged after 5 iterations. iteration 1521: trace = 2.393041086670575 (1.28318e-06% change) linmin: converged after 4 iterations. iteration 1522: trace = 2.393041071073566 (6.51765e-07% change) large trace change predicted (1.91148e-06%) linmin: converged after 4 iterations. iteration 1523: trace = 2.393041025330543 (1.9115e-06% change) linmin: converged after 11 iterations. iteration 1524: trace = 2.393041014386847 (4.57313e-07% change) large trace change predicted (1.44187e-06%) linmin: converged after 2 iterations. iteration 1525: trace = 2.393040979882485 (1.44186e-06% change) linmin: converged after 8 iterations. iteration 1526: trace = 2.393040972922209 (2.90855e-07% change) linmin: converged after 9 iterations. iteration 1527: trace = 2.393040959635565 (5.5522e-07% change) linmin: converged after 4 iterations. iteration 1528: trace = 2.393040948763026 (4.5434e-07% change) linmin: converged after 11 iterations. iteration 1529: trace = 2.393040929348199 (8.11304e-07% change) linmin: converged after 6 iterations. iteration 1530: trace = 2.393040912492855 (7.04348e-07% change) linmin: converged after 4 iterations. iteration 1531: trace = 2.393040904353395 (3.4013e-07% change) linmin: converged after 4 iterations. iteration 1532: trace = 2.393040895074797 (3.87733e-07% change) linmin: converged after 7 iterations. iteration 1533: trace = 2.393040887966783 (2.97029e-07% change) linmin: converged after 4 iterations. iteration 1534: trace = 2.39304088473714 (1.3496e-07% change) linmin: converged after 4 iterations. iteration 1535: trace = 2.393040879782963 (2.07024e-07% change) linmin: converged after 4 iterations. iteration 1536: trace = 2.393040875433655 (1.81748e-07% change) linmin: converged after 4 iterations. iteration 1537: trace = 2.393040870054897 (2.24767e-07% change) linmin: converged after 6 iterations. iteration 1538: trace = 2.393040868133536 (8.02895e-08% change) large trace change predicted (5.60159e-07%) linmin: converged after 6 iterations. iteration 1539: trace = 2.393040854728649 (5.60161e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1540: trace = 2.393040846794583 (3.31547e-07% change) linmin: converged after 4 iterations. iteration 1541: trace = 2.393040839758284 (2.94032e-07% change) linmin: converged after 4 iterations. iteration 1542: trace = 2.39304083543161 (1.80802e-07% change) linmin: converged after 5 iterations. iteration 1543: trace = 2.393040830813279 (1.9299e-07% change) linmin: converged after 9 iterations. iteration 1544: trace = 2.393040822632801 (3.41844e-07% change) linmin: converged after 4 iterations. iteration 1545: trace = 2.393040820074101 (1.06923e-07% change) large trace change predicted (4.14473e-07%) linmin: converged after 4 iterations. iteration 1546: trace = 2.393040810155397 (4.14481e-07% change) linmin: converged after 4 iterations. iteration 1547: trace = 2.393040806324217 (1.60097e-07% change) large trace change predicted (6.23616e-07%) linmin: converged after 4 iterations. iteration 1548: trace = 2.393040791400556 (6.23628e-07% change) linmin: converged after 4 iterations. iteration 1549: trace = 2.393040783576778 (3.26939e-07% change) large trace change predicted (6.86578e-07%) linmin: converged after 4 iterations. iteration 1550: trace = 2.393040767146828 (6.86572e-07% change) linmin: converged after 6 iterations. iteration 1551: trace = 2.393040755370885 (4.92091e-07% change) linmin: converged after 4 iterations. iteration 1552: trace = 2.393040745746947 (4.02164e-07% change) large trace change predicted (9.1558e-07%) linmin: converged after 4 iterations. iteration 1553: trace = 2.393040723837213 (9.1556e-07% change) linmin: converged after 14 iterations. iteration 1554: trace = 2.393040712715856 (4.64737e-07% change) large trace change predicted (1.22891e-06%) linmin: converged after 4 iterations. iteration 1555: trace = 2.393040683307668 (1.2289e-06% change) linmin: converged after 4 iterations. iteration 1556: trace = 2.39304067525139 (3.36654e-07% change) large trace change predicted (9.39644e-07%) linmin: converged after 4 iterations. iteration 1557: trace = 2.393040652765202 (9.39649e-07% change) linmin: converged after 4 iterations. iteration 1558: trace = 2.393040635201327 (7.33956e-07% change) linmin: converged after 4 iterations. iteration 1559: trace = 2.393040616804273 (7.68773e-07% change) linmin: converged after 4 iterations. iteration 1560: trace = 2.393040588653364 (1.17637e-06% change) linmin: converged after 13 iterations. iteration 1561: trace = 2.393040576846696 (4.93375e-07% change) linmin: converged after 4 iterations. iteration 1562: trace = 2.393040562742854 (5.89369e-07% change) linmin: converged after 16 iterations. iteration 1563: trace = 2.393040558864877 (1.62052e-07% change) linmin: converged after 8 iterations. iteration 1564: trace = 2.393040551966171 (2.88282e-07% change) linmin: converged after 4 iterations. iteration 1565: trace = 2.393040545470763 (2.71429e-07% change) linmin: converged after 9 iterations. iteration 1566: trace = 2.393040539815847 (2.36307e-07% change) linmin: converged after 13 iterations. iteration 1567: trace = 2.39304052929807 (4.39515e-07% change) linmin: converged after 4 iterations. iteration 1568: trace = 2.393040525338454 (1.65464e-07% change) large trace change predicted (5.71985e-07%) linmin: converged after 17 iterations. iteration 1569: trace = 2.393040511650633 (5.71985e-07% change) linmin: converged after 7 iterations. iteration 1570: trace = 2.393040503011514 (3.6101e-07% change) linmin: converged after 4 iterations. iteration 1571: trace = 2.393040489915184 (5.47267e-07% change) large trace change predicted (1.32425e-06%) linmin: converged after 4 iterations. iteration 1572: trace = 2.393040458225228 (1.32425e-06% change) linmin: converged after 7 iterations. iteration 1573: trace = 2.393040447293773 (4.56802e-07% change) large trace change predicted (1.44134e-06%) linmin: converged after 4 iterations. iteration 1574: trace = 2.393040412802363 (1.44132e-06% change) linmin: converged after 4 iterations. iteration 1575: trace = 2.393040405226142 (3.16594e-07% change) large trace change predicted (8.9362e-07%) linmin: converged after 4 iterations. iteration 1576: trace = 2.393040383841121 (8.93634e-07% change) linmin: converged after 4 iterations. iteration 1577: trace = 2.393040378425415 (2.26311e-07% change) linmin: converged after 3 iterations. iteration 1578: trace = 2.393040368090171 (4.31888e-07% change) linmin: converged after 4 iterations. iteration 1579: trace = 2.393040362721061 (2.24364e-07% change) linmin: converged after 4 iterations. iteration 1580: trace = 2.393040355559958 (2.99247e-07% change) linmin: converged after 4 iterations. iteration 1581: trace = 2.393040349616177 (2.48378e-07% change) linmin: converged after 4 iterations. iteration 1582: trace = 2.393040342680266 (2.89837e-07% change) linmin: converged after 4 iterations. iteration 1583: trace = 2.393040339779458 (1.21218e-07% change) large trace change predicted (2.53118e-07%) linmin: converged after 4 iterations. iteration 1584: trace = 2.393040333722471 (2.53108e-07% change) linmin: converged after 4 iterations. iteration 1585: trace = 2.393040332403908 (5.50999e-08% change) large trace change predicted (1.17414e-07%) linmin: converged after 3 iterations. iteration 1586: trace = 2.39304032959441 (1.17403e-07% change) linmin: converged after 4 iterations. iteration 1587: trace = 2.393040327573919 (8.4432e-08% change) linmin: converged after 5 iterations. iteration 1588: trace = 2.393040324923278 (1.10765e-07% change) linmin: converged after 9 iterations. iteration 1589: trace = 2.393040321174981 (1.56633e-07% change) linmin: converged after 4 iterations. iteration 1590: trace = 2.39304031728698 (1.62471e-07% change) large trace change predicted (3.43055e-07%) linmin: converged after 7 iterations. iteration 1591: trace = 2.393040309077787 (3.43044e-07% change) linmin: converged after 4 iterations. iteration 1592: trace = 2.39304030319758 (2.45721e-07% change) large trace change predicted (5.00735e-07%) linmin: converged after 7 iterations. iteration 1593: trace = 2.393040291214803 (5.00734e-07% change) linmin: converged after 4 iterations. iteration 1594: trace = 2.393040285657796 (2.32215e-07% change) large trace change predicted (7.5518e-07%) linmin: converged after 4 iterations. iteration 1595: trace = 2.39304026758619 (7.55174e-07% change) linmin: converged after 5 iterations. iteration 1596: trace = 2.393040260156152 (3.10485e-07% change) linmin: converged after 5 iterations. iteration 1597: trace = 2.39304024849246 (4.87401e-07% change) linmin: converged after 5 iterations. iteration 1598: trace = 2.393040241879537 (2.7634e-07% change) linmin: converged after 4 iterations. iteration 1599: trace = 2.393040233351875 (3.56353e-07% change) linmin: converged after 4 iterations. iteration 1600: trace = 2.393040228954549 (1.83755e-07% change) linmin: converged after 5 iterations. iteration 1601: trace = 2.393040225950311 (1.25541e-07% change) linmin: converged after 4 iterations. iteration 1602: trace = 2.393040222668372 (1.37145e-07% change) linmin: converged after 4 iterations. iteration 1603: trace = 2.393040221259799 (5.88612e-08% change) large trace change predicted (1.7018e-07%) linmin: converged after 5 iterations. iteration 1604: trace = 2.393040217187468 (1.70174e-07% change) linmin: converged after 4 iterations. iteration 1605: trace = 2.393040215517221 (6.9796e-08% change) large trace change predicted (3.49481e-07%) linmin: converged after 5 iterations. iteration 1606: trace = 2.393040207153975 (3.49482e-07% change) linmin: converged after 4 iterations. iteration 1607: trace = 2.393040202462497 (1.96047e-07% change) linmin: converged after 4 iterations. iteration 1608: trace = 2.393040195280202 (3.00133e-07% change) linmin: converged after 8 iterations. iteration 1609: trace = 2.393040189667386 (2.34547e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1610: trace = 2.39304018718256 (1.03836e-07% change) linmin: converged after 9 iterations. iteration 1611: trace = 2.393040182931914 (1.77625e-07% change) linmin: converged after 4 iterations. iteration 1612: trace = 2.393040178208604 (1.97377e-07% change) linmin: converged after 4 iterations. iteration 1613: trace = 2.393040175099676 (1.29915e-07% change) linmin: converged after 4 iterations. iteration 1614: trace = 2.393040169009963 (2.54476e-07% change) linmin: converged after 3 iterations. iteration 1615: trace = 2.39304016378598 (2.18299e-07% change) linmin: converged after 4 iterations. iteration 1616: trace = 2.393040160235442 (1.48369e-07% change) linmin: converged after 4 iterations. iteration 1617: trace = 2.39304015486111 (2.24582e-07% change) linmin: converged after 3 iterations. iteration 1618: trace = 2.39304015328522 (6.5853e-08% change) large trace change predicted (1.99454e-07%) linmin: converged after 8 iterations. iteration 1619: trace = 2.393040148512031 (1.99461e-07% change) linmin: converged after 3 iterations. iteration 1620: trace = 2.393040146285257 (9.30521e-08% change) linmin: converged after 8 iterations. iteration 1621: trace = 2.393040143599275 (1.12241e-07% change) large trace change predicted (3.1216e-07%) linmin: converged after 4 iterations. iteration 1622: trace = 2.393040136129033 (3.12165e-07% change) linmin: converged after 6 iterations. iteration 1623: trace = 2.393040131772109 (1.82066e-07% change) large trace change predicted (7.17307e-07%) linmin: converged after 5 iterations. iteration 1624: trace = 2.393040114606595 (7.1731e-07% change) linmin: converged after 4 iterations. iteration 1625: trace = 2.393040103331501 (4.71162e-07% change) linmin: converged after 4 iterations. iteration 1626: trace = 2.393040090893176 (5.19771e-07% change) linmin: converged after 12 iterations. iteration 1627: trace = 2.393040085166731 (2.39296e-07% change) linmin: converged after 4 iterations. iteration 1628: trace = 2.393040082167952 (1.25313e-07% change) linmin: converged after 4 iterations. iteration 1629: trace = 2.393040077925505 (1.77283e-07% change) linmin: converged after 4 iterations. iteration 1630: trace = 2.393040077041571 (3.69377e-08% change) large trace change predicted (1.20255e-07%) linmin: converged after 4 iterations. iteration 1631: trace = 2.393040074163912 (1.20251e-07% change) linmin: converged after 5 iterations. iteration 1632: trace = 2.393040073018217 (4.78761e-08% change) large trace change predicted (1.5778e-07%) linmin: converged after 4 iterations. iteration 1633: trace = 2.393040069242464 (1.57781e-07% change) linmin: converged after 4 iterations. iteration 1634: trace = 2.393040066056172 (1.33148e-07% change) linmin: converged after 7 iterations. iteration 1635: trace = 2.393040064186434 (7.81323e-08% change) large trace change predicted (2.17729e-07%) linmin: converged after 4 iterations. iteration 1636: trace = 2.393040058975924 (2.17736e-07% change) linmin: converged after 18 iterations. iteration 1637: trace = 2.393040056631994 (9.79478e-08% change) large trace change predicted (2.06355e-07%) linmin: converged after 21 iterations. iteration 1638: trace = 2.393040051693809 (2.06356e-07% change) linmin: converged after 7 iterations. iteration 1639: trace = 2.393040044919326 (2.83091e-07% change) linmin: converged after 4 iterations. iteration 1640: trace = 2.393040038455272 (2.70119e-07% change) large trace change predicted (6.5649e-07%) linmin: converged after 4 iterations. iteration 1641: trace = 2.393040022745184 (6.56491e-07% change) linmin: converged after 4 iterations. iteration 1642: trace = 2.393040017785466 (2.07256e-07% change) large trace change predicted (5.7597e-07%) linmin: converged after 13 iterations. iteration 1643: trace = 2.393040004001944 (5.75984e-07% change) linmin: converged after 4 iterations. iteration 1644: trace = 2.393039992584766 (4.77099e-07% change) linmin: converged after 8 iterations. iteration 1645: trace = 2.393039986722047 (2.4499e-07% change) large trace change predicted (6.18843e-07%) linmin: converged after 4 iterations. iteration 1646: trace = 2.393039971912742 (6.18849e-07% change) linmin: converged after 4 iterations. iteration 1647: trace = 2.393039968652185 (1.36252e-07% change) large trace change predicted (4.0906e-07%) linmin: converged after 4 iterations. iteration 1648: trace = 2.393039958862991 (4.09069e-07% change) linmin: converged after 4 iterations. iteration 1649: trace = 2.393039955687987 (1.32677e-07% change) linmin: converged after 4 iterations. iteration 1650: trace = 2.393039952499427 (1.33243e-07% change) linmin: converged after 17 iterations. iteration 1651: trace = 2.393039948875656 (1.5143e-07% change) linmin: converged after 15 iterations. iteration 1652: trace = 2.393039947780938 (4.57459e-08% change) large trace change predicted (1.43921e-07%) linmin: converged after 8 iterations. iteration 1653: trace = 2.393039944337343 (1.439e-07% change) linmin: converged after 4 iterations. iteration 1654: trace = 2.393039940819313 (1.47011e-07% change) linmin: converged after 4 iterations. iteration 1655: trace = 2.393039933794701 (2.93543e-07% change) linmin: converged after 11 iterations. iteration 1656: trace = 2.393039926019022 (3.24929e-07% change) linmin: converged after 3 iterations. iteration 1657: trace = 2.393039918181645 (3.27507e-07% change) linmin: converged after 3 iterations. iteration 1658: trace = 2.393039904667981 (5.64707e-07% change) linmin: converged after 4 iterations. iteration 1659: trace = 2.39303989890842 (2.4068e-07% change) linmin: converged after 6 iterations. iteration 1660: trace = 2.39303989132106 (3.1706e-07% change) linmin: converged after 5 iterations. iteration 1661: trace = 2.393039883645333 (3.20752e-07% change) linmin: converged after 4 iterations. iteration 1662: trace = 2.393039879392801 (1.77704e-07% change) linmin: converged after 4 iterations. iteration 1663: trace = 2.393039872002189 (3.08838e-07% change) linmin: converged after 6 iterations. iteration 1664: trace = 2.393039869276012 (1.13921e-07% change) large trace change predicted (2.59296e-07%) linmin: converged after 4 iterations. iteration 1665: trace = 2.393039863070807 (2.59302e-07% change) linmin: converged after 4 iterations. iteration 1666: trace = 2.393039858189046 (2.03998e-07% change) linmin: converged after 5 iterations. iteration 1667: trace = 2.393039856356828 (7.65645e-08% change) large trace change predicted (2.25229e-07%) linmin: converged after 4 iterations. iteration 1668: trace = 2.393039850966869 (2.25235e-07% change) linmin: converged after 4 iterations. iteration 1669: trace = 2.393039849961905 (4.19953e-08% change) large trace change predicted (1.31283e-07%) linmin: converged after 4 iterations. iteration 1670: trace = 2.393039846820505 (1.31272e-07% change) linmin: converged after 4 iterations. iteration 1671: trace = 2.393039844534271 (9.55368e-08% change) linmin: converged after 4 iterations. iteration 1672: trace = 2.393039843655392 (3.67265e-08% change) large trace change predicted (9.20826e-08%) linmin: converged after 4 iterations. iteration 1673: trace = 2.393039841451974 (9.20761e-08% change) linmin: converged after 6 iterations. iteration 1674: trace = 2.393039840143291 (5.4687e-08% change) large trace change predicted (2.01592e-07%) linmin: converged after 4 iterations. iteration 1675: trace = 2.393039835318635 (2.01612e-07% change) linmin: converged after 4 iterations. iteration 1676: trace = 2.393039832311233 (1.25673e-07% change) large trace change predicted (3.40831e-07%) linmin: converged after 4 iterations. iteration 1677: trace = 2.393039824154822 (3.40839e-07% change) large trace change predicted (9.72107e-07%) linmin: converged after 4 iterations. iteration 1678: trace = 2.393039800892087 (9.721e-07% change) linmin: converged after 7 iterations. iteration 1679: trace = 2.39303977955218 (8.91749e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1680: trace = 2.393039764010439 (6.49456e-07% change) linmin: converged after 4 iterations. iteration 1681: trace = 2.393039750055962 (5.83128e-07% change) linmin: converged after 4 iterations. iteration 1682: trace = 2.393039739693763 (4.33014e-07% change) linmin: converged after 4 iterations. iteration 1683: trace = 2.393039736613394 (1.28722e-07% change) linmin: converged after 4 iterations. iteration 1684: trace = 2.393039730625631 (2.50216e-07% change) linmin: converged after 4 iterations. iteration 1685: trace = 2.393039729934849 (2.88663e-08% change) large trace change predicted (7.98981e-08%) linmin: converged after 21 iterations. iteration 1686: trace = 2.393039728022628 (7.99076e-08% change) linmin: converged after 4 iterations. iteration 1687: trace = 2.39303972641626 (6.71267e-08% change) linmin: converged after 15 iterations. iteration 1688: trace = 2.393039725780088 (2.65842e-08% change) large trace change predicted (6.05568e-08%) linmin: converged after 4 iterations. iteration 1689: trace = 2.393039724331282 (6.05425e-08% change) linmin: converged after 5 iterations. iteration 1690: trace = 2.393039721840434 (1.04087e-07% change) linmin: converged after 4 iterations. iteration 1691: trace = 2.393039720421821 (5.92808e-08% change) large trace change predicted (1.84038e-07%) linmin: converged after 21 iterations. iteration 1692: trace = 2.393039716017662 (1.8404e-07% change) linmin: converged after 2 iterations. iteration 1693: trace = 2.393039713790926 (9.30505e-08% change) linmin: converged after 4 iterations. iteration 1694: trace = 2.393039710845707 (1.23074e-07% change) linmin: converged after 3 iterations. iteration 1695: trace = 2.393039707018541 (1.59929e-07% change) linmin: converged after 4 iterations. iteration 1696: trace = 2.393039704780546 (9.3521e-08% change) large trace change predicted (2.38218e-07%) linmin: converged after 4 iterations. iteration 1697: trace = 2.3930396990801 (2.38209e-07% change) linmin: converged after 4 iterations. iteration 1698: trace = 2.393039694084266 (2.08765e-07% change) linmin: converged after 4 iterations. iteration 1699: trace = 2.393039692247144 (7.67694e-08% change) large trace change predicted (2.55589e-07%) linmin: converged after 12 iterations. iteration 1700: trace = 2.393039686131317 (2.55567e-07% change) linmin: converged after 3 iterations. iteration 1701: trace = 2.393039682285895 (1.60692e-07% change) linmin: converged after 6 iterations. iteration 1702: trace = 2.39303967855377 (1.55957e-07% change) linmin: converged after 2 iterations. iteration 1703: trace = 2.393039673036079 (2.30572e-07% change) linmin: converged after 4 iterations. iteration 1704: trace = 2.393039671430901 (6.70769e-08% change) linmin: converged after 4 iterations. iteration 1705: trace = 2.393039668355911 (1.28497e-07% change) linmin: converged after 5 iterations. iteration 1706: trace = 2.393039667680652 (2.82176e-08% change) linmin: converged after 4 iterations. iteration 1707: trace = 2.393039666376056 (5.45163e-08% change) linmin: converged after 6 iterations. iteration 1708: trace = 2.393039665824615 (2.30435e-08% change) large trace change predicted (4.93479e-08%) linmin: converged after 12 iterations. iteration 1709: trace = 2.393039664643942 (4.93378e-08% change) linmin: converged after 5 iterations. iteration 1710: trace = 2.393039663040258 (6.70145e-08% change) linmin: converged after 6 iterations. iteration 1711: trace = 2.393039661111772 (8.05873e-08% change) linmin: converged after 4 iterations. iteration 1712: trace = 2.393039657473133 (1.52051e-07% change) linmin: converged after 4 iterations. iteration 1713: trace = 2.393039655456989 (8.42504e-08% change) large trace change predicted (2.23248e-07%) linmin: converged after 3 iterations. iteration 1714: trace = 2.393039650114785 (2.23239e-07% change) linmin: converged after 4 iterations. iteration 1715: trace = 2.393039647737429 (9.93446e-08% change) linmin: converged after 18 iterations. iteration 1716: trace = 2.393039643349094 (1.83379e-07% change) linmin: converged after 15 iterations. iteration 1717: trace = 2.393039639653405 (1.54435e-07% change) linmin: converged after 7 iterations. iteration 1718: trace = 2.39303963643279 (1.34583e-07% change) linmin: converged after 4 iterations. iteration 1719: trace = 2.393039632658464 (1.57721e-07% change) linmin: converged after 9 iterations. iteration 1720: trace = 2.393039631218924 (6.01553e-08% change) large trace change predicted (1.30652e-07%) linmin: converged after 3 iterations. iteration 1721: trace = 2.393039628092728 (1.30637e-07% change) linmin: converged after 2 iterations. iteration 1722: trace = 2.393039627286453 (3.36925e-08% change) linmin: converged after 4 iterations. iteration 1723: trace = 2.393039625736548 (6.47672e-08% change) linmin: converged after 24 iterations. iteration 1724: trace = 2.393039624649981 (4.54053e-08% change) linmin: converged after 7 iterations. iteration 1725: trace = 2.393039623860726 (3.29813e-08% change) linmin: converged after 4 iterations. iteration 1726: trace = 2.39303962257965 (5.35334e-08% change) linmin: converged after 4 iterations. iteration 1727: trace = 2.39303962206265 (2.16043e-08% change) linmin: converged after 9 iterations. iteration 1728: trace = 2.393039621317967 (3.11187e-08% change) linmin: converged after 4 iterations. iteration 1729: trace = 2.393039620836857 (2.01045e-08% change) linmin: converged after 4 iterations. iteration 1730: trace = 2.393039620220901 (2.57395e-08% change) linmin: converged after 12 iterations. iteration 1731: trace = 2.393039619854805 (1.52984e-08% change) large trace change predicted (5.47441e-08%) linmin: converged after 15 iterations. iteration 1732: trace = 2.39303961854509 (5.47302e-08% change) linmin: converged after 6 iterations. iteration 1733: trace = 2.393039617970964 (2.39915e-08% change) large trace change predicted (8.7852e-08%) linmin: converged after 6 iterations. iteration 1734: trace = 2.393039615868747 (8.78472e-08% change) linmin: converged after 4 iterations. iteration 1735: trace = 2.393039614439605 (5.97208e-08% change) large trace change predicted (1.21435e-07%) linmin: converged after 8 iterations. iteration 1736: trace = 2.393039611533673 (1.21433e-07% change) linmin: converged after 4 iterations. iteration 1737: trace = 2.393039609270611 (9.45685e-08% change) linmin: converged after 4 iterations. iteration 1738: trace = 2.393039605687984 (1.4971e-07% change) linmin: converged after 4 iterations. iteration 1739: trace = 2.393039604795215 (3.73069e-08% change) large trace change predicted (1.06678e-07%) linmin: converged after 3 iterations. iteration 1740: trace = 2.393039602242241 (1.06683e-07% change) linmin: converged after 8 iterations. iteration 1741: trace = 2.393039601477468 (3.19582e-08% change) linmin: converged after 4 iterations. iteration 1742: trace = 2.393039600237158 (5.18299e-08% change) linmin: converged after 7 iterations. iteration 1743: trace = 2.393039599567867 (2.79682e-08% change) linmin: converged after 5 iterations. iteration 1744: trace = 2.393039599073902 (2.06418e-08% change) linmin: converged after 3 iterations. iteration 1745: trace = 2.393039598422529 (2.72195e-08% change) linmin: converged after 8 iterations. iteration 1746: trace = 2.393039598036147 (1.61461e-08% change) large trace change predicted (4.51394e-08%) linmin: converged after 8 iterations. iteration 1747: trace = 2.393039596956115 (4.51322e-08% change) linmin: converged after 14 iterations. iteration 1748: trace = 2.393039596321787 (2.65072e-08% change) large trace change predicted (7.90315e-08%) linmin: converged after 15 iterations. iteration 1749: trace = 2.393039594430727 (7.90233e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1750: trace = 2.393039593907173 (2.18782e-08% change) linmin: converged after 4 iterations. iteration 1751: trace = 2.393039593420764 (2.0326e-08% change) linmin: converged after 4 iterations. iteration 1752: trace = 2.39303959273847 (2.85116e-08% change) linmin: converged after 3 iterations. iteration 1753: trace = 2.393039592362321 (1.57185e-08% change) linmin: converged after 3 iterations. iteration 1754: trace = 2.393039591834003 (2.20773e-08% change) large trace change predicted (5.85305e-08%) linmin: converged after 18 iterations. iteration 1755: trace = 2.393039590433271 (5.85336e-08% change) linmin: converged after 4 iterations. iteration 1756: trace = 2.393039590085956 (1.45136e-08% change) large trace change predicted (7.01621e-08%) linmin: converged after 5 iterations. iteration 1757: trace = 2.393039588406655 (7.01744e-08% change) linmin: converged after 16 iterations. iteration 1758: trace = 2.393039586857253 (6.47462e-08% change) linmin: converged after 4 iterations. iteration 1759: trace = 2.393039586270855 (2.45043e-08% change) large trace change predicted (6.00454e-08%) linmin: converged after 4 iterations. iteration 1760: trace = 2.393039584833722 (6.00547e-08% change) linmin: converged after 12 iterations. iteration 1761: trace = 2.393039583698161 (4.74526e-08% change) linmin: converged after 4 iterations. iteration 1762: trace = 2.393039583088097 (2.54933e-08% change) large trace change predicted (1.17534e-07%) linmin: converged after 4 iterations. iteration 1763: trace = 2.393039580275759 (1.17522e-07% change) linmin: converged after 4 iterations. iteration 1764: trace = 2.393039579470448 (3.36522e-08% change) large trace change predicted (1.21013e-07%) linmin: converged after 3 iterations. iteration 1765: trace = 2.393039576574571 (1.21013e-07% change) linmin: converged after 18 iterations. iteration 1766: trace = 2.393039575236267 (5.59249e-08% change) linmin: converged after 24 iterations. iteration 1767: trace = 2.39303957429082 (3.95082e-08% change) linmin: converged after 15 iterations. iteration 1768: trace = 2.393039572447418 (7.70318e-08% change) linmin: converged after 4 iterations. iteration 1769: trace = 2.393039571723361 (3.02568e-08% change) linmin: converged after 13 iterations. iteration 1770: trace = 2.393039570725867 (4.16831e-08% change) linmin: converged after 4 iterations. iteration 1771: trace = 2.393039570156724 (2.37833e-08% change) linmin: converged after 4 iterations. iteration 1772: trace = 2.393039569973194 (7.66929e-09% change) large trace change predicted (1.97065e-08%) linmin: converged after 4 iterations. iteration 1773: trace = 2.393039569501248 (1.97216e-08% change) linmin: converged after 6 iterations. iteration 1774: trace = 2.393039568825229 (2.82494e-08% change) linmin: converged after 4 iterations. iteration 1775: trace = 2.39303956850532 (1.33683e-08% change) large trace change predicted (7.00244e-08%) linmin: converged after 3 iterations. iteration 1776: trace = 2.393039566829835 (7.0015e-08% change) linmin: converged after 8 iterations. iteration 1777: trace = 2.393039564616725 (9.24811e-08% change) linmin: converged after 4 iterations. iteration 1778: trace = 2.393039562203077 (1.00861e-07% change) linmin: converged after 4 iterations. iteration 1779: trace = 2.393039558363005 (1.60468e-07% change) linmin: converged after 4 iterations. iteration 1780: trace = 2.3930395566286 (7.24771e-08% change) linmin: converged after 4 iterations. iteration 1781: trace = 2.393039553776727 (1.19174e-07% change) linmin: converged after 5 iterations. iteration 1782: trace = 2.393039551186797 (1.08228e-07% change) linmin: converged after 4 iterations. iteration 1783: trace = 2.39303955064044 (2.28311e-08% change) large trace change predicted (8.77814e-08%) linmin: converged after 4 iterations. iteration 1784: trace = 2.393039548539862 (8.77787e-08% change) linmin: converged after 4 iterations. iteration 1785: trace = 2.393039547972618 (2.37039e-08% change) linmin: converged after 5 iterations. iteration 1786: trace = 2.393039546964365 (4.21328e-08% change) linmin: converged after 4 iterations. iteration 1787: trace = 2.393039545797441 (4.87633e-08% change) linmin: converged after 4 iterations. iteration 1788: trace = 2.393039545237163 (2.34128e-08% change) large trace change predicted (5.90909e-08%) linmin: converged after 5 iterations. iteration 1789: trace = 2.393039543822896 (5.90992e-08% change) linmin: converged after 12 iterations. iteration 1790: trace = 2.393039543032467 (3.30303e-08% change) linmin: converged after 4 iterations. iteration 1791: trace = 2.393039542577954 (1.89931e-08% change) linmin: converged after 8 iterations. iteration 1792: trace = 2.393039541763135 (3.40496e-08% change) linmin: converged after 6 iterations. iteration 1793: trace = 2.393039541043551 (3.00699e-08% change) linmin: converged after 4 iterations. iteration 1794: trace = 2.393039539963685 (4.51253e-08% change) large trace change predicted (1.10838e-07%) linmin: converged after 15 iterations. iteration 1795: trace = 2.393039537311493 (1.10829e-07% change) linmin: converged after 4 iterations. iteration 1796: trace = 2.393039536333442 (4.08707e-08% change) large trace change predicted (1.75768e-07%) linmin: converged after 5 iterations. iteration 1797: trace = 2.39303953212755 (1.75755e-07% change) linmin: converged after 9 iterations. iteration 1798: trace = 2.393039529326443 (1.17052e-07% change) linmin: converged after 4 iterations. iteration 1799: trace = 2.393039528185163 (4.76917e-08% change) linmin: converged after 4 iterations. iteration 1800: trace = 2.393039526870903 (5.49201e-08% change) linmin: converged after 4 iterations. iteration 1801: trace = 2.393039526155441 (2.98976e-08% change) linmin: converged after 3 iterations. iteration 1802: trace = 2.39303952518417 (4.05874e-08% change) linmin: converged after 5 iterations. iteration 1803: trace = 2.393039524266048 (3.83664e-08% change) linmin: converged after 5 iterations. iteration 1804: trace = 2.39303952384891 (1.74313e-08% change) linmin: converged after 4 iterations. iteration 1805: trace = 2.393039523062919 (3.28449e-08% change) linmin: converged after 4 iterations. iteration 1806: trace = 2.393039522721636 (1.42615e-08% change) linmin: converged after 3 iterations. iteration 1807: trace = 2.393039522211775 (2.1306e-08% change) linmin: converged after 6 iterations. iteration 1808: trace = 2.393039521398135 (3.40003e-08% change) linmin: converged after 6 iterations. iteration 1809: trace = 2.393039521165752 (9.71081e-09% change) large trace change predicted (3.80548e-08%) linmin: converged after 3 iterations. iteration 1810: trace = 2.3930395202551 (3.80542e-08% change) linmin: converged after 15 iterations. iteration 1811: trace = 2.393039519938909 (1.32129e-08% change) large trace change predicted (3.44102e-08%) linmin: converged after 13 iterations. iteration 1812: trace = 2.393039519115651 (3.44022e-08% change) linmin: converged after 3 iterations. iteration 1813: trace = 2.393039518426034 (2.88176e-08% change) linmin: converged after 15 iterations. iteration 1814: trace = 2.393039518035018 (1.63397e-08% change) large trace change predicted (1.68317e-07%) linmin: converged after 4 iterations. iteration 1815: trace = 2.393039514007436 (1.68304e-07% change) linmin: converged after 5 iterations. iteration 1816: trace = 2.393039512300944 (7.13106e-08% change) large trace change predicted (4.1775e-07%) linmin: converged after 4 iterations. iteration 1817: trace = 2.393039502304406 (4.17734e-07% change) linmin: converged after 4 iterations. iteration 1818: trace = 2.393039495015239 (3.04599e-07% change) linmin: converged after 9 iterations. iteration 1819: trace = 2.393039488570439 (2.69314e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1820: trace = 2.393039484081988 (1.87563e-07% change) linmin: converged after 22 iterations. iteration 1821: trace = 2.393039479568118 (1.88625e-07% change) linmin: converged after 5 iterations. iteration 1822: trace = 2.39303947350885 (2.53204e-07% change) linmin: converged after 4 iterations. iteration 1823: trace = 2.393039472501099 (4.21117e-08% change) large trace change predicted (1.00227e-07%) linmin: converged after 5 iterations. iteration 1824: trace = 2.393039470102659 (1.00226e-07% change) linmin: converged after 5 iterations. iteration 1825: trace = 2.393039469587826 (2.15138e-08% change) linmin: converged after 7 iterations. iteration 1826: trace = 2.393039469284597 (1.26713e-08% change) linmin: converged after 9 iterations. iteration 1827: trace = 2.393039468989501 (1.23314e-08% change) linmin: converged after 3 iterations. iteration 1828: trace = 2.393039468762381 (9.49086e-09% change) linmin: converged after 4 iterations. iteration 1829: trace = 2.393039468582002 (7.53763e-09% change) large trace change predicted (1.64284e-08%) linmin: converged after 4 iterations. iteration 1830: trace = 2.393039468188831 (1.64298e-08% change) linmin: converged after 3 iterations. iteration 1831: trace = 2.393039468077939 (4.63395e-09% change) large trace change predicted (1.58455e-08%) linmin: converged after 9 iterations. iteration 1832: trace = 2.393039467698462 (1.58575e-08% change) linmin: converged after 3 iterations. iteration 1833: trace = 2.393039467482168 (9.03845e-09% change) linmin: converged after 18 iterations. iteration 1834: trace = 2.393039467374841 (4.48495e-09% change) large trace change predicted (1.43701e-08%) linmin: converged after 4 iterations. iteration 1835: trace = 2.393039467030893 (1.43729e-08% change) linmin: converged after 3 iterations. iteration 1836: trace = 2.393039466657457 (1.56051e-08% change) linmin: converged after 4 iterations. iteration 1837: trace = 2.393039466447072 (8.7915e-09% change) large trace change predicted (2.66367e-08%) linmin: converged after 3 iterations. iteration 1838: trace = 2.393039465809741 (2.66327e-08% change) linmin: converged after 5 iterations. iteration 1839: trace = 2.393039465355733 (1.8972e-08% change) linmin: converged after 15 iterations. iteration 1840: trace = 2.393039464852271 (2.10386e-08% change) linmin: converged after 4 iterations. iteration 1841: trace = 2.393039463876717 (4.07663e-08% change) linmin: converged after 4 iterations. iteration 1842: trace = 2.393039463386607 (2.04806e-08% change) linmin: converged after 3 iterations. iteration 1843: trace = 2.39303946247426 (3.8125e-08% change) linmin: converged after 3 iterations. iteration 1844: trace = 2.393039461892562 (2.43079e-08% change) linmin: converged after 4 iterations. iteration 1845: trace = 2.39303946153948 (1.47545e-08% change) linmin: converged after 3 iterations. iteration 1846: trace = 2.393039461269766 (1.12708e-08% change) linmin: converged after 9 iterations. iteration 1847: trace = 2.393039461177974 (3.83582e-09% change) linmin: converged after 3 iterations. iteration 1848: trace = 2.393039461018711 (6.65523e-09% change) linmin: converged after 5 iterations. iteration 1849: trace = 2.3930394607626 (1.07023e-08% change) linmin: converged after 5 iterations. iteration 1850: trace = 2.393039460614487 (6.18931e-09% change) large trace change predicted (1.47165e-08%) linmin: converged after 12 iterations. iteration 1851: trace = 2.393039460262448 (1.4711e-08% change) linmin: converged after 4 iterations. iteration 1852: trace = 2.393039460137845 (5.20689e-09% change) large trace change predicted (1.17363e-08%) linmin: converged after 5 iterations. iteration 1853: trace = 2.393039459856961 (1.17375e-08% change) linmin: converged after 12 iterations. iteration 1854: trace = 2.393039459634852 (9.28148e-09% change) linmin: converged after 4 iterations. iteration 1855: trace = 2.393039459337167 (1.24396e-08% change) linmin: converged after 15 iterations. iteration 1856: trace = 2.393039458920251 (1.7422e-08% change) linmin: converged after 5 iterations. iteration 1857: trace = 2.393039458671261 (1.04048e-08% change) large trace change predicted (3.21123e-08%) linmin: converged after 3 iterations. iteration 1858: trace = 2.393039457902927 (3.2107e-08% change) linmin: converged after 5 iterations. iteration 1859: trace = 2.393039457625665 (1.15862e-08% change) large trace change predicted (3.00343e-08%) linmin: converged after 3 iterations. iteration 1860: trace = 2.393039456907079 (3.00282e-08% change) linmin: converged after 4 iterations. iteration 1861: trace = 2.393039456614725 (1.22168e-08% change) linmin: converged after 4 iterations. iteration 1862: trace = 2.393039456209651 (1.69272e-08% change) linmin: converged after 4 iterations. iteration 1863: trace = 2.393039455745036 (1.94152e-08% change) linmin: converged after 3 iterations. iteration 1864: trace = 2.393039455610807 (5.60915e-09% change) large trace change predicted (1.26266e-08%) linmin: converged after 4 iterations. iteration 1865: trace = 2.393039455308747 (1.26225e-08% change) linmin: converged after 4 iterations. iteration 1866: trace = 2.393039455241222 (2.82171e-09% change) large trace change predicted (6.66801e-09%) linmin: converged after 12 iterations. iteration 1867: trace = 2.393039455081451 (6.6765e-09% change) linmin: converged after 3 iterations. iteration 1868: trace = 2.393039455035793 (1.90796e-09% change) linmin: converged after 6 iterations. iteration 1869: trace = 2.393039454965693 (2.92931e-09% change) linmin: converged after 9 iterations. iteration 1870: trace = 2.39303945485351 (4.68789e-09% change) linmin: converged after 16 iterations. iteration 1871: trace = 2.393039454815288 (1.59723e-09% change) large trace change predicted (8.30957e-09%) linmin: converged after 4 iterations. iteration 1872: trace = 2.39303945461575 (8.33824e-09% change) linmin: converged after 4 iterations. iteration 1873: trace = 2.393039454542886 (3.04485e-09% change) large trace change predicted (1.46625e-08%) linmin: converged after 5 iterations. iteration 1874: trace = 2.393039454191828 (1.467e-08% change) linmin: converged after 4 iterations. iteration 1875: trace = 2.393039453902738 (1.20805e-08% change) linmin: converged after 8 iterations. iteration 1876: trace = 2.393039453663679 (9.98976e-09% change) large trace change predicted (2.14744e-08%) linmin: converged after 4 iterations. iteration 1877: trace = 2.393039453149391 (2.1491e-08% change) linmin: converged after 3 iterations. iteration 1878: trace = 2.393039453036628 (4.71215e-09% change) large trace change predicted (1.02485e-08%) linmin: converged after 6 iterations. iteration 1879: trace = 2.393039452791139 (1.02585e-08% change) linmin: converged after 3 iterations. iteration 1880: trace = 2.393039452714517 (3.20186e-09% change) linmin: converged after 9 iterations. iteration 1881: trace = 2.393039452573159 (5.90703e-09% change) linmin: converged after 9 iterations. iteration 1882: trace = 2.393039452507627 (2.73844e-09% change) linmin: converged after 4 iterations. iteration 1883: trace = 2.393039452386425 (5.06478e-09% change) linmin: converged after 3 iterations. iteration 1884: trace = 2.393039452227881 (6.62523e-09% change) linmin: converged after 15 iterations. iteration 1885: trace = 2.393039452127997 (4.17392e-09% change) linmin: converged after 12 iterations. iteration 1886: trace = 2.393039451946437 (7.58701e-09% change) linmin: converged after 6 iterations. iteration 1887: trace = 2.393039451900567 (1.91681e-09% change) large trace change predicted (4.3894e-09%) linmin: converged after 6 iterations. iteration 1888: trace = 2.393039451795502 (4.39044e-09% change) linmin: converged after 5 iterations. iteration 1889: trace = 2.393039451755762 (1.66064e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1890: trace = 2.393039451734298 (8.9696e-10% change) large trace change predicted (1.9434e-09%) linmin: converged after 4 iterations. iteration 1891: trace = 2.3930394516882 (1.92635e-09% change) linmin: converged after 6 iterations. iteration 1892: trace = 2.393039451626216 (2.59015e-09% change) linmin: converged after 6 iterations. iteration 1893: trace = 2.393039451575114 (2.13545e-09% change) large trace change predicted (6.37908e-09%) linmin: converged after 6 iterations. iteration 1894: trace = 2.393039451422565 (6.37468e-09% change) linmin: converged after 3 iterations. iteration 1895: trace = 2.393039451352757 (2.91715e-09% change) large trace change predicted (7.30897e-09%) linmin: converged after 4 iterations. iteration 1896: trace = 2.39303945117764 (7.31778e-09% change) linmin: converged after 4 iterations. iteration 1897: trace = 2.393039451014691 (6.80928e-09% change) linmin: converged after 5 iterations. iteration 1898: trace = 2.393039450928482 (3.60248e-09% change) linmin: converged after 3 iterations. iteration 1899: trace = 2.393039450766429 (6.77187e-09% change) linmin: converged after 10 iterations. iteration 1900: trace = 2.393039450619521 (6.13894e-09% change) linmin: converged after 9 iterations. iteration 1901: trace = 2.393039450481397 (5.77193e-09% change) large trace change predicted (1.37452e-08%) linmin: converged after 6 iterations. iteration 1902: trace = 2.39303945015247 (1.37451e-08% change) linmin: converged after 13 iterations. iteration 1903: trace = 2.393039450075025 (3.23627e-09% change) large trace change predicted (1.02231e-08%) linmin: converged after 5 iterations. iteration 1904: trace = 2.393039449830154 (1.02326e-08% change) linmin: converged after 4 iterations. iteration 1905: trace = 2.393039449594766 (9.83635e-09% change) linmin: converged after 5 iterations. iteration 1906: trace = 2.39303944946226 (5.53716e-09% change) linmin: converged after 3 iterations. iteration 1907: trace = 2.393039449276768 (7.75132e-09% change) linmin: converged after 4 iterations. iteration 1908: trace = 2.393039449097325 (7.49851e-09% change) linmin: converged after 4 iterations. iteration 1909: trace = 2.393039449014233 (3.47225e-09% change) linmin: converged after 3 iterations. iteration 1910: trace = 2.39303944891337 (4.21488e-09% change) linmin: converged after 4 iterations. iteration 1911: trace = 2.393039448891721 (9.04643e-10% change) large trace change predicted (2.88798e-09%) linmin: converged after 3 iterations. iteration 1912: trace = 2.393039448822574 (2.8895e-09% change) linmin: converged after 4 iterations. iteration 1913: trace = 2.393039448767053 (2.32012e-09% change) linmin: converged after 5 iterations. iteration 1914: trace = 2.393039448712644 (2.27363e-09% change) large trace change predicted (9.76691e-09%) linmin: converged after 4 iterations. iteration 1915: trace = 2.393039448479089 (9.75976e-09% change) linmin: converged after 4 iterations. iteration 1916: trace = 2.393039448401244 (3.25299e-09% change) large trace change predicted (1.54244e-08%) linmin: converged after 4 iterations. iteration 1917: trace = 2.393039448032157 (1.54233e-08% change) linmin: converged after 4 iterations. iteration 1918: trace = 2.393039447852846 (7.49301e-09% change) large trace change predicted (2.05023e-08%) linmin: converged after 5 iterations. iteration 1919: trace = 2.39303944736242 (2.04939e-08% change) linmin: converged after 4 iterations. iteration 1920: trace = 2.393039447052423 (1.29541e-08% change) linmin: converged after 3 iterations. iteration 1921: trace = 2.393039446896045 (6.5347e-09% change) linmin: converged after 14 iterations. iteration 1922: trace = 2.393039446616436 (1.16843e-08% change) linmin: converged after 6 iterations. iteration 1923: trace = 2.393039446530206 (3.60337e-09% change) large trace change predicted (1.233e-08%) linmin: converged after 4 iterations. iteration 1924: trace = 2.393039446235395 (1.23195e-08% change) linmin: converged after 4 iterations. iteration 1925: trace = 2.393039446120371 (4.80661e-09% change) large trace change predicted (9.74189e-09%) linmin: converged after 4 iterations. iteration 1926: trace = 2.39303944588754 (9.72951e-09% change) linmin: converged after 3 iterations. iteration 1927: trace = 2.393039445710361 (7.40394e-09% change) linmin: converged after 5 iterations. iteration 1928: trace = 2.393039445643736 (2.78411e-09% change) linmin: converged after 5 iterations. iteration 1929: trace = 2.393039445510909 (5.55054e-09% change) linmin: converged after 5 iterations. iteration 1930: trace = 2.393039445448921 (2.59037e-09% change) linmin: converged after 3 iterations. iteration 1931: trace = 2.393039445383455 (2.73568e-09% change) linmin: converged after 7 iterations. iteration 1932: trace = 2.393039445265108 (4.94545e-09% change) linmin: converged after 4 iterations. iteration 1933: trace = 2.393039445204703 (2.5242e-09% change) large trace change predicted (6.85489e-09%) linmin: converged after 4 iterations. iteration 1934: trace = 2.393039445040955 (6.84268e-09% change) linmin: converged after 9 iterations. iteration 1935: trace = 2.393039444780994 (1.08632e-08% change) linmin: converged after 15 iterations. iteration 1936: trace = 2.393039444628465 (6.37388e-09% change) large trace change predicted (2.51985e-08%) linmin: converged after 9 iterations. iteration 1937: trace = 2.39303944402551 (2.51962e-08% change) linmin: converged after 3 iterations. iteration 1938: trace = 2.393039443912818 (4.70914e-09% change) large trace change predicted (1.27572e-08%) linmin: converged after 3 iterations. iteration 1939: trace = 2.393039443607804 (1.27459e-08% change) linmin: converged after 9 iterations. iteration 1940: trace = 2.393039443377261 (9.63387e-09% change) linmin: converged after 4 iterations. iteration 1941: trace = 2.393039443293673 (3.49299e-09% change) large trace change predicted (9.05967e-09%) linmin: converged after 4 iterations. iteration 1942: trace = 2.39303944307701 (9.05387e-09% change) linmin: converged after 12 iterations. iteration 1943: trace = 2.393039443036209 (1.70499e-09% change) large trace change predicted (3.51877e-09%) linmin: converged after 6 iterations. iteration 1944: trace = 2.393039442951618 (3.53486e-09% change) linmin: converged after 4 iterations. iteration 1945: trace = 2.39303944288621 (2.73327e-09% change) linmin: converged after 3 iterations. iteration 1946: trace = 2.393039442848446 (1.57808e-09% change) large trace change predicted (4.29332e-09%) linmin: converged after 4 iterations. iteration 1947: trace = 2.393039442745376 (4.30707e-09% change) linmin: converged after 12 iterations. iteration 1948: trace = 2.393039442693334 (2.17472e-09% change) linmin: converged after 3 iterations. iteration 1949: trace = 2.393039442620927 (3.02573e-09% change) linmin: converged after 9 iterations. iteration 1950: trace = 2.393039442476341 (6.04194e-09% change) linmin: converged after 9 iterations. iteration 1951: trace = 2.393039442436673 (1.65763e-09% change) large trace change predicted (4.87469e-09%) linmin: converged after 4 iterations. iteration 1952: trace = 2.393039442320204 (4.86701e-09% change) linmin: converged after 4 iterations. iteration 1953: trace = 2.393039442258929 (2.56055e-09% change) large trace change predicted (6.13875e-09%) linmin: converged after 3 iterations. iteration 1954: trace = 2.393039442112094 (6.1359e-09% change) linmin: converged after 4 iterations. iteration 1955: trace = 2.393039441868849 (1.01647e-08% change) linmin: converged after 12 iterations. iteration 1956: trace = 2.393039441709076 (6.67659e-09% change) large trace change predicted (3.27133e-08%) linmin: converged after 3 iterations. iteration 1957: trace = 2.393039440926726 (3.26927e-08% change) linmin: converged after 18 iterations. iteration 1958: trace = 2.393039440677581 (1.04112e-08% change) large trace change predicted (7.17879e-08%) linmin: converged after 5 iterations. iteration 1959: trace = 2.39303943895953 (7.17937e-08% change) resetting CG direction... linmin: converged after 14 iterations. iteration 1960: trace = 2.393039438323334 (2.65853e-08% change) linmin: converged after 4 iterations. iteration 1961: trace = 2.393039437789052 (2.23265e-08% change) linmin: converged after 3 iterations. iteration 1962: trace = 2.39303943725397 (2.23599e-08% change) linmin: converged after 7 iterations. iteration 1963: trace = 2.393039437131799 (5.10527e-09% change) large trace change predicted (1.04084e-08%) linmin: converged after 3 iterations. iteration 1964: trace = 2.39303943688254 (1.0416e-08% change) linmin: converged after 3 iterations. iteration 1965: trace = 2.393039436760738 (5.08987e-09% change) linmin: converged after 6 iterations. iteration 1966: trace = 2.393039436709493 (2.14139e-09% change) linmin: converged after 4 iterations. iteration 1967: trace = 2.393039436637749 (2.99803e-09% change) linmin: converged after 5 iterations. iteration 1968: trace = 2.393039436599232 (1.60955e-09% change) linmin: converged after 4 iterations. iteration 1969: trace = 2.393039436576352 (9.56103e-10% change) large trace change predicted (2.35154e-09%) linmin: converged after 4 iterations. iteration 1970: trace = 2.393039436520354 (2.34003e-09% change) linmin: converged after 3 iterations. iteration 1971: trace = 2.393039436492496 (1.16413e-09% change) linmin: converged after 3 iterations. iteration 1972: trace = 2.393039436457791 (1.45027e-09% change) linmin: converged after 4 iterations. iteration 1973: trace = 2.393039436417563 (1.68102e-09% change) linmin: converged after 4 iterations. iteration 1974: trace = 2.393039436403412 (5.91373e-10% change) large trace change predicted (1.25697e-09%) linmin: converged after 3 iterations. iteration 1975: trace = 2.393039436373034 (1.26941e-09% change) linmin: converged after 3 iterations. iteration 1976: trace = 2.393039436328327 (1.86821e-09% change) linmin: converged after 3 iterations. iteration 1977: trace = 2.393039436305597 (9.4983e-10% change) large trace change predicted (3.66733e-09%) linmin: converged after 4 iterations. iteration 1978: trace = 2.393039436217674 (3.67413e-09% change) linmin: converged after 3 iterations. iteration 1979: trace = 2.393039436189774 (1.16586e-09% change) large trace change predicted (5.08872e-09%) linmin: converged after 4 iterations. iteration 1980: trace = 2.393039436067618 (5.10464e-09% change) linmin: converged after 9 iterations. iteration 1981: trace = 2.393039435981243 (3.60946e-09% change) linmin: converged after 13 iterations. iteration 1982: trace = 2.393039435894592 (3.62095e-09% change) large trace change predicted (7.30211e-09%) linmin: converged after 3 iterations. iteration 1983: trace = 2.393039435719951 (7.29788e-09% change) linmin: converged after 4 iterations. iteration 1984: trace = 2.393039435671572 (2.02166e-09% change) linmin: converged after 8 iterations. iteration 1985: trace = 2.393039435594718 (3.21153e-09% change) linmin: converged after 4 iterations. iteration 1986: trace = 2.393039435549982 (1.86945e-09% change) linmin: converged after 3 iterations. iteration 1987: trace = 2.393039435537185 (5.34754e-10% change) large trace change predicted (1.21466e-09%) linmin: converged after 4 iterations. iteration 1988: trace = 2.393039435508208 (1.2109e-09% change) linmin: converged after 4 iterations. iteration 1989: trace = 2.393039435492325 (6.63692e-10% change) linmin: converged after 5 iterations. iteration 1990: trace = 2.393039435475317 (7.10754e-10% change) large trace change predicted (2.0028e-09%) linmin: converged after 4 iterations. iteration 1991: trace = 2.393039435427377 (2.0033e-09% change) linmin: converged after 6 iterations. iteration 1992: trace = 2.393039435409912 (7.29831e-10% change) large trace change predicted (2.97063e-09%) linmin: converged after 4 iterations. iteration 1993: trace = 2.393039435338368 (2.98964e-09% change) linmin: converged after 4 iterations. iteration 1994: trace = 2.393039435310971 (1.14489e-09% change) linmin: converged after 4 iterations. iteration 1995: trace = 2.393039435265988 (1.87975e-09% change) linmin: converged after 3 iterations. iteration 1996: trace = 2.393039435217393 (2.03066e-09% change) linmin: converged after 4 iterations. iteration 1997: trace = 2.39303943519499 (9.36191e-10% change) large trace change predicted (3.3027e-09%) linmin: converged after 6 iterations. iteration 1998: trace = 2.393039435115994 (3.30105e-09% change) linmin: converged after 7 iterations. iteration 1999: trace = 2.393039435074365 (1.7396e-09% change) large trace change predicted (6.16853e-09%) linmin: converged after 6 iterations. iteration 2000: trace = 2.393039434926903 (6.16212e-09% change) linmin: converged after 4 iterations. iteration 2001: trace = 2.393039434880057 (1.9576e-09% change) linmin: converged after 4 iterations. iteration 2002: trace = 2.393039434814421 (2.74279e-09% change) linmin: converged after 4 iterations. iteration 2003: trace = 2.393039434763783 (2.11604e-09% change) linmin: converged after 4 iterations. iteration 2004: trace = 2.393039434744991 (7.85299e-10% change) large trace change predicted (1.63782e-09%) linmin: converged after 3 iterations. iteration 2005: trace = 2.393039434705584 (1.64672e-09% change) linmin: converged after 4 iterations. iteration 2006: trace = 2.393039434699242 (2.65002e-10% change) large trace change predicted (8.61629e-10%) linmin: converged after 3 iterations. iteration 2007: trace = 2.393039434679038 (8.44294e-10% change) linmin: converged after 4 iterations. iteration 2008: trace = 2.393039434675229 (1.59168e-10% change) large trace change predicted (5.14992e-10%) linmin: converged after 3 iterations. iteration 2009: trace = 2.393039434662688 (5.24046e-10% change) linmin: converged after 4 iterations. iteration 2010: trace = 2.393039434647076 (6.52427e-10% change) linmin: converged after 3 iterations. iteration 2011: trace = 2.393039434637269 (4.09788e-10% change) large trace change predicted (1.36503e-09%) linmin: converged after 3 iterations. iteration 2012: trace = 2.393039434604628 (1.364e-09% change) linmin: converged after 5 iterations. iteration 2013: trace = 2.393039434595156 (3.95814e-10% change) large trace change predicted (1.88283e-09%) linmin: converged after 3 iterations. iteration 2014: trace = 2.393039434550104 (1.88263e-09% change) linmin: converged after 5 iterations. iteration 2015: trace = 2.393039434523842 (1.09746e-09% change) linmin: converged after 6 iterations. iteration 2016: trace = 2.393039434486109 (1.57676e-09% change) linmin: converged after 3 iterations. iteration 2017: trace = 2.3930394344467 (1.64681e-09% change) linmin: converged after 9 iterations. iteration 2018: trace = 2.393039434423467 (9.70875e-10% change) linmin: converged after 4 iterations. iteration 2019: trace = 2.393039434378958 (1.85991e-09% change) linmin: converged after 5 iterations. iteration 2020: trace = 2.393039434370328 (3.60647e-10% change) large trace change predicted (1.14174e-09%) linmin: converged after 3 iterations. iteration 2021: trace = 2.393039434343038 (1.1404e-09% change) linmin: converged after 5 iterations. iteration 2022: trace = 2.393039434333263 (4.08451e-10% change) large trace change predicted (1.11508e-09%) linmin: converged after 4 iterations. iteration 2023: trace = 2.393039434306579 (1.1151e-09% change) linmin: converged after 3 iterations. iteration 2024: trace = 2.393039434291962 (6.10803e-10% change) linmin: converged after 3 iterations. iteration 2025: trace = 2.393039434276927 (6.28284e-10% change) linmin: converged after 4 iterations. iteration 2026: trace = 2.393039434252486 (1.02133e-09% change) linmin: converged after 3 iterations. iteration 2027: trace = 2.393039434245335 (2.98813e-10% change) large trace change predicted (6.67383e-10%) linmin: converged after 5 iterations. iteration 2028: trace = 2.393039434230231 (6.3116e-10% change) linmin: converged after 3 iterations. iteration 2029: trace = 2.393039434227043 (1.33225e-10% change) resetting CG direction... linmin: converged after 7 iterations. iteration 2030: trace = 2.393039434225272 (7.40075e-11% change) Finished solving for bands 2 to 10 after 2030 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 elapsed time for k point: 14.59436559677124 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.472606412328673 (8.48024% change) linmin: converged after 6 iterations. iteration 2: trace = 2.453425735718083 (0.778748% change) linmin: converged after 6 iterations. iteration 3: trace = 2.442844414785593 (0.43222% change) linmin: converged after 7 iterations. iteration 4: trace = 2.431161847827217 (0.479383% change) linmin: converged after 7 iterations. iteration 5: trace = 2.426060280234586 (0.210061% change) linmin: converged after 5 iterations. iteration 6: trace = 2.423173498768208 (0.119061% change) linmin: converged after 11 iterations. iteration 7: trace = 2.421004983712137 (0.0895308% change) linmin: converged after 4 iterations. iteration 8: trace = 2.419230595188513 (0.0733183% change) linmin: converged after 6 iterations. iteration 9: trace = 2.418879976299798 (0.014494% change) linmin: converged after 4 iterations. iteration 10: trace = 2.418217818337571 (0.0273783% change) linmin: converged after 4 iterations. iteration 11: trace = 2.417916624344721 (0.012456% change) linmin: converged after 4 iterations. iteration 12: trace = 2.417553425304854 (0.0150223% change) linmin: converged after 4 iterations. iteration 13: trace = 2.417324401496046 (0.00947382% change) linmin: converged after 3 iterations. iteration 14: trace = 2.417053485842457 (0.0112079% change) linmin: converged after 4 iterations. iteration 15: trace = 2.416983346628101 (0.00290189% change) large trace change predicted (0.00610734%) linmin: converged after 3 iterations. iteration 16: trace = 2.416834145661213 (0.00617321% change) linmin: converged after 4 iterations. iteration 17: trace = 2.416789900407536 (0.00183073% change) large trace change predicted (0.00505463%) linmin: converged after 3 iterations. iteration 18: trace = 2.416666953862918 (0.00508731% change) linmin: converged after 4 iterations. iteration 19: trace = 2.416616686541779 (0.00208005% change) linmin: converged after 3 iterations. iteration 20: trace = 2.416550546368013 (0.00273693% change) linmin: converged after 4 iterations. iteration 21: trace = 2.416470730039696 (0.00330296% change) linmin: converged after 3 iterations. iteration 22: trace = 2.4163914643744 (0.00328028% change) linmin: converged after 4 iterations. iteration 23: trace = 2.416340839231842 (0.00209509% change) linmin: converged after 3 iterations. iteration 24: trace = 2.416269506309811 (0.00295215% change) linmin: converged after 6 iterations. iteration 25: trace = 2.416222969393447 (0.001926% change) linmin: converged after 3 iterations. iteration 26: trace = 2.416194250937182 (0.00118858% change) large trace change predicted (0.0053049%) linmin: converged after 4 iterations. iteration 27: trace = 2.416065964814718 (0.00530957% change) linmin: converged after 3 iterations. iteration 28: trace = 2.416019766014298 (0.00191217% change) large trace change predicted (0.00450154%) linmin: converged after 4 iterations. iteration 29: trace = 2.415911184348753 (0.00449434% change) linmin: converged after 3 iterations. iteration 30: trace = 2.415826339470812 (0.00351198% change) linmin: converged after 3 iterations. iteration 31: trace = 2.41570604851085 (0.00497941% change) linmin: converged after 3 iterations. iteration 32: trace = 2.415628012647992 (0.00323041% change) large trace change predicted (0.0107003%) linmin: converged after 4 iterations. iteration 33: trace = 2.41537053690965 (0.0106593% change) linmin: converged after 3 iterations. iteration 34: trace = 2.415301753630072 (0.00284777% change) large trace change predicted (0.00887828%) linmin: converged after 4 iterations. iteration 35: trace = 2.415087793103613 (0.00885893% change) linmin: converged after 3 iterations. iteration 36: trace = 2.414996316466689 (0.00378779% change) linmin: converged after 3 iterations. iteration 37: trace = 2.414847805921248 (0.0061497% change) linmin: converged after 4 iterations. iteration 38: trace = 2.414719199013656 (0.00532582% change) linmin: converged after 4 iterations. iteration 39: trace = 2.414561302620633 (0.00653913% change) linmin: converged after 5 iterations. iteration 40: trace = 2.41448413781134 (0.00319586% change) linmin: converged after 4 iterations. iteration 41: trace = 2.414383115285119 (0.00418411% change) linmin: converged after 3 iterations. iteration 42: trace = 2.414348691663321 (0.00142578% change) linmin: converged after 4 iterations. iteration 43: trace = 2.414292775582494 (0.00231602% change) linmin: converged after 3 iterations. iteration 44: trace = 2.414262873465236 (0.00123855% change) linmin: converged after 4 iterations. iteration 45: trace = 2.414243309095757 (0.000810369% change) linmin: converged after 3 iterations. iteration 46: trace = 2.414222004518059 (0.000882458% change) linmin: converged after 4 iterations. iteration 47: trace = 2.41418937622007 (0.00135151% change) linmin: converged after 3 iterations. iteration 48: trace = 2.414175482017809 (0.000575524% change) large trace change predicted (0.00151722%) linmin: converged after 4 iterations. iteration 49: trace = 2.414139167146496 (0.00150425% change) linmin: converged after 3 iterations. iteration 50: trace = 2.414108647997533 (0.00126419% change) linmin: converged after 4 iterations. iteration 51: trace = 2.414084470600241 (0.00100151% change) linmin: converged after 3 iterations. iteration 52: trace = 2.414052008701353 (0.0013447% change) linmin: converged after 4 iterations. iteration 53: trace = 2.414006568578595 (0.00188234% change) linmin: converged after 3 iterations. iteration 54: trace = 2.413987583024687 (0.000786478% change) large trace change predicted (0.00171875%) linmin: converged after 4 iterations. iteration 55: trace = 2.41394637849652 (0.00170692% change) linmin: converged after 3 iterations. iteration 56: trace = 2.413918643338453 (0.00114896% change) linmin: converged after 6 iterations. iteration 57: trace = 2.413893202859717 (0.00105391% change) linmin: converged after 3 iterations. iteration 58: trace = 2.413859265637633 (0.00140592% change) linmin: converged after 4 iterations. iteration 59: trace = 2.413820630728176 (0.00160056% change) linmin: converged after 3 iterations. iteration 60: trace = 2.413793739214342 (0.00111407% change) linmin: converged after 4 iterations. iteration 61: trace = 2.413747575773504 (0.0019125% change) linmin: converged after 3 iterations. iteration 62: trace = 2.413717656691289 (0.00123954% change) linmin: converged after 4 iterations. iteration 63: trace = 2.413670794739782 (0.0019415% change) linmin: converged after 3 iterations. iteration 64: trace = 2.413608498811451 (0.002581% change) linmin: converged after 4 iterations. iteration 65: trace = 2.413550379958808 (0.00240799% change) linmin: converged after 4 iterations. iteration 66: trace = 2.413476905206978 (0.00304431% change) linmin: converged after 4 iterations. iteration 67: trace = 2.413393469715005 (0.00345713% change) linmin: converged after 3 iterations. iteration 68: trace = 2.413361590307507 (0.00132095% change) linmin: converged after 4 iterations. iteration 69: trace = 2.413309245029383 (0.002169% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.413292472384753 (0.000695008% change) linmin: converged after 3 iterations. iteration 71: trace = 2.413275763337027 (0.000692378% change) linmin: converged after 3 iterations. iteration 72: trace = 2.413247325367773 (0.0011784% change) linmin: converged after 5 iterations. iteration 73: trace = 2.41324098838247 (0.000262592% change) large trace change predicted (0.000686831%) linmin: converged after 3 iterations. iteration 74: trace = 2.413224390611433 (0.000687782% change) linmin: converged after 4 iterations. iteration 75: trace = 2.41321933697967 (0.000209414% change) linmin: converged after 3 iterations. iteration 76: trace = 2.413214508918284 (0.000200067% change) linmin: converged after 3 iterations. iteration 77: trace = 2.413206859948187 (0.000316962% change) linmin: converged after 3 iterations. iteration 78: trace = 2.413202709301081 (0.000171997% change) linmin: converged after 4 iterations. iteration 79: trace = 2.413195544942863 (0.000296882% change) large trace change predicted (0.000675767%) linmin: converged after 3 iterations. iteration 80: trace = 2.41317915913854 (0.000679011% change) linmin: converged after 3 iterations. iteration 81: trace = 2.413174521984215 (0.00019216% change) large trace change predicted (0.000670808%) linmin: converged after 3 iterations. iteration 82: trace = 2.413158321175334 (0.000671351% change) linmin: converged after 3 iterations. iteration 83: trace = 2.41313739852315 (0.000867027% change) linmin: converged after 6 iterations. iteration 84: trace = 2.413132084170826 (0.000220226% change) large trace change predicted (0.00137291%) linmin: converged after 4 iterations. iteration 85: trace = 2.413098630000145 (0.00138635% change) linmin: converged after 3 iterations. iteration 86: trace = 2.413088275807562 (0.000429084% change) linmin: converged after 3 iterations. iteration 87: trace = 2.413070019022158 (0.000756576% change) linmin: converged after 4 iterations. iteration 88: trace = 2.413059140351948 (0.000450824% change) linmin: converged after 3 iterations. iteration 89: trace = 2.413054828335151 (0.000178695% change) large trace change predicted (0.00037838%) linmin: converged after 3 iterations. iteration 90: trace = 2.413045686743834 (0.00037884% change) linmin: converged after 3 iterations. iteration 91: trace = 2.413029389278951 (0.000675392% change) linmin: converged after 4 iterations. iteration 92: trace = 2.413026337297859 (0.000126479% change) large trace change predicted (0.000680895%) linmin: converged after 4 iterations. iteration 93: trace = 2.413009863321784 (0.000682712% change) linmin: converged after 4 iterations. iteration 94: trace = 2.413004958688768 (0.000203258% change) linmin: converged after 3 iterations. iteration 95: trace = 2.413001010574182 (0.000163618% change) large trace change predicted (0.000575145%) linmin: converged after 3 iterations. iteration 96: trace = 2.41298711078796 (0.000576039% change) linmin: converged after 4 iterations. iteration 97: trace = 2.412981993123678 (0.000212089% change) linmin: converged after 26 iterations. iteration 98: trace = 2.412974960504182 (0.00029145% change) linmin: converged after 3 iterations. iteration 99: trace = 2.412971660124212 (0.000136776% change) linmin: converged after 5 iterations. iteration 100: trace = 2.412969726949497 (8.0116e-05% change) large trace change predicted (0.000185959%) linmin: converged after 4 iterations. iteration 101: trace = 2.412965239514389 (0.000185972% change) linmin: converged after 4 iterations. iteration 102: trace = 2.41295785452651 (0.000306055% change) linmin: converged after 3 iterations. iteration 103: trace = 2.412955647658458 (9.14591e-05% change) large trace change predicted (0.000451444%) linmin: converged after 4 iterations. iteration 104: trace = 2.412944804472996 (0.000449375% change) linmin: converged after 3 iterations. iteration 105: trace = 2.412939591976892 (0.000216022% change) large trace change predicted (0.000436704%) linmin: converged after 6 iterations. iteration 106: trace = 2.412929087882519 (0.000435325% change) linmin: converged after 5 iterations. iteration 107: trace = 2.412912388879401 (0.000692066% change) linmin: converged after 4 iterations. iteration 108: trace = 2.412882739501967 (0.00122879% change) linmin: converged after 4 iterations. iteration 109: trace = 2.412866277569273 (0.000682254% change) large trace change predicted (0.00140455%) linmin: converged after 4 iterations. iteration 110: trace = 2.412832877672352 (0.00138425% change) linmin: converged after 4 iterations. iteration 111: trace = 2.412826963363769 (0.000245119% change) linmin: converged after 6 iterations. iteration 112: trace = 2.412818882217 (0.000334925% change) linmin: converged after 4 iterations. iteration 113: trace = 2.412807741114174 (0.000461747% change) linmin: converged after 11 iterations. iteration 114: trace = 2.412803765774664 (0.00016476% change) linmin: converged after 7 iterations. iteration 115: trace = 2.412797334010174 (0.000266568% change) linmin: converged after 5 iterations. iteration 116: trace = 2.412796055157039 (5.30029e-05% change) large trace change predicted (0.000176584%) linmin: converged after 4 iterations. iteration 117: trace = 2.412791794264836 (0.000176596% change) linmin: converged after 20 iterations. iteration 118: trace = 2.412788959820339 (0.000117476% change) linmin: converged after 3 iterations. iteration 119: trace = 2.412787814829273 (4.74551e-05% change) large trace change predicted (0.000215307%) linmin: converged after 4 iterations. iteration 120: trace = 2.412782625139613 (0.000215091% change) linmin: converged after 8 iterations. iteration 121: trace = 2.412781615544021 (4.18436e-05% change) large trace change predicted (0.000159471%) linmin: converged after 8 iterations. iteration 122: trace = 2.412777772563147 (0.000159276% change) linmin: converged after 4 iterations. iteration 123: trace = 2.412776290475923 (6.14266e-05% change) linmin: converged after 4 iterations. iteration 124: trace = 2.412774825733703 (6.07078e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.412773093628529 (7.1789e-05% change) linmin: converged after 3 iterations. iteration 126: trace = 2.412772033403266 (4.39422e-05% change) large trace change predicted (0.000143911%) linmin: converged after 3 iterations. iteration 127: trace = 2.412768561234267 (0.000143908% change) linmin: converged after 3 iterations. iteration 128: trace = 2.412764332147253 (0.00017528% change) linmin: converged after 3 iterations. iteration 129: trace = 2.412762702402286 (6.75468e-05% change) large trace change predicted (0.000227105%) linmin: converged after 4 iterations. iteration 130: trace = 2.412757229053292 (0.00022685% change) linmin: converged after 3 iterations. iteration 131: trace = 2.412750308384217 (0.000286837% change) linmin: converged after 3 iterations. iteration 132: trace = 2.412744971597525 (0.000221191% change) large trace change predicted (0.000507211%) linmin: converged after 3 iterations. iteration 133: trace = 2.412732718407164 (0.000507854% change) linmin: converged after 7 iterations. iteration 134: trace = 2.412730962367456 (7.27822e-05% change) large trace change predicted (0.000324296%) linmin: converged after 3 iterations. iteration 135: trace = 2.412723129047391 (0.000324667% change) linmin: converged after 5 iterations. iteration 136: trace = 2.412721617793547 (6.26369e-05% change) linmin: converged after 3 iterations. iteration 137: trace = 2.412719162213405 (0.000101776% change) linmin: converged after 7 iterations. iteration 138: trace = 2.412714760983797 (0.000182418% change) linmin: converged after 4 iterations. iteration 139: trace = 2.412714244683772 (2.13991e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 2.412713795110151 (1.86335e-05% change) large trace change predicted (6.16566e-05%) linmin: converged after 3 iterations. iteration 141: trace = 2.412712306913474 (6.16815e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.412711752129087 (2.29942e-05% change) linmin: converged after 5 iterations. iteration 143: trace = 2.412711433445376 (1.32085e-05% change) large trace change predicted (3.65531e-05%) linmin: converged after 3 iterations. iteration 144: trace = 2.412710551332244 (3.65611e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.412710001332495 (2.27959e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.412709339104619 (2.74475e-05% change) linmin: converged after 7 iterations. iteration 147: trace = 2.412708015349657 (5.48659e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.412707735069079 (1.16168e-05% change) large trace change predicted (2.46166e-05%) linmin: converged after 5 iterations. iteration 149: trace = 2.412707141025387 (2.46215e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.41270611433174 (4.25536e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.41270579969158 (1.3041e-05% change) large trace change predicted (4.39304e-05%) linmin: converged after 4 iterations. iteration 152: trace = 2.412704738726644 (4.39741e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.41270404498078 (2.87539e-05% change) linmin: converged after 4 iterations. iteration 154: trace = 2.412703578379837 (1.93393e-05% change) large trace change predicted (3.8684e-05%) linmin: converged after 3 iterations. iteration 155: trace = 2.41270264429435 (3.87153e-05% change) linmin: converged after 4 iterations. iteration 156: trace = 2.41270138016885 (5.23946e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.412700869011127 (2.11861e-05% change) large trace change predicted (5.77342e-05%) linmin: converged after 4 iterations. iteration 158: trace = 2.412699474008117 (5.78192e-05% change) linmin: converged after 5 iterations. iteration 159: trace = 2.412698218657573 (5.2031e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 2.412697424328969 (3.29228e-05% change) linmin: converged after 3 iterations. iteration 161: trace = 2.412696294218674 (4.68401e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.412695413377431 (3.65086e-05% change) linmin: converged after 20 iterations. iteration 163: trace = 2.41269430997101 (4.57334e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.412693077402853 (5.10868e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.41269287994695 (8.18405e-06% change) linmin: converged after 3 iterations. iteration 166: trace = 2.412692605808744 (1.13623e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.412692078182679 (2.18688e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.412691978234893 (4.14258e-06% change) large trace change predicted (1.25531e-05%) linmin: converged after 4 iterations. iteration 169: trace = 2.412691675191595 (1.25604e-05% change) linmin: converged after 5 iterations. iteration 170: trace = 2.412691532278725 (5.92338e-06% change) linmin: converged after 5 iterations. iteration 171: trace = 2.412691333718024 (8.22984e-06% change) linmin: converged after 3 iterations. iteration 172: trace = 2.412691071224445 (1.08797e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.412690867505331 (8.44365e-06% change) large trace change predicted (1.92698e-05%) linmin: converged after 3 iterations. iteration 174: trace = 2.412690402508315 (1.9273e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.412689494445571 (3.76369e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.412689267131884 (9.42159e-06% change) large trace change predicted (2.9348e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.412688558739286 (2.93611e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.412688132027417 (1.76862e-05% change) linmin: converged after 4 iterations. iteration 179: trace = 2.412687768142828 (1.50821e-05% change) large trace change predicted (6.13005e-05%) linmin: converged after 5 iterations. iteration 180: trace = 2.412686288078712 (6.13451e-05% change) linmin: converged after 4 iterations. iteration 181: trace = 2.412685924160847 (1.50835e-05% change) large trace change predicted (4.49615e-05%) linmin: converged after 3 iterations. iteration 182: trace = 2.412684838840223 (4.49839e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.412683964333555 (3.62462e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.412683634762118 (1.366e-05% change) large trace change predicted (2.85959e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.412682944177038 (2.86231e-05% change) linmin: converged after 21 iterations. iteration 186: trace = 2.412682252171017 (2.8682e-05% change) linmin: converged after 5 iterations. iteration 187: trace = 2.412682009678486 (1.00507e-05% change) large trace change predicted (2.73274e-05%) linmin: converged after 4 iterations. iteration 188: trace = 2.412681350332888 (2.73283e-05% change) linmin: converged after 3 iterations. iteration 189: trace = 2.412681262096474 (3.65719e-06% change) linmin: converged after 3 iterations. iteration 190: trace = 2.412681134826438 (5.27505e-06% change) large trace change predicted (1.11392e-05%) linmin: converged after 5 iterations. iteration 191: trace = 2.412680866043328 (1.11404e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.4126808264136 (1.64256e-06% change) large trace change predicted (1.20563e-05%) linmin: converged after 7 iterations. iteration 193: trace = 2.41268053555182 (1.20555e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.412680402474456 (5.51575e-06% change) linmin: converged after 3 iterations. iteration 195: trace = 2.412680287998102 (4.74478e-06% change) large trace change predicted (1.8074e-05%) linmin: converged after 4 iterations. iteration 196: trace = 2.412679852029748 (1.80699e-05% change) linmin: converged after 3 iterations. iteration 197: trace = 2.412679516370597 (1.39123e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.412679155864843 (1.49421e-05% change) large trace change predicted (6.2203e-05%) linmin: converged after 4 iterations. iteration 199: trace = 2.412677654625708 (6.22229e-05% change) linmin: converged after 5 iterations. iteration 200: trace = 2.412677374183402 (1.16237e-05% change) large trace change predicted (5.1361e-05%) linmin: converged after 5 iterations. iteration 201: trace = 2.412676134604486 (5.13777e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.412675245015786 (3.68715e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.412674862142604 (1.58692e-05% change) large trace change predicted (5.06774e-05%) linmin: converged after 4 iterations. iteration 204: trace = 2.41267363934473 (5.06823e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.412673242942164 (1.643e-05% change) linmin: converged after 5 iterations. iteration 206: trace = 2.412672626171718 (2.55638e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.412672131228316 (2.05143e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.412671827786987 (1.2577e-05% change) large trace change predicted (3.40714e-05%) linmin: converged after 4 iterations. iteration 209: trace = 2.412671005801497 (3.40695e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.412670641830589 (1.50858e-05% change) linmin: converged after 5 iterations. iteration 211: trace = 2.412670529000208 (4.67658e-06% change) large trace change predicted (1.04561e-05%) linmin: converged after 4 iterations. iteration 212: trace = 2.412670276853772 (1.04509e-05% change) linmin: converged after 5 iterations. iteration 213: trace = 2.41267005892408 (9.03272e-06% change) linmin: converged after 4 iterations. iteration 214: trace = 2.412669942685584 (4.81784e-06% change) large trace change predicted (1.67786e-05%) linmin: converged after 3 iterations. iteration 215: trace = 2.412669537939716 (1.67759e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.41266945347015 (3.50108e-06% change) large trace change predicted (9.85233e-06%) linmin: converged after 4 iterations. iteration 217: trace = 2.412669215731066 (9.85378e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.412668921994908 (1.21747e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.41266883811821 (3.47651e-06% change) large trace change predicted (1.30474e-05%) linmin: converged after 4 iterations. iteration 220: trace = 2.412668523337981 (1.3047e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.412668223683091 (1.24201e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.412668113445152 (4.56913e-06% change) large trace change predicted (9.19443e-06%) linmin: converged after 3 iterations. iteration 223: trace = 2.412667891553012 (9.19696e-06% change) linmin: converged after 5 iterations. iteration 224: trace = 2.412667580826945 (1.28789e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.412667426254225 (6.40671e-06% change) large trace change predicted (1.78686e-05%) linmin: converged after 3 iterations. iteration 226: trace = 2.412666995135434 (1.7869e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.412666802715315 (7.97541e-06% change) linmin: converged after 3 iterations. iteration 228: trace = 2.412666435404577 (1.52243e-05% change) linmin: converged after 4 iterations. iteration 229: trace = 2.412666130700489 (1.26294e-05% change) linmin: converged after 4 iterations. iteration 230: trace = 2.412665877110246 (1.05108e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.412665382099508 (2.05172e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.412664783984475 (2.47906e-05% change) linmin: converged after 14 iterations. iteration 233: trace = 2.412664682683589 (4.19871e-06% change) linmin: converged after 3 iterations. iteration 234: trace = 2.412664481852494 (8.32404e-06% change) linmin: converged after 8 iterations. iteration 235: trace = 2.412664315383743 (6.89979e-06% change) linmin: converged after 2 iterations. iteration 236: trace = 2.412664250177639 (2.70266e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.412664169659182 (3.33733e-06% change) linmin: converged after 4 iterations. iteration 238: trace = 2.412664021244686 (6.15148e-06% change) linmin: converged after 3 iterations. iteration 239: trace = 2.412664001473559 (8.19473e-07% change) large trace change predicted (4.28054e-06%) linmin: converged after 28 iterations. iteration 240: trace = 2.412663898202072 (4.28039e-06% change) linmin: converged after 3 iterations. iteration 241: trace = 2.412663783452443 (4.75614e-06% change) linmin: converged after 3 iterations. iteration 242: trace = 2.412663731581536 (2.14994e-06% change) large trace change predicted (1.03009e-05%) linmin: converged after 5 iterations. iteration 243: trace = 2.412663483257846 (1.02925e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.412663197127385 (1.18595e-05% change) linmin: converged after 5 iterations. iteration 245: trace = 2.412662979195149 (9.03285e-06% change) linmin: converged after 5 iterations. iteration 246: trace = 2.412662720448691 (1.07245e-05% change) linmin: converged after 11 iterations. iteration 247: trace = 2.412662475665402 (1.01458e-05% change) linmin: converged after 5 iterations. iteration 248: trace = 2.412662231499839 (1.01202e-05% change) linmin: converged after 8 iterations. iteration 249: trace = 2.412661778846366 (1.87616e-05% change) linmin: converged after 4 iterations. iteration 250: trace = 2.412661646529992 (5.48425e-06% change) large trace change predicted (2.29079e-05%) linmin: converged after 6 iterations. iteration 251: trace = 2.412661094551263 (2.28784e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.41266045540582 (2.64913e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.412660330834369 (5.16324e-06% change) linmin: converged after 5 iterations. iteration 254: trace = 2.412660088017616 (1.00643e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.412659753374383 (1.38703e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.412659689278247 (2.65666e-06% change) large trace change predicted (1.06085e-05%) linmin: converged after 5 iterations. iteration 257: trace = 2.412659433394985 (1.06059e-05% change) linmin: converged after 3 iterations. iteration 258: trace = 2.41265939819889 (1.45881e-06% change) large trace change predicted (3.25859e-06%) linmin: converged after 2 iterations. iteration 259: trace = 2.412659319569637 (3.25903e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.412659193138797 (5.24031e-06% change) linmin: converged after 4 iterations. iteration 261: trace = 2.412659148262438 (1.86004e-06% change) large trace change predicted (4.57325e-06%) linmin: converged after 3 iterations. iteration 262: trace = 2.412659037928812 (4.57311e-06% change) large trace change predicted (9.99942e-06%) linmin: converged after 3 iterations. iteration 263: trace = 2.412658796722827 (9.99752e-06% change) linmin: converged after 2 iterations. iteration 264: trace = 2.412658738736654 (2.40341e-06% change) large trace change predicted (8.07785e-06%) linmin: converged after 2 iterations. iteration 265: trace = 2.412658543839925 (8.07809e-06% change) large trace change predicted (1.85307e-05%) linmin: converged after 3 iterations. iteration 266: trace = 2.412658096780619 (1.85297e-05% change) linmin: converged after 18 iterations. iteration 267: trace = 2.412658002593856 (3.90386e-06% change) large trace change predicted (3.77283e-05%) linmin: converged after 3 iterations. iteration 268: trace = 2.412657092188933 (3.77345e-05% change) linmin: converged after 4 iterations. iteration 269: trace = 2.412656429543355 (2.74654e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.41265589801858 (2.20307e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.412655358921608 (2.23445e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.412655030040948 (1.36315e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.412654517206331 (2.1256e-05% change) linmin: converged after 4 iterations. iteration 274: trace = 2.412654104258636 (1.71159e-05% change) linmin: converged after 2 iterations. iteration 275: trace = 2.412654008311804 (3.97682e-06% change) large trace change predicted (1.39559e-05%) linmin: converged after 4 iterations. iteration 276: trace = 2.412653671573064 (1.39572e-05% change) linmin: converged after 9 iterations. iteration 277: trace = 2.412653422875603 (1.0308e-05% change) linmin: converged after 16 iterations. iteration 278: trace = 2.41265322595961 (8.1618e-06% change) large trace change predicted (2.00162e-05%) linmin: converged after 3 iterations. iteration 279: trace = 2.412652742693363 (2.00305e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.412652499213283 (1.00918e-05% change) linmin: converged after 3 iterations. iteration 281: trace = 2.412652382534406 (4.83612e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.41265228025235 (4.2394e-06% change) linmin: converged after 5 iterations. iteration 283: trace = 2.412652203955211 (3.16238e-06% change) linmin: converged after 5 iterations. iteration 284: trace = 2.412652078604591 (5.19555e-06% change) linmin: converged after 3 iterations. iteration 285: trace = 2.412651897560381 (7.50395e-06% change) linmin: converged after 4 iterations. iteration 286: trace = 2.412651836057836 (2.54917e-06% change) large trace change predicted (1.09091e-05%) linmin: converged after 3 iterations. iteration 287: trace = 2.412651572821896 (1.09106e-05% change) linmin: converged after 5 iterations. iteration 288: trace = 2.412651365715245 (8.58419e-06% change) linmin: converged after 4 iterations. iteration 289: trace = 2.412651274368442 (3.78616e-06% change) large trace change predicted (2.32161e-05%) linmin: converged after 5 iterations. iteration 290: trace = 2.412650714164187 (2.32194e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.412650197980265 (2.13949e-05% change) linmin: converged after 14 iterations. iteration 292: trace = 2.412650023901272 (7.21526e-06% change) large trace change predicted (1.46825e-05%) linmin: converged after 7 iterations. iteration 293: trace = 2.412649669633992 (1.46837e-05% change) linmin: converged after 5 iterations. iteration 294: trace = 2.412649191611654 (1.98132e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.412649120212764 (2.95936e-06% change) large trace change predicted (1.45801e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.412648768393653 (1.45823e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.412648662526927 (4.38799e-06% change) linmin: converged after 4 iterations. iteration 298: trace = 2.412648519403908 (5.93219e-06% change) linmin: converged after 3 iterations. iteration 299: trace = 2.412648349644698 (7.03622e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.412648232842123 (4.84126e-06% change) linmin: converged after 4 iterations. iteration 301: trace = 2.41264816261973 (2.91059e-06% change) large trace change predicted (8.08228e-06%) linmin: converged after 4 iterations. iteration 302: trace = 2.412647967602745 (8.08311e-06% change) linmin: converged after 5 iterations. iteration 303: trace = 2.412647942028923 (1.05999e-06% change) large trace change predicted (6.21236e-06%) linmin: converged after 3 iterations. iteration 304: trace = 2.412647792118586 (6.21352e-06% change) linmin: converged after 2 iterations. iteration 305: trace = 2.412647732544191 (2.46925e-06% change) linmin: converged after 4 iterations. iteration 306: trace = 2.412647708180303 (1.00984e-06% change) large trace change predicted (5.58163e-06%) linmin: converged after 4 iterations. iteration 307: trace = 2.412647573474179 (5.58333e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.412647489905336 (3.46378e-06% change) linmin: converged after 3 iterations. iteration 309: trace = 2.412647457561911 (1.34058e-06% change) linmin: converged after 3 iterations. iteration 310: trace = 2.412647397836772 (2.4755e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.412647312244798 (3.54764e-06% change) linmin: converged after 4 iterations. iteration 312: trace = 2.412647275682161 (1.51546e-06% change) large trace change predicted (7.70898e-06%) linmin: converged after 4 iterations. iteration 313: trace = 2.412647089582336 (7.71351e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.412646991303354 (4.07349e-06% change) large trace change predicted (1.2663e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.412646685458969 (1.26767e-05% change) linmin: converged after 4 iterations. iteration 316: trace = 2.412646421520225 (1.09398e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.412646177249891 (1.01246e-05% change) linmin: converged after 4 iterations. iteration 318: trace = 2.412646105544004 (2.97208e-06% change) large trace change predicted (1.07857e-05%) linmin: converged after 3 iterations. iteration 319: trace = 2.412645845148307 (1.0793e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.412645805511652 (1.64287e-06% change) large trace change predicted (6.90953e-06%) linmin: converged after 3 iterations. iteration 321: trace = 2.412645638760237 (6.91156e-06% change) linmin: converged after 4 iterations. iteration 322: trace = 2.412645543881315 (3.93257e-06% change) linmin: converged after 4 iterations. iteration 323: trace = 2.412645505425639 (1.59392e-06% change) linmin: converged after 5 iterations. iteration 324: trace = 2.412645439333454 (2.73941e-06% change) linmin: converged after 3 iterations. iteration 325: trace = 2.412645350612028 (3.67735e-06% change) linmin: converged after 4 iterations. iteration 326: trace = 2.412645332911752 (7.33646e-07% change) large trace change predicted (4.13889e-06%) linmin: converged after 3 iterations. iteration 327: trace = 2.412645233040211 (4.1395e-06% change) linmin: converged after 14 iterations. iteration 328: trace = 2.412645203184484 (1.23747e-06% change) linmin: converged after 3 iterations. iteration 329: trace = 2.412645181289248 (9.0752e-07% change) large trace change predicted (2.92479e-06%) linmin: converged after 4 iterations. iteration 330: trace = 2.412645110725745 (2.92474e-06% change) linmin: converged after 2 iterations. iteration 331: trace = 2.412645079210439 (1.30626e-06% change) linmin: converged after 4 iterations. iteration 332: trace = 2.412645016555152 (2.59695e-06% change) linmin: converged after 5 iterations. iteration 333: trace = 2.412644934169797 (3.41473e-06% change) linmin: converged after 4 iterations. iteration 334: trace = 2.412644856765547 (3.20827e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.412644734871159 (5.05231e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.412644539766192 (8.08677e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.412644430541675 (4.52717e-06% change) large trace change predicted (1.24159e-05%) linmin: converged after 4 iterations. iteration 338: trace = 2.412644131023137 (1.24145e-05% change) linmin: converged after 5 iterations. iteration 339: trace = 2.412643882971502 (1.02813e-05% change) linmin: converged after 4 iterations. iteration 340: trace = 2.412643726380697 (6.49042e-06% change) linmin: converged after 3 iterations. iteration 341: trace = 2.412643540563209 (7.70182e-06% change) linmin: converged after 5 iterations. iteration 342: trace = 2.412643423179353 (4.86536e-06% change) linmin: converged after 4 iterations. iteration 343: trace = 2.412643334084952 (3.69281e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.412643171690913 (6.73096e-06% change) linmin: converged after 4 iterations. iteration 345: trace = 2.412643149287357 (9.2859e-07% change) large trace change predicted (2.85708e-06%) linmin: converged after 3 iterations. iteration 346: trace = 2.412643080367303 (2.85662e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.41264302505136 (2.29275e-06% change) linmin: converged after 3 iterations. iteration 348: trace = 2.412643004927425 (8.34103e-07% change) large trace change predicted (3.61792e-06%) linmin: converged after 3 iterations. iteration 349: trace = 2.412642917646239 (3.61766e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.412642859445579 (2.41232e-06% change) linmin: converged after 23 iterations. iteration 351: trace = 2.412642844813104 (6.06492e-07% change) large trace change predicted (1.70473e-06%) linmin: converged after 3 iterations. iteration 352: trace = 2.412642803688283 (1.70455e-06% change) linmin: converged after 6 iterations. iteration 353: trace = 2.412642759301845 (1.83974e-06% change) linmin: converged after 4 iterations. iteration 354: trace = 2.412642744248763 (6.23925e-07% change) large trace change predicted (4.72137e-06%) linmin: converged after 4 iterations. iteration 355: trace = 2.412642630332591 (4.72163e-06% change) linmin: converged after 3 iterations. iteration 356: trace = 2.412642589756975 (1.68179e-06% change) large trace change predicted (5.04259e-06%) linmin: converged after 3 iterations. iteration 357: trace = 2.412642468081529 (5.04324e-06% change) linmin: converged after 4 iterations. iteration 358: trace = 2.412642375922279 (3.81985e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.412642328216889 (1.97731e-06% change) large trace change predicted (9.25169e-06%) linmin: converged after 3 iterations. iteration 360: trace = 2.41264210501252 (9.25145e-06% change) linmin: converged after 25 iterations. iteration 361: trace = 2.41264190884885 (8.13066e-06% change) linmin: converged after 5 iterations. iteration 362: trace = 2.41264181472791 (3.90116e-06% change) linmin: converged after 3 iterations. iteration 363: trace = 2.412641643121817 (7.11279e-06% change) linmin: converged after 4 iterations. iteration 364: trace = 2.412641531498043 (4.62662e-06% change) linmin: converged after 2 iterations. iteration 365: trace = 2.412641483554933 (1.98716e-06% change) large trace change predicted (4.8557e-06%) linmin: converged after 3 iterations. iteration 366: trace = 2.412641366411219 (4.85541e-06% change) linmin: converged after 23 iterations. iteration 367: trace = 2.412641317770237 (2.01609e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.41264129264454 (1.04142e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.412641255843273 (1.52535e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.412641206702936 (2.03679e-06% change) linmin: converged after 5 iterations. iteration 371: trace = 2.412641193433993 (5.49976e-07% change) large trace change predicted (2.88416e-06%) linmin: converged after 12 iterations. iteration 372: trace = 2.412641123854957 (2.88394e-06% change) linmin: converged after 6 iterations. iteration 373: trace = 2.412641111673959 (5.04882e-07% change) large trace change predicted (2.18833e-06%) linmin: converged after 3 iterations. iteration 374: trace = 2.412641058883741 (2.18807e-06% change) linmin: converged after 2 iterations. iteration 375: trace = 2.412641021181182 (1.56271e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.412641007196029 (5.79662e-07% change) large trace change predicted (2.3571e-06%) linmin: converged after 3 iterations. iteration 377: trace = 2.412640950335902 (2.35676e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.412640872040208 (3.24523e-06% change) linmin: converged after 9 iterations. iteration 379: trace = 2.412640857046176 (6.21478e-07% change) large trace change predicted (4.68049e-06%) linmin: converged after 4 iterations. iteration 380: trace = 2.412640744163901 (4.67878e-06% change) linmin: converged after 4 iterations. iteration 381: trace = 2.412640680759552 (2.62801e-06% change) linmin: converged after 5 iterations. iteration 382: trace = 2.412640631533238 (2.04035e-06% change) large trace change predicted (1.0186e-05%) linmin: converged after 4 iterations. iteration 383: trace = 2.412640386046092 (1.0175e-05% change) linmin: converged after 4 iterations. iteration 384: trace = 2.41264017655295 (8.68315e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.412640111861084 (2.68137e-06% change) linmin: converged after 3 iterations. iteration 386: trace = 2.412640001020523 (4.59416e-06% change) linmin: converged after 4 iterations. iteration 387: trace = 2.412639906186659 (3.93071e-06% change) linmin: converged after 8 iterations. iteration 388: trace = 2.412639875163693 (1.28585e-06% change) large trace change predicted (3.61999e-06%) linmin: converged after 4 iterations. iteration 389: trace = 2.412639787843438 (3.61928e-06% change) linmin: converged after 4 iterations. iteration 390: trace = 2.412639730956203 (2.35788e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.412639697743978 (1.37659e-06% change) large trace change predicted (2.82443e-06%) linmin: converged after 3 iterations. iteration 392: trace = 2.412639629618678 (2.82368e-06% change) linmin: converged after 4 iterations. iteration 393: trace = 2.412639614807787 (6.13887e-07% change) large trace change predicted (1.80279e-06%) linmin: converged after 4 iterations. iteration 394: trace = 2.412639571322255 (1.8024e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.412639520785221 (2.09468e-06% change) linmin: converged after 4 iterations. iteration 396: trace = 2.412639509208852 (4.79822e-07% change) large trace change predicted (3.38565e-06%) linmin: converged after 8 iterations. iteration 397: trace = 2.412639427535376 (3.38523e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.412639395629452 (1.32245e-06% change) linmin: converged after 11 iterations. iteration 399: trace = 2.412639348248921 (1.96385e-06% change) linmin: converged after 3 iterations. iteration 400: trace = 2.412639294455711 (2.22964e-06% change) linmin: converged after 2 iterations. iteration 401: trace = 2.412639258035655 (1.50955e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.412639190554862 (2.79697e-06% change) linmin: converged after 20 iterations. iteration 403: trace = 2.41263905959015 (5.42828e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.412639025377223 (1.41807e-06% change) large trace change predicted (8.1116e-06%) linmin: converged after 3 iterations. iteration 405: trace = 2.412638829658797 (8.11221e-06% change) linmin: converged after 9 iterations. iteration 406: trace = 2.412638654950277 (7.24139e-06% change) linmin: converged after 3 iterations. iteration 407: trace = 2.412638598791363 (2.3277e-06% change) large trace change predicted (1.43761e-05%) linmin: converged after 5 iterations. iteration 408: trace = 2.412638251955339 (1.43758e-05% change) linmin: converged after 5 iterations. iteration 409: trace = 2.41263806804024 (7.62299e-06% change) linmin: converged after 4 iterations. iteration 410: trace = 2.412637954368074 (4.71153e-06% change) linmin: converged after 2 iterations. iteration 411: trace = 2.4126378702081 (3.4883e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.412637808358002 (2.56359e-06% change) linmin: converged after 11 iterations. iteration 413: trace = 2.412637747018324 (2.54243e-06% change) linmin: converged after 2 iterations. iteration 414: trace = 2.412637670086128 (3.18872e-06% change) linmin: converged after 2 iterations. iteration 415: trace = 2.41263763000963 (1.66111e-06% change) linmin: converged after 2 iterations. iteration 416: trace = 2.412637610893117 (7.92349e-07% change) large trace change predicted (1.72997e-06%) linmin: converged after 23 iterations. iteration 417: trace = 2.412637569153494 (1.73004e-06% change) linmin: converged after 4 iterations. iteration 418: trace = 2.412637520374493 (2.02181e-06% change) linmin: converged after 4 iterations. iteration 419: trace = 2.412637490056796 (1.25662e-06% change) resetting CG direction... linmin: converged after 37 iterations. iteration 420: trace = 2.412637461836419 (1.16969e-06% change) linmin: converged after 26 iterations. iteration 421: trace = 2.412637422063909 (1.64851e-06% change) linmin: converged after 10 iterations. iteration 422: trace = 2.412637385152995 (1.5299e-06% change) linmin: converged after 3 iterations. iteration 423: trace = 2.412637370796596 (5.9505e-07% change) large trace change predicted (1.80367e-06%) linmin: converged after 2 iterations. iteration 424: trace = 2.412637327279852 (1.8037e-06% change) linmin: converged after 3 iterations. iteration 425: trace = 2.412637258979955 (2.83092e-06% change) linmin: converged after 4 iterations. iteration 426: trace = 2.412637239659023 (8.00822e-07% change) large trace change predicted (3.59485e-06%) linmin: converged after 7 iterations. iteration 427: trace = 2.412637152925136 (3.59498e-06% change) linmin: converged after 3 iterations. iteration 428: trace = 2.412637091234963 (2.55696e-06% change) linmin: converged after 5 iterations. iteration 429: trace = 2.412637052961576 (1.58637e-06% change) large trace change predicted (8.00613e-06%) linmin: converged after 3 iterations. iteration 430: trace = 2.412636859775859 (8.00724e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.412636737527146 (5.06702e-06% change) linmin: converged after 5 iterations. iteration 432: trace = 2.412636571570054 (6.87866e-06% change) linmin: converged after 3 iterations. iteration 433: trace = 2.412636453794437 (4.88161e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.41263637227653 (3.37879e-06% change) linmin: converged after 4 iterations. iteration 435: trace = 2.412636272347467 (4.1419e-06% change) linmin: converged after 3 iterations. iteration 436: trace = 2.412636181631174 (3.76005e-06% change) linmin: converged after 3 iterations. iteration 437: trace = 2.412636132225534 (2.04779e-06% change) linmin: converged after 5 iterations. iteration 438: trace = 2.412636113738276 (7.66268e-07% change) linmin: converged after 5 iterations. iteration 439: trace = 2.412636076883901 (1.52756e-06% change) linmin: converged after 21 iterations. iteration 440: trace = 2.412636046674913 (1.25212e-06% change) linmin: converged after 25 iterations. iteration 441: trace = 2.412636033138629 (5.61058e-07% change) large trace change predicted (2.01909e-06%) linmin: converged after 3 iterations. iteration 442: trace = 2.412635984420391 (2.01929e-06% change) linmin: converged after 6 iterations. iteration 443: trace = 2.412635978767852 (2.34289e-07% change) large trace change predicted (1.72274e-06%) linmin: converged after 3 iterations. iteration 444: trace = 2.412635937196194 (1.72308e-06% change) linmin: converged after 3 iterations. iteration 445: trace = 2.41263591745279 (8.18333e-07% change) linmin: converged after 13 iterations. iteration 446: trace = 2.412635907137475 (4.27554e-07% change) large trace change predicted (1.84736e-06%) linmin: converged after 4 iterations. iteration 447: trace = 2.412635862549712 (1.84809e-06% change) linmin: converged after 3 iterations. iteration 448: trace = 2.412635846399404 (6.69405e-07% change) large trace change predicted (1.37742e-06%) linmin: converged after 6 iterations. iteration 449: trace = 2.412635813159552 (1.37774e-06% change) linmin: converged after 5 iterations. iteration 450: trace = 2.412635770365978 (1.77373e-06% change) linmin: converged after 2 iterations. iteration 451: trace = 2.412635750730444 (8.13862e-07% change) large trace change predicted (1.79047e-06%) linmin: converged after 5 iterations. iteration 452: trace = 2.412635707525042 (1.7908e-06% change) linmin: converged after 3 iterations. iteration 453: trace = 2.412635632280543 (3.11877e-06% change) linmin: converged after 2 iterations. iteration 454: trace = 2.412635606637174 (1.06288e-06% change) large trace change predicted (4.82637e-06%) linmin: converged after 3 iterations. iteration 455: trace = 2.41263549011407 (4.8297e-06% change) linmin: converged after 3 iterations. iteration 456: trace = 2.412635412984554 (3.1969e-06% change) linmin: converged after 5 iterations. iteration 457: trace = 2.412635330996352 (3.39828e-06% change) linmin: converged after 3 iterations. iteration 458: trace = 2.412635285448702 (1.88788e-06% change) linmin: converged after 4 iterations. iteration 459: trace = 2.412635209854777 (3.13325e-06% change) linmin: converged after 2 iterations. iteration 460: trace = 2.412635200585132 (3.84212e-07% change) large trace change predicted (1.50984e-06%) linmin: converged after 3 iterations. iteration 461: trace = 2.412635164153197 (1.51005e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.41263513479678 (1.21678e-06% change) linmin: converged after 2 iterations. iteration 463: trace = 2.412635126557433 (3.41508e-07% change) large trace change predicted (7.16386e-07%) linmin: converged after 2 iterations. iteration 464: trace = 2.412635109273548 (7.1639e-07% change) linmin: converged after 4 iterations. iteration 465: trace = 2.41263508246062 (1.11135e-06% change) linmin: converged after 2 iterations. iteration 466: trace = 2.412635075327449 (2.95659e-07% change) large trace change predicted (1.43069e-06%) linmin: converged after 3 iterations. iteration 467: trace = 2.412635040809578 (1.43071e-06% change) linmin: converged after 19 iterations. iteration 468: trace = 2.412635035295058 (2.28568e-07% change) large trace change predicted (6.50671e-07%) linmin: converged after 3 iterations. iteration 469: trace = 2.412635019596424 (6.50684e-07% change) linmin: converged after 3 iterations. iteration 470: trace = 2.412634992251697 (1.1334e-06% change) linmin: converged after 3 iterations. iteration 471: trace = 2.412634986950811 (2.19714e-07% change) large trace change predicted (1.39549e-06%) linmin: converged after 3 iterations. iteration 472: trace = 2.412634953285932 (1.39536e-06% change) linmin: converged after 6 iterations. iteration 473: trace = 2.412634914603901 (1.60331e-06% change) linmin: converged after 5 iterations. iteration 474: trace = 2.41263489795668 (6.90002e-07% change) large trace change predicted (2.33508e-06%) linmin: converged after 3 iterations. iteration 475: trace = 2.412634841612952 (2.33536e-06% change) linmin: converged after 5 iterations. iteration 476: trace = 2.412634784959861 (2.34818e-06% change) linmin: converged after 2 iterations. iteration 477: trace = 2.412634757823982 (1.12474e-06% change) large trace change predicted (4.58615e-06%) linmin: converged after 4 iterations. iteration 478: trace = 2.412634647181987 (4.58594e-06% change) linmin: converged after 4 iterations. iteration 479: trace = 2.41263460232079 (1.85943e-06% change) linmin: converged after 5 iterations. iteration 480: trace = 2.41263452617724 (3.15603e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.412634473371547 (2.18871e-06% change) linmin: converged after 19 iterations. iteration 482: trace = 2.412634433120973 (1.66832e-06% change) linmin: converged after 4 iterations. iteration 483: trace = 2.412634419686824 (5.56825e-07% change) large trace change predicted (1.73249e-06%) linmin: converged after 3 iterations. iteration 484: trace = 2.412634377890523 (1.73239e-06% change) linmin: converged after 5 iterations. iteration 485: trace = 2.412634372053955 (2.41917e-07% change) large trace change predicted (8.30937e-07%) linmin: converged after 16 iterations. iteration 486: trace = 2.412634352006608 (8.30932e-07% change) linmin: converged after 4 iterations. iteration 487: trace = 2.412634338410168 (5.63552e-07% change) linmin: converged after 33 iterations. iteration 488: trace = 2.412634332981738 (2.25e-07% change) large trace change predicted (7.47497e-07%) linmin: converged after 2 iterations. iteration 489: trace = 2.412634314947199 (7.47504e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.412634300150948 (6.13282e-07% change) linmin: converged after 6 iterations. iteration 491: trace = 2.412634295241867 (2.03474e-07% change) large trace change predicted (5.46002e-07%) linmin: converged after 4 iterations. iteration 492: trace = 2.412634282068757 (5.46005e-07% change) linmin: converged after 4 iterations. iteration 493: trace = 2.412634265485243 (6.87361e-07% change) linmin: converged after 3 iterations. iteration 494: trace = 2.412634260110126 (2.2279e-07% change) large trace change predicted (1.6288e-06%) linmin: converged after 2 iterations. iteration 495: trace = 2.412634220812826 (1.62881e-06% change) linmin: converged after 23 iterations. iteration 496: trace = 2.41263421181123 (3.73102e-07% change) large trace change predicted (9.92174e-07%) linmin: converged after 19 iterations. iteration 497: trace = 2.412634187873508 (9.92182e-07% change) large trace change predicted (2.26742e-06%) linmin: converged after 4 iterations. iteration 498: trace = 2.412634133169127 (2.26741e-06% change) linmin: converged after 3 iterations. iteration 499: trace = 2.412634119882701 (5.50702e-07% change) large trace change predicted (3.23838e-06%) linmin: converged after 5 iterations. iteration 500: trace = 2.412634041749078 (3.23852e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.412633963062304 (3.26145e-06% change) linmin: converged after 3 iterations. iteration 502: trace = 2.412633939997421 (9.56004e-07% change) linmin: converged after 3 iterations. iteration 503: trace = 2.41263389600519 (1.82341e-06% change) linmin: converged after 5 iterations. iteration 504: trace = 2.412633851756059 (1.83406e-06% change) linmin: converged after 3 iterations. iteration 505: trace = 2.412633836871628 (6.16937e-07% change) large trace change predicted (1.52743e-06%) linmin: converged after 3 iterations. iteration 506: trace = 2.41263380001807 (1.52752e-06% change) linmin: converged after 19 iterations. iteration 507: trace = 2.412633779144836 (8.65164e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.412633772650124 (2.69196e-07% change) linmin: converged after 3 iterations. iteration 509: trace = 2.41263376084543 (4.89287e-07% change) linmin: converged after 3 iterations. iteration 510: trace = 2.412633742575502 (7.57261e-07% change) linmin: converged after 3 iterations. iteration 511: trace = 2.412633738690095 (1.61044e-07% change) large trace change predicted (9.53845e-07%) linmin: converged after 8 iterations. iteration 512: trace = 2.412633715678568 (9.53793e-07% change) linmin: converged after 13 iterations. iteration 513: trace = 2.412633712018798 (1.51692e-07% change) large trace change predicted (7.4822e-07%) linmin: converged after 4 iterations. iteration 514: trace = 2.412633693968217 (7.48169e-07% change) linmin: converged after 2 iterations. iteration 515: trace = 2.412633677830488 (6.68884e-07% change) linmin: converged after 7 iterations. iteration 516: trace = 2.412633673498156 (1.79569e-07% change) large trace change predicted (9.78752e-07%) linmin: converged after 3 iterations. iteration 517: trace = 2.412633649886695 (9.78659e-07% change) linmin: converged after 4 iterations. iteration 518: trace = 2.412633624126148 (1.06774e-06% change) linmin: converged after 2 iterations. iteration 519: trace = 2.41263361841423 (2.3675e-07% change) large trace change predicted (1.47906e-06%) linmin: converged after 3 iterations. iteration 520: trace = 2.412633582735239 (1.47884e-06% change) linmin: converged after 7 iterations. iteration 521: trace = 2.412633546948009 (1.48333e-06% change) linmin: converged after 4 iterations. iteration 522: trace = 2.41263348544075 (2.54938e-06% change) linmin: converged after 12 iterations. iteration 523: trace = 2.412633439590564 (1.90042e-06% change) linmin: converged after 5 iterations. iteration 524: trace = 2.412633370423544 (2.86687e-06% change) linmin: converged after 3 iterations. iteration 525: trace = 2.412633347840773 (9.36022e-07% change) linmin: converged after 3 iterations. iteration 526: trace = 2.412633307955387 (1.65319e-06% change) linmin: converged after 3 iterations. iteration 527: trace = 2.412633273147848 (1.44272e-06% change) linmin: converged after 29 iterations. iteration 528: trace = 2.412633262489179 (4.41786e-07% change) large trace change predicted (1.30939e-06%) linmin: converged after 3 iterations. iteration 529: trace = 2.412633230905143 (1.30911e-06% change) linmin: converged after 3 iterations. iteration 530: trace = 2.412633206840749 (9.97433e-07% change) linmin: converged after 13 iterations. iteration 531: trace = 2.412633200936574 (2.44719e-07% change) large trace change predicted (1.05694e-06%) linmin: converged after 3 iterations. iteration 532: trace = 2.412633175442258 (1.0567e-06% change) linmin: converged after 10 iterations. iteration 533: trace = 2.412633168222967 (2.99229e-07% change) linmin: converged after 3 iterations. iteration 534: trace = 2.412633158476981 (4.03956e-07% change) large trace change predicted (9.6653e-07%) linmin: converged after 4 iterations. iteration 535: trace = 2.412633135161465 (9.66393e-07% change) linmin: converged after 4 iterations. iteration 536: trace = 2.41263312653655 (3.5749e-07% change) large trace change predicted (7.73713e-07%) linmin: converged after 4 iterations. iteration 537: trace = 2.412633107870155 (7.73694e-07% change) linmin: converged after 4 iterations. iteration 538: trace = 2.412633097143944 (4.44585e-07% change) linmin: converged after 4 iterations. iteration 539: trace = 2.412633087428071 (4.02708e-07% change) large trace change predicted (9.79657e-07%) linmin: converged after 6 iterations. iteration 540: trace = 2.412633063790916 (9.79724e-07% change) linmin: converged after 3 iterations. iteration 541: trace = 2.412633039678841 (9.99409e-07% change) linmin: converged after 2 iterations. iteration 542: trace = 2.41263302600683 (5.66684e-07% change) large trace change predicted (1.72997e-06%) linmin: converged after 3 iterations. iteration 543: trace = 2.412632984268974 (1.72997e-06% change) linmin: converged after 9 iterations. iteration 544: trace = 2.412632956748031 (1.1407e-06% change) linmin: converged after 16 iterations. iteration 545: trace = 2.4126329182803 (1.59443e-06% change) linmin: converged after 3 iterations. iteration 546: trace = 2.412632854540752 (2.64191e-06% change) linmin: converged after 2 iterations. iteration 547: trace = 2.412632806870938 (1.97584e-06% change) large trace change predicted (3.95876e-06%) linmin: converged after 3 iterations. iteration 548: trace = 2.4126327113534 (3.95906e-06% change) linmin: converged after 3 iterations. iteration 549: trace = 2.412632631852261 (3.2952e-06% change) linmin: converged after 4 iterations. iteration 550: trace = 2.412632613196227 (7.73265e-07% change) linmin: converged after 2 iterations. iteration 551: trace = 2.412632585585498 (1.14442e-06% change) linmin: converged after 3 iterations. iteration 552: trace = 2.412632559925147 (1.06358e-06% change) linmin: converged after 5 iterations. iteration 553: trace = 2.412632549432359 (4.3491e-07% change) large trace change predicted (1.0846e-06%) linmin: converged after 2 iterations. iteration 554: trace = 2.412632523264577 (1.08462e-06% change) linmin: converged after 4 iterations. iteration 555: trace = 2.412632509436549 (5.73151e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.412632503266173 (2.55753e-07% change) large trace change predicted (5.80132e-07%) linmin: converged after 3 iterations. iteration 557: trace = 2.412632489269159 (5.80155e-07% change) linmin: converged after 3 iterations. iteration 558: trace = 2.412632477608584 (4.83313e-07% change) linmin: converged after 2 iterations. iteration 559: trace = 2.412632465379013 (5.06897e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.41263245369378 (4.84335e-07% change) linmin: converged after 30 iterations. iteration 561: trace = 2.41263244335804 (4.28401e-07% change) linmin: converged after 4 iterations. iteration 562: trace = 2.412632430232763 (5.44023e-07% change) linmin: converged after 3 iterations. iteration 563: trace = 2.412632423731303 (2.69476e-07% change) linmin: converged after 3 iterations. iteration 564: trace = 2.412632410743588 (5.38321e-07% change) linmin: converged after 2 iterations. iteration 565: trace = 2.41263238748334 (9.64102e-07% change) linmin: converged after 6 iterations. iteration 566: trace = 2.412632377969501 (3.94334e-07% change) large trace change predicted (8.43205e-07%) linmin: converged after 8 iterations. iteration 567: trace = 2.412632357625399 (8.43233e-07% change) linmin: converged after 4 iterations. iteration 568: trace = 2.412632330923643 (1.10675e-06% change) linmin: converged after 3 iterations. iteration 569: trace = 2.412632316919374 (5.80456e-07% change) large trace change predicted (2.65367e-06%) linmin: converged after 3 iterations. iteration 570: trace = 2.412632252898448 (2.65357e-06% change) linmin: converged after 2 iterations. iteration 571: trace = 2.412632189217207 (2.63949e-06% change) linmin: converged after 4 iterations. iteration 572: trace = 2.412632144336174 (1.86025e-06% change) linmin: converged after 4 iterations. iteration 573: trace = 2.412632097787958 (1.92935e-06% change) linmin: converged after 3 iterations. iteration 574: trace = 2.412632061401309 (1.50817e-06% change) linmin: converged after 4 iterations. iteration 575: trace = 2.412632048557409 (5.32361e-07% change) large trace change predicted (1.14498e-06%) linmin: converged after 5 iterations. iteration 576: trace = 2.412632020932712 (1.145e-06% change) linmin: converged after 3 iterations. iteration 577: trace = 2.412632011126674 (4.06446e-07% change) linmin: converged after 2 iterations. iteration 578: trace = 2.412631995874579 (6.32177e-07% change) linmin: converged after 4 iterations. iteration 579: trace = 2.41263197896067 (7.01056e-07% change) linmin: converged after 3 iterations. iteration 580: trace = 2.412631973942156 (2.0801e-07% change) linmin: converged after 7 iterations. iteration 581: trace = 2.412631968292681 (2.34162e-07% change) large trace change predicted (6.12867e-07%) linmin: converged after 3 iterations. iteration 582: trace = 2.412631953505372 (6.12912e-07% change) linmin: converged after 31 iterations. iteration 583: trace = 2.412631950336109 (1.31361e-07% change) large trace change predicted (5.99932e-07%) linmin: converged after 4 iterations. iteration 584: trace = 2.412631935859884 (6.00018e-07% change) linmin: converged after 15 iterations. iteration 585: trace = 2.41263192768191 (3.38965e-07% change) linmin: converged after 7 iterations. iteration 586: trace = 2.412631922863373 (1.99721e-07% change) large trace change predicted (5.84064e-07%) linmin: converged after 3 iterations. iteration 587: trace = 2.412631908769953 (5.84151e-07% change) linmin: converged after 3 iterations. iteration 588: trace = 2.41263189445185 (5.93464e-07% change) linmin: converged after 3 iterations. iteration 589: trace = 2.412631889210663 (2.17239e-07% change) large trace change predicted (7.96732e-07%) linmin: converged after 3 iterations. iteration 590: trace = 2.412631869986904 (7.96796e-07% change) linmin: converged after 3 iterations. iteration 591: trace = 2.41263185711967 (5.33328e-07% change) linmin: converged after 3 iterations. iteration 592: trace = 2.412631847821285 (3.85404e-07% change) large trace change predicted (1.10194e-06%) linmin: converged after 4 iterations. iteration 593: trace = 2.412631821232198 (1.10208e-06% change) linmin: converged after 4 iterations. iteration 594: trace = 2.412631786206274 (1.45177e-06% change) linmin: converged after 3 iterations. iteration 595: trace = 2.41263176985648 (6.77675e-07% change) large trace change predicted (2.22662e-06%) linmin: converged after 3 iterations. iteration 596: trace = 2.412631716096847 (2.22826e-06% change) linmin: converged after 3 iterations. iteration 597: trace = 2.412631703763633 (5.11193e-07% change) linmin: converged after 4 iterations. iteration 598: trace = 2.412631694597279 (3.79932e-07% change) large trace change predicted (1.057e-06%) linmin: converged after 5 iterations. iteration 599: trace = 2.412631669090178 (1.05723e-06% change) linmin: converged after 24 iterations. iteration 600: trace = 2.412631666577382 (1.04152e-07% change) large trace change predicted (6.32033e-07%) linmin: converged after 3 iterations. iteration 601: trace = 2.412631651327268 (6.32095e-07% change) linmin: converged after 12 iterations. iteration 602: trace = 2.412631642500072 (3.65874e-07% change) linmin: converged after 10 iterations. iteration 603: trace = 2.412631639502962 (1.24226e-07% change) large trace change predicted (2.7101e-07%) linmin: converged after 2 iterations. iteration 604: trace = 2.412631632964456 (2.71011e-07% change) linmin: converged after 31 iterations. iteration 605: trace = 2.412631623224284 (4.03716e-07% change) linmin: converged after 10 iterations. iteration 606: trace = 2.412631621437908 (7.40426e-08% change) large trace change predicted (4.79149e-07%) linmin: converged after 16 iterations. iteration 607: trace = 2.412631609877675 (4.79154e-07% change) linmin: converged after 19 iterations. iteration 608: trace = 2.412631605161407 (1.95482e-07% change) linmin: converged after 25 iterations. iteration 609: trace = 2.412631599555391 (2.32361e-07% change) linmin: converged after 6 iterations. iteration 610: trace = 2.412631593178603 (2.64308e-07% change) linmin: converged after 3 iterations. iteration 611: trace = 2.41263158701481 (2.5548e-07% change) linmin: converged after 33 iterations. iteration 612: trace = 2.41263157963608 (3.05837e-07% change) large trace change predicted (6.98035e-07%) linmin: converged after 6 iterations. iteration 613: trace = 2.412631562796769 (6.97964e-07% change) linmin: converged after 17 iterations. iteration 614: trace = 2.412631553718684 (3.76273e-07% change) linmin: converged after 8 iterations. iteration 615: trace = 2.412631539941835 (5.7103e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.412631517181493 (9.43382e-07% change) linmin: converged after 28 iterations. iteration 617: trace = 2.41263150355989 (5.64595e-07% change) large trace change predicted (1.18514e-06%) linmin: converged after 4 iterations. iteration 618: trace = 2.412631474967517 (1.18511e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.412631442270336 (1.35525e-06% change) linmin: converged after 2 iterations. iteration 620: trace = 2.412631435127363 (2.96066e-07% change) large trace change predicted (1.13257e-06%) linmin: converged after 3 iterations. iteration 621: trace = 2.412631407804125 (1.13251e-06% change) linmin: converged after 6 iterations. iteration 622: trace = 2.412631401965749 (2.41992e-07% change) linmin: converged after 3 iterations. iteration 623: trace = 2.412631397521911 (1.84191e-07% change) large trace change predicted (5.10997e-07%) linmin: converged after 3 iterations. iteration 624: trace = 2.412631385193774 (5.10983e-07% change) linmin: converged after 3 iterations. iteration 625: trace = 2.412631378770197 (2.66248e-07% change) linmin: converged after 4 iterations. iteration 626: trace = 2.41263137484718 (1.62603e-07% change) linmin: converged after 11 iterations. iteration 627: trace = 2.412631370814226 (1.6716e-07% change) linmin: converged after 35 iterations. iteration 628: trace = 2.412631366116999 (1.94693e-07% change) linmin: converged after 16 iterations. iteration 629: trace = 2.412631356821822 (3.85271e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 630: trace = 2.412631348575617 (3.41793e-07% change) linmin: converged after 14 iterations. iteration 631: trace = 2.412631344775499 (1.57509e-07% change) linmin: converged after 14 iterations. iteration 632: trace = 2.41263134037631 (1.8234e-07% change) linmin: converged after 24 iterations. iteration 633: trace = 2.412631337019239 (1.39146e-07% change) linmin: converged after 3 iterations. iteration 634: trace = 2.412631331932099 (2.10854e-07% change) large trace change predicted (4.35955e-07%) linmin: converged after 2 iterations. iteration 635: trace = 2.412631321414021 (4.35959e-07% change) linmin: converged after 4 iterations. iteration 636: trace = 2.412631318506287 (1.20521e-07% change) linmin: converged after 4 iterations. iteration 637: trace = 2.412631312746789 (2.38723e-07% change) large trace change predicted (7.69623e-07%) linmin: converged after 5 iterations. iteration 638: trace = 2.412631294178333 (7.69635e-07% change) linmin: converged after 3 iterations. iteration 639: trace = 2.412631291034589 (1.30304e-07% change) large trace change predicted (1.09448e-06%) linmin: converged after 3 iterations. iteration 640: trace = 2.412631264628368 (1.0945e-06% change) linmin: converged after 3 iterations. iteration 641: trace = 2.41263124912147 (6.42738e-07% change) linmin: converged after 2 iterations. iteration 642: trace = 2.412631239439007 (4.01324e-07% change) large trace change predicted (9.91288e-07%) linmin: converged after 2 iterations. iteration 643: trace = 2.412631215522822 (9.91291e-07% change) linmin: converged after 18 iterations. iteration 644: trace = 2.412631200366761 (6.28196e-07% change) linmin: converged after 4 iterations. iteration 645: trace = 2.412631192481276 (3.26842e-07% change) large trace change predicted (7.02471e-07%) linmin: converged after 6 iterations. iteration 646: trace = 2.412631175532277 (7.02511e-07% change) linmin: converged after 4 iterations. iteration 647: trace = 2.412631168356966 (2.97406e-07% change) linmin: converged after 20 iterations. iteration 648: trace = 2.412631164524544 (1.58848e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.412631160092022 (1.83721e-07% change) linmin: converged after 4 iterations. iteration 650: trace = 2.412631156216765 (1.60624e-07% change) linmin: converged after 13 iterations. iteration 651: trace = 2.412631151694931 (1.87423e-07% change) linmin: converged after 3 iterations. iteration 652: trace = 2.412631144549845 (2.96153e-07% change) linmin: converged after 21 iterations. iteration 653: trace = 2.412631142902795 (6.82678e-08% change) large trace change predicted (1.86389e-07%) linmin: converged after 3 iterations. iteration 654: trace = 2.412631138406192 (1.86378e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.412631130435484 (3.30374e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.41263112839775 (8.4461e-08% change) large trace change predicted (2.72789e-07%) linmin: converged after 4 iterations. iteration 657: trace = 2.412631121816636 (2.72777e-07% change) linmin: converged after 4 iterations. iteration 658: trace = 2.412631111959638 (4.08558e-07% change) linmin: converged after 27 iterations. iteration 659: trace = 2.412631109871882 (8.65344e-08% change) large trace change predicted (4.30123e-07%) linmin: converged after 5 iterations. iteration 660: trace = 2.412631099495444 (4.30088e-07% change) linmin: converged after 4 iterations. iteration 661: trace = 2.412631088750692 (4.45354e-07% change) linmin: converged after 3 iterations. iteration 662: trace = 2.412631085005991 (1.55212e-07% change) large trace change predicted (1.39051e-06%) linmin: converged after 3 iterations. iteration 663: trace = 2.412631051470876 (1.38998e-06% change) linmin: converged after 8 iterations. iteration 664: trace = 2.412631044534053 (2.87521e-07% change) large trace change predicted (1.23614e-06%) linmin: converged after 4 iterations. iteration 665: trace = 2.412631014718941 (1.23579e-06% change) linmin: converged after 3 iterations. iteration 666: trace = 2.41263100083395 (5.75512e-07% change) linmin: converged after 3 iterations. iteration 667: trace = 2.412630991920331 (3.69456e-07% change) linmin: converged after 3 iterations. iteration 668: trace = 2.412630983382888 (3.53864e-07% change) linmin: converged after 3 iterations. iteration 669: trace = 2.412630972064142 (4.69145e-07% change) linmin: converged after 4 iterations. iteration 670: trace = 2.412630969681539 (9.87554e-08% change) large trace change predicted (5.38462e-07%) linmin: converged after 3 iterations. iteration 671: trace = 2.412630956692355 (5.38383e-07% change) linmin: converged after 4 iterations. iteration 672: trace = 2.412630950687375 (2.48898e-07% change) linmin: converged after 3 iterations. iteration 673: trace = 2.412630946401386 (1.77648e-07% change) linmin: converged after 9 iterations. iteration 674: trace = 2.41263094178895 (1.91179e-07% change) linmin: converged after 24 iterations. iteration 675: trace = 2.412630934478377 (3.03012e-07% change) linmin: converged after 4 iterations. iteration 676: trace = 2.412630933127947 (5.59733e-08% change) large trace change predicted (3.44664e-07%) linmin: converged after 6 iterations. iteration 677: trace = 2.412630924812629 (3.44658e-07% change) linmin: converged after 7 iterations. iteration 678: trace = 2.412630919927929 (2.02464e-07% change) linmin: converged after 3 iterations. iteration 679: trace = 2.41263091635969 (1.47898e-07% change) linmin: converged after 23 iterations. iteration 680: trace = 2.412630910426177 (2.45935e-07% change) linmin: converged after 24 iterations. iteration 681: trace = 2.412630901972597 (3.50388e-07% change) linmin: converged after 3 iterations. iteration 682: trace = 2.412630897961046 (1.66273e-07% change) large trace change predicted (5.35305e-07%) linmin: converged after 3 iterations. iteration 683: trace = 2.412630885046321 (5.35296e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.412630878513609 (2.70771e-07% change) large trace change predicted (9.49463e-07%) linmin: converged after 18 iterations. iteration 685: trace = 2.412630855606361 (9.49472e-07% change) linmin: converged after 19 iterations. iteration 686: trace = 2.412630840618719 (6.21216e-07% change) linmin: converged after 3 iterations. iteration 687: trace = 2.412630829084438 (4.78079e-07% change) large trace change predicted (1.5255e-06%) linmin: converged after 4 iterations. iteration 688: trace = 2.412630792274733 (1.52571e-06% change) linmin: converged after 16 iterations. iteration 689: trace = 2.412630775594847 (6.91357e-07% change) linmin: converged after 27 iterations. iteration 690: trace = 2.412630758540615 (7.06873e-07% change) linmin: converged after 5 iterations. iteration 691: trace = 2.412630748164281 (4.30084e-07% change) linmin: converged after 20 iterations. iteration 692: trace = 2.412630739295457 (3.676e-07% change) linmin: converged after 12 iterations. iteration 693: trace = 2.412630734745228 (1.886e-07% change) linmin: converged after 24 iterations. iteration 694: trace = 2.412630725898428 (3.66687e-07% change) linmin: converged after 2 iterations. iteration 695: trace = 2.412630722953378 (1.22068e-07% change) linmin: converged after 3 iterations. iteration 696: trace = 2.412630717528356 (2.24859e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.412630712908632 (1.91481e-07% change) linmin: converged after 3 iterations. iteration 698: trace = 2.412630708134426 (1.97884e-07% change) linmin: converged after 19 iterations. iteration 699: trace = 2.412630705452566 (1.11159e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.412630702900199 (1.05792e-07% change) linmin: converged after 7 iterations. iteration 701: trace = 2.412630698721329 (1.73208e-07% change) linmin: converged after 7 iterations. iteration 702: trace = 2.412630694195756 (1.87578e-07% change) linmin: converged after 20 iterations. iteration 703: trace = 2.412630691729648 (1.02217e-07% change) large trace change predicted (2.11554e-07%) linmin: converged after 3 iterations. iteration 704: trace = 2.412630686625747 (2.11549e-07% change) linmin: converged after 3 iterations. iteration 705: trace = 2.412630679417385 (2.98776e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.412630676464367 (1.22398e-07% change) large trace change predicted (3.35451e-07%) linmin: converged after 15 iterations. iteration 707: trace = 2.412630668371055 (3.35456e-07% change) linmin: converged after 26 iterations. iteration 708: trace = 2.412630660066947 (3.44193e-07% change) linmin: converged after 21 iterations. iteration 709: trace = 2.412630655300423 (1.97565e-07% change) large trace change predicted (9.85635e-07%) linmin: converged after 5 iterations. iteration 710: trace = 2.412630631521224 (9.85613e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.412630608200811 (9.66597e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.412630595400104 (5.30571e-07% change) linmin: converged after 5 iterations. iteration 713: trace = 2.412630583487556 (4.93758e-07% change) linmin: converged after 21 iterations. iteration 714: trace = 2.412630570397255 (5.42574e-07% change) linmin: converged after 2 iterations. iteration 715: trace = 2.412630561316741 (3.76374e-07% change) linmin: converged after 3 iterations. iteration 716: trace = 2.412630551927635 (3.89165e-07% change) linmin: converged after 10 iterations. iteration 717: trace = 2.412630549969792 (8.11497e-08% change) large trace change predicted (2.62939e-07%) linmin: converged after 3 iterations. iteration 718: trace = 2.412630543625931 (2.62944e-07% change) linmin: converged after 7 iterations. iteration 719: trace = 2.41263053932054 (1.78452e-07% change) linmin: converged after 4 iterations. iteration 720: trace = 2.412630537377462 (8.05377e-08% change) linmin: converged after 7 iterations. iteration 721: trace = 2.412630534065912 (1.37259e-07% change) linmin: converged after 4 iterations. iteration 722: trace = 2.412630529173448 (2.02785e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.412630527477726 (7.02852e-08% change) large trace change predicted (1.68396e-07%) linmin: converged after 19 iterations. iteration 724: trace = 2.412630523414882 (1.68399e-07% change) linmin: converged after 5 iterations. iteration 725: trace = 2.412630520770119 (1.09622e-07% change) linmin: converged after 6 iterations. iteration 726: trace = 2.412630519124897 (6.8192e-08% change) large trace change predicted (2.48063e-07%) linmin: converged after 17 iterations. iteration 727: trace = 2.412630513139425 (2.48089e-07% change) linmin: converged after 3 iterations. iteration 728: trace = 2.412630511876392 (5.23509e-08% change) large trace change predicted (2.20921e-07%) linmin: converged after 3 iterations. iteration 729: trace = 2.412630506545948 (2.20939e-07% change) linmin: converged after 3 iterations. iteration 730: trace = 2.412630500855044 (2.3588e-07% change) linmin: converged after 9 iterations. iteration 731: trace = 2.412630493746356 (2.94645e-07% change) linmin: converged after 3 iterations. iteration 732: trace = 2.412630490600628 (1.30386e-07% change) large trace change predicted (3.55075e-07%) linmin: converged after 15 iterations. iteration 733: trace = 2.412630482033123 (3.55111e-07% change) linmin: converged after 6 iterations. iteration 734: trace = 2.412630467997332 (5.81763e-07% change) linmin: converged after 13 iterations. iteration 735: trace = 2.412630461475286 (2.70329e-07% change) large trace change predicted (8.04978e-07%) linmin: converged after 5 iterations. iteration 736: trace = 2.412630442046265 (8.05304e-07% change) linmin: converged after 6 iterations. iteration 737: trace = 2.412630438149124 (1.61531e-07% change) linmin: converged after 28 iterations. iteration 738: trace = 2.412630434604044 (1.46938e-07% change) large trace change predicted (3.61263e-07%) linmin: converged after 5 iterations. iteration 739: trace = 2.412630425887123 (3.61304e-07% change) linmin: converged after 22 iterations. iteration 740: trace = 2.412630424476987 (5.84481e-08% change) large trace change predicted (1.66958e-07%) linmin: converged after 23 iterations. iteration 741: trace = 2.412630420448752 (1.66964e-07% change) linmin: converged after 23 iterations. iteration 742: trace = 2.412630416581729 (1.60282e-07% change) linmin: converged after 3 iterations. iteration 743: trace = 2.412630415566934 (4.20618e-08% change) large trace change predicted (9.5054e-08%) linmin: converged after 26 iterations. iteration 744: trace = 2.412630413273622 (9.50544e-08% change) linmin: converged after 8 iterations. iteration 745: trace = 2.412630409750568 (1.46025e-07% change) linmin: converged after 4 iterations. iteration 746: trace = 2.412630408899045 (3.52944e-08% change) large trace change predicted (1.74437e-07%) linmin: converged after 2 iterations. iteration 747: trace = 2.412630404690509 (1.74438e-07% change) linmin: converged after 3 iterations. iteration 748: trace = 2.412630402828781 (7.71659e-08% change) linmin: converged after 5 iterations. iteration 749: trace = 2.41263040125073 (6.54079e-08% change) linmin: converged after 2 iterations. iteration 750: trace = 2.412630398787035 (1.02117e-07% change) linmin: converged after 8 iterations. iteration 751: trace = 2.412630396692446 (8.68176e-08% change) linmin: converged after 4 iterations. iteration 752: trace = 2.412630393831708 (1.18573e-07% change) linmin: converged after 6 iterations. iteration 753: trace = 2.412630388799679 (2.0857e-07% change) linmin: converged after 4 iterations. iteration 754: trace = 2.412630386543187 (9.35283e-08% change) large trace change predicted (2.19226e-07%) linmin: converged after 5 iterations. iteration 755: trace = 2.412630381254233 (2.19219e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.412630372666863 (3.55934e-07% change) linmin: converged after 7 iterations. iteration 757: trace = 2.412630369953678 (1.12458e-07% change) large trace change predicted (5.4323e-07%) linmin: converged after 4 iterations. iteration 758: trace = 2.412630356847925 (5.43214e-07% change) linmin: converged after 4 iterations. iteration 759: trace = 2.412630345477035 (4.71307e-07% change) linmin: converged after 4 iterations. iteration 760: trace = 2.412630343402828 (8.59728e-08% change) large trace change predicted (3.18989e-07%) linmin: converged after 3 iterations. iteration 761: trace = 2.412630335707014 (3.1898e-07% change) linmin: converged after 3 iterations. iteration 762: trace = 2.412630333198186 (1.03987e-07% change) linmin: converged after 19 iterations. iteration 763: trace = 2.412630331974383 (5.07248e-08% change) large trace change predicted (1.87012e-07%) linmin: converged after 3 iterations. iteration 764: trace = 2.41263032746255 (1.87009e-07% change) linmin: converged after 4 iterations. iteration 765: trace = 2.412630326563659 (3.72577e-08% change) large trace change predicted (9.19309e-08%) linmin: converged after 10 iterations. iteration 766: trace = 2.412630324345699 (9.19312e-08% change) linmin: converged after 4 iterations. iteration 767: trace = 2.412630322187022 (8.9474e-08% change) linmin: converged after 10 iterations. iteration 768: trace = 2.412630321514101 (2.78916e-08% change) large trace change predicted (7.72777e-08%) linmin: converged after 7 iterations. iteration 769: trace = 2.412630319649701 (7.72767e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.412630317868127 (7.38436e-08% change) linmin: converged after 3 iterations. iteration 771: trace = 2.412630317237427 (2.61416e-08% change) large trace change predicted (8.7879e-08%) linmin: converged after 26 iterations. iteration 772: trace = 2.412630315117234 (8.78789e-08% change) linmin: converged after 4 iterations. iteration 773: trace = 2.412630313020271 (8.69161e-08% change) linmin: converged after 5 iterations. iteration 774: trace = 2.412630312173231 (3.51085e-08% change) large trace change predicted (1.58423e-07%) linmin: converged after 2 iterations. iteration 775: trace = 2.412630308351077 (1.58423e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.412630306755297 (6.61427e-08% change) linmin: converged after 6 iterations. iteration 777: trace = 2.412630305150861 (6.65015e-08% change) large trace change predicted (3.1318e-07%) linmin: converged after 9 iterations. iteration 778: trace = 2.412630297594885 (3.13184e-07% change) linmin: converged after 11 iterations. iteration 779: trace = 2.412630296100234 (6.19511e-08% change) large trace change predicted (3.95827e-07%) linmin: converged after 3 iterations. iteration 780: trace = 2.412630286550218 (3.95834e-07% change) linmin: converged after 7 iterations. iteration 781: trace = 2.412630279542905 (2.90443e-07% change) linmin: converged after 3 iterations. iteration 782: trace = 2.412630275350564 (1.73766e-07% change) linmin: converged after 3 iterations. iteration 783: trace = 2.412630269668914 (2.35496e-07% change) linmin: converged after 19 iterations. iteration 784: trace = 2.412630262832058 (2.83378e-07% change) linmin: converged after 4 iterations. iteration 785: trace = 2.412630261446174 (5.74428e-08% change) large trace change predicted (1.87201e-07%) linmin: converged after 9 iterations. iteration 786: trace = 2.412630256929665 (1.87203e-07% change) linmin: converged after 9 iterations. iteration 787: trace = 2.412630254537486 (9.91523e-08% change) linmin: converged after 3 iterations. iteration 788: trace = 2.412630253518343 (4.2242e-08% change) linmin: converged after 19 iterations. iteration 789: trace = 2.412630251920914 (6.62111e-08% change) linmin: converged after 8 iterations. iteration 790: trace = 2.41263024910309 (1.16795e-07% change) linmin: converged after 4 iterations. iteration 791: trace = 2.412630248726472 (1.56103e-08% change) large trace change predicted (1.09238e-07%) linmin: converged after 9 iterations. iteration 792: trace = 2.412630246091002 (1.09236e-07% change) linmin: converged after 3 iterations. iteration 793: trace = 2.412630244922155 (4.8447e-08% change) linmin: converged after 18 iterations. iteration 794: trace = 2.412630244232069 (2.8603e-08% change) large trace change predicted (1.34397e-07%) linmin: converged after 3 iterations. iteration 795: trace = 2.412630240989678 (1.34392e-07% change) linmin: converged after 4 iterations. iteration 796: trace = 2.412630240262083 (3.01578e-08% change) large trace change predicted (1.1302e-07%) linmin: converged after 3 iterations. iteration 797: trace = 2.412630237535456 (1.13015e-07% change) linmin: converged after 5 iterations. iteration 798: trace = 2.412630234820691 (1.12523e-07% change) linmin: converged after 3 iterations. iteration 799: trace = 2.41263023377728 (4.32478e-08% change) large trace change predicted (1.02522e-07%) linmin: converged after 10 iterations. iteration 800: trace = 2.41263023130382 (1.02521e-07% change) large trace change predicted (2.76893e-07%) linmin: converged after 5 iterations. iteration 801: trace = 2.412630224624287 (2.76857e-07% change) linmin: converged after 17 iterations. iteration 802: trace = 2.412630222255615 (9.8178e-08% change) large trace change predicted (4.92994e-07%) linmin: converged after 4 iterations. iteration 803: trace = 2.412630210364647 (4.92863e-07% change) linmin: converged after 3 iterations. iteration 804: trace = 2.412630200433205 (4.11644e-07% change) linmin: converged after 28 iterations. iteration 805: trace = 2.412630195941604 (1.8617e-07% change) linmin: converged after 4 iterations. iteration 806: trace = 2.412630193608453 (9.67057e-08% change) large trace change predicted (2.60639e-07%) linmin: converged after 5 iterations. iteration 807: trace = 2.412630187320838 (2.60612e-07% change) linmin: converged after 4 iterations. iteration 808: trace = 2.412630183176117 (1.71793e-07% change) linmin: converged after 4 iterations. iteration 809: trace = 2.412630182068422 (4.59124e-08% change) large trace change predicted (1.43362e-07%) linmin: converged after 10 iterations. iteration 810: trace = 2.412630178609815 (1.43354e-07% change) linmin: converged after 21 iterations. iteration 811: trace = 2.412630177234165 (5.70187e-08% change) linmin: converged after 18 iterations. iteration 812: trace = 2.412630176226698 (4.17581e-08% change) large trace change predicted (1.13102e-07%) linmin: converged after 4 iterations. iteration 813: trace = 2.412630173498098 (1.13096e-07% change) linmin: converged after 11 iterations. iteration 814: trace = 2.412630172429498 (4.42919e-08% change) large trace change predicted (9.31313e-08%) linmin: converged after 6 iterations. iteration 815: trace = 2.412630170182694 (9.31268e-08% change) linmin: converged after 7 iterations. iteration 816: trace = 2.412630168425175 (7.28466e-08% change) linmin: converged after 7 iterations. iteration 817: trace = 2.412630167335922 (4.5148e-08% change) linmin: converged after 34 iterations. iteration 818: trace = 2.4126301655405 (7.44176e-08% change) linmin: converged after 4 iterations. iteration 819: trace = 2.412630162508688 (1.25664e-07% change) linmin: converged after 6 iterations. iteration 820: trace = 2.412630161403833 (4.57946e-08% change) large trace change predicted (1.57552e-07%) linmin: converged after 3 iterations. iteration 821: trace = 2.412630157602701 (1.57551e-07% change) linmin: converged after 3 iterations. iteration 822: trace = 2.412630155205343 (9.9367e-08% change) linmin: converged after 13 iterations. iteration 823: trace = 2.412630152160419 (1.26208e-07% change) linmin: converged after 10 iterations. iteration 824: trace = 2.412630146434432 (2.37334e-07% change) linmin: converged after 7 iterations. iteration 825: trace = 2.412630140606383 (2.41564e-07% change) linmin: converged after 3 iterations. iteration 826: trace = 2.412630136110739 (1.86338e-07% change) large trace change predicted (6.51358e-07%) linmin: converged after 22 iterations. iteration 827: trace = 2.412630120394821 (6.51402e-07% change) linmin: converged after 13 iterations. iteration 828: trace = 2.412630118507895 (7.82103e-08% change) large trace change predicted (2.9953e-07%) linmin: converged after 19 iterations. iteration 829: trace = 2.412630111281268 (2.99533e-07% change) linmin: converged after 24 iterations. iteration 830: trace = 2.412630105783522 (2.27874e-07% change) linmin: converged after 16 iterations. iteration 831: trace = 2.412630103763826 (8.37134e-08% change) linmin: converged after 3 iterations. iteration 832: trace = 2.412630100578352 (1.32033e-07% change) linmin: converged after 3 iterations. iteration 833: trace = 2.412630097388273 (1.32224e-07% change) linmin: converged after 3 iterations. iteration 834: trace = 2.412630096662051 (3.01008e-08% change) large trace change predicted (1.06026e-07%) linmin: converged after 3 iterations. iteration 835: trace = 2.412630094104007 (1.06027e-07% change) linmin: converged after 4 iterations. iteration 836: trace = 2.412630093020168 (4.49236e-08% change) linmin: converged after 4 iterations. iteration 837: trace = 2.412630091649397 (5.68165e-08% change) linmin: converged after 3 iterations. iteration 838: trace = 2.412630090038643 (6.67634e-08% change) large trace change predicted (1.85395e-07%) linmin: converged after 5 iterations. iteration 839: trace = 2.412630085565559 (1.85403e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.41263008151028 (1.68085e-07% change) linmin: converged after 2 iterations. iteration 841: trace = 2.412630079878606 (6.76305e-08% change) linmin: converged after 4 iterations. iteration 842: trace = 2.412630078477312 (5.80816e-08% change) linmin: converged after 9 iterations. iteration 843: trace = 2.412630077511205 (4.00437e-08% change) large trace change predicted (1.0145e-07%) linmin: converged after 4 iterations. iteration 844: trace = 2.412630075063618 (1.01449e-07% change) linmin: converged after 13 iterations. iteration 845: trace = 2.412630074286727 (3.2201e-08% change) large trace change predicted (8.56865e-08%) linmin: converged after 3 iterations. iteration 846: trace = 2.412630072219485 (8.56842e-08% change) linmin: converged after 7 iterations. iteration 847: trace = 2.412630069692656 (1.04733e-07% change) linmin: converged after 3 iterations. iteration 848: trace = 2.412630068370095 (5.48183e-08% change) large trace change predicted (1.5323e-07%) linmin: converged after 4 iterations. iteration 849: trace = 2.412630064673256 (1.53229e-07% change) large trace change predicted (3.21858e-07%) linmin: converged after 7 iterations. iteration 850: trace = 2.412630056908164 (3.21852e-07% change) linmin: converged after 4 iterations. iteration 851: trace = 2.41263005546774 (5.97035e-08% change) large trace change predicted (4.3889e-07%) linmin: converged after 11 iterations. iteration 852: trace = 2.412630044879021 (4.38887e-07% change) linmin: converged after 10 iterations. iteration 853: trace = 2.412630040042149 (2.00481e-07% change) linmin: converged after 8 iterations. iteration 854: trace = 2.412630037298545 (1.13718e-07% change) linmin: converged after 7 iterations. iteration 855: trace = 2.412630032813382 (1.85903e-07% change) linmin: converged after 4 iterations. iteration 856: trace = 2.412630029399109 (1.41517e-07% change) linmin: converged after 2 iterations. iteration 857: trace = 2.412630028212164 (4.91971e-08% change) linmin: converged after 18 iterations. iteration 858: trace = 2.412630026220737 (8.25417e-08% change) linmin: converged after 16 iterations. iteration 859: trace = 2.412630024819416 (5.80827e-08% change) linmin: converged after 14 iterations. iteration 860: trace = 2.412630024026551 (3.28631e-08% change) linmin: converged after 3 iterations. iteration 861: trace = 2.412630022553406 (6.10597e-08% change) linmin: converged after 3 iterations. iteration 862: trace = 2.41263002171375 (3.48025e-08% change) linmin: converged after 9 iterations. iteration 863: trace = 2.412630020152418 (6.4715e-08% change) linmin: converged after 16 iterations. iteration 864: trace = 2.412630019147033 (4.16717e-08% change) linmin: converged after 6 iterations. iteration 865: trace = 2.41263001848697 (2.73587e-08% change) linmin: converged after 3 iterations. iteration 866: trace = 2.41263001729565 (4.93785e-08% change) linmin: converged after 26 iterations. iteration 867: trace = 2.412630015476 (7.54219e-08% change) linmin: converged after 3 iterations. iteration 868: trace = 2.412630014722096 (3.12482e-08% change) large trace change predicted (7.86228e-08%) linmin: converged after 23 iterations. iteration 869: trace = 2.412630012825134 (7.86263e-08% change) linmin: converged after 6 iterations. iteration 870: trace = 2.412630011092031 (7.18346e-08% change) linmin: converged after 3 iterations. iteration 871: trace = 2.412630010196684 (3.71108e-08% change) large trace change predicted (9.56084e-08%) linmin: converged after 21 iterations. iteration 872: trace = 2.412630007889925 (9.56118e-08% change) linmin: converged after 14 iterations. iteration 873: trace = 2.412630004057833 (1.58835e-07% change) linmin: converged after 5 iterations. iteration 874: trace = 2.412630000345374 (1.53876e-07% change) linmin: converged after 3 iterations. iteration 875: trace = 2.412629996960273 (1.40308e-07% change) linmin: converged after 4 iterations. iteration 876: trace = 2.41262999182819 (2.12717e-07% change) linmin: converged after 3 iterations. iteration 877: trace = 2.41262998997961 (7.6621e-08% change) linmin: converged after 7 iterations. iteration 878: trace = 2.412629987744847 (9.26277e-08% change) linmin: converged after 5 iterations. iteration 879: trace = 2.41262998472488 (1.25173e-07% change) linmin: converged after 4 iterations. iteration 880: trace = 2.41262998388736 (3.4714e-08% change) large trace change predicted (7.91859e-08%) linmin: converged after 4 iterations. iteration 881: trace = 2.412629981976823 (7.9189e-08% change) linmin: converged after 2 iterations. iteration 882: trace = 2.412629981234265 (3.07779e-08% change) linmin: converged after 4 iterations. iteration 883: trace = 2.41262998053784 (2.88658e-08% change) linmin: converged after 4 iterations. iteration 884: trace = 2.412629979558923 (4.05747e-08% change) linmin: converged after 3 iterations. iteration 885: trace = 2.412629978925704 (2.6246e-08% change) linmin: converged after 20 iterations. iteration 886: trace = 2.412629978009389 (3.79799e-08% change) linmin: converged after 2 iterations. iteration 887: trace = 2.412629976503111 (6.2433e-08% change) linmin: converged after 6 iterations. iteration 888: trace = 2.412629976306796 (8.13697e-09% change) large trace change predicted (3.06396e-08%) linmin: converged after 4 iterations. iteration 889: trace = 2.412629975567579 (3.06395e-08% change) linmin: converged after 4 iterations. iteration 890: trace = 2.412629974494204 (4.44898e-08% change) linmin: converged after 7 iterations. iteration 891: trace = 2.412629974274471 (9.10762e-09% change) large trace change predicted (7.08135e-08%) linmin: converged after 3 iterations. iteration 892: trace = 2.41262997256604 (7.0812e-08% change) linmin: converged after 13 iterations. iteration 893: trace = 2.412629971667166 (3.7257e-08% change) linmin: converged after 9 iterations. iteration 894: trace = 2.412629970211166 (6.03491e-08% change) linmin: converged after 3 iterations. iteration 895: trace = 2.4126299675696 (1.09489e-07% change) linmin: converged after 4 iterations. iteration 896: trace = 2.412629966679517 (3.68926e-08% change) large trace change predicted (9.2062e-08%) linmin: converged after 16 iterations. iteration 897: trace = 2.412629964458456 (9.20598e-08% change) linmin: converged after 4 iterations. iteration 898: trace = 2.412629960107839 (1.80327e-07% change) linmin: converged after 4 iterations. iteration 899: trace = 2.412629956681058 (1.42035e-07% change) linmin: converged after 17 iterations. iteration 900: trace = 2.412629955568261 (4.61238e-08% change) large trace change predicted (1.24164e-07%) linmin: converged after 3 iterations. iteration 901: trace = 2.412629952572671 (1.24163e-07% change) linmin: converged after 7 iterations. iteration 902: trace = 2.41262995211164 (1.91091e-08% change) linmin: converged after 4 iterations. iteration 903: trace = 2.412629951351644 (3.15007e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.412629949860268 (6.18154e-08% change) linmin: converged after 4 iterations. iteration 905: trace = 2.412629949640863 (9.094e-09% change) large trace change predicted (4.08356e-08%) linmin: converged after 4 iterations. iteration 906: trace = 2.412629948655661 (4.08352e-08% change) linmin: converged after 3 iterations. iteration 907: trace = 2.412629948000308 (2.71634e-08% change) linmin: converged after 3 iterations. iteration 908: trace = 2.412629947791989 (8.63451e-09% change) large trace change predicted (2.62099e-08%) linmin: converged after 3 iterations. iteration 909: trace = 2.412629947159648 (2.62096e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.412629946603579 (2.30482e-08% change) linmin: converged after 18 iterations. iteration 911: trace = 2.412629946430211 (7.18585e-09% change) large trace change predicted (2.97514e-08%) linmin: converged after 4 iterations. iteration 912: trace = 2.412629945712421 (2.97514e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.412629945037566 (2.79718e-08% change) linmin: converged after 4 iterations. iteration 914: trace = 2.412629944635202 (1.66774e-08% change) large trace change predicted (5.89224e-08%) linmin: converged after 29 iterations. iteration 915: trace = 2.412629943213624 (5.89224e-08% change) linmin: converged after 28 iterations. iteration 916: trace = 2.412629942673241 (2.23981e-08% change) linmin: converged after 37 iterations. iteration 917: trace = 2.412629942084224 (2.44139e-08% change) large trace change predicted (1.08341e-07%) linmin: converged after 3 iterations. iteration 918: trace = 2.412629939470376 (1.0834e-07% change) linmin: converged after 12 iterations. iteration 919: trace = 2.412629939024025 (1.85006e-08% change) large trace change predicted (1.45008e-07%) linmin: converged after 36 iterations. iteration 920: trace = 2.412629935525507 (1.45008e-07% change) linmin: converged after 35 iterations. iteration 921: trace = 2.412629933133675 (9.9138e-08% change) linmin: converged after 33 iterations. iteration 922: trace = 2.412629931939856 (4.94821e-08% change) linmin: converged after 6 iterations. iteration 923: trace = 2.412629929684806 (9.34685e-08% change) linmin: converged after 3 iterations. iteration 924: trace = 2.412629927522294 (8.9633e-08% change) linmin: converged after 3 iterations. iteration 925: trace = 2.412629926960233 (2.32966e-08% change) large trace change predicted (6.17147e-08%) linmin: converged after 4 iterations. iteration 926: trace = 2.412629925471272 (6.17153e-08% change) linmin: converged after 3 iterations. iteration 927: trace = 2.412629924752712 (2.97833e-08% change) linmin: converged after 18 iterations. iteration 928: trace = 2.412629924340847 (1.70712e-08% change) linmin: converged after 25 iterations. iteration 929: trace = 2.412629923690569 (2.69531e-08% change) linmin: converged after 3 iterations. iteration 930: trace = 2.412629922606678 (4.49257e-08% change) linmin: converged after 4 iterations. iteration 931: trace = 2.412629922381308 (9.34124e-09% change) large trace change predicted (2.78896e-08%) linmin: converged after 3 iterations. iteration 932: trace = 2.412629921708441 (2.78894e-08% change) linmin: converged after 2 iterations. iteration 933: trace = 2.41262992104805 (2.73722e-08% change) linmin: converged after 3 iterations. iteration 934: trace = 2.412629920845703 (8.38699e-09% change) large trace change predicted (4.79543e-08%) linmin: converged after 4 iterations. iteration 935: trace = 2.412629919688754 (4.79538e-08% change) linmin: converged after 4 iterations. iteration 936: trace = 2.412629919114845 (2.37877e-08% change) linmin: converged after 2 iterations. iteration 937: trace = 2.412629918511692 (2.49998e-08% change) large trace change predicted (5.65366e-08%) linmin: converged after 5 iterations. iteration 938: trace = 2.412629917147718 (5.65348e-08% change) linmin: converged after 2 iterations. iteration 939: trace = 2.412629916739739 (1.69101e-08% change) large trace change predicted (3.49757e-08%) linmin: converged after 6 iterations. iteration 940: trace = 2.412629915895912 (3.49754e-08% change) large trace change predicted (1.03946e-07%) linmin: converged after 25 iterations. iteration 941: trace = 2.412629913388183 (1.03942e-07% change) linmin: converged after 14 iterations. iteration 942: trace = 2.412629911739267 (6.83452e-08% change) large trace change predicted (1.3842e-07%) linmin: converged after 14 iterations. iteration 943: trace = 2.412629908400014 (1.38407e-07% change) linmin: converged after 4 iterations. iteration 944: trace = 2.412629905801034 (1.07724e-07% change) linmin: converged after 3 iterations. iteration 945: trace = 2.412629904539625 (5.22836e-08% change) linmin: converged after 6 iterations. iteration 946: trace = 2.412629902658073 (7.79876e-08% change) linmin: converged after 5 iterations. iteration 947: trace = 2.412629900580813 (8.60994e-08% change) linmin: converged after 4 iterations. iteration 948: trace = 2.412629899923036 (2.72639e-08% change) linmin: converged after 17 iterations. iteration 949: trace = 2.412629898704476 (5.05076e-08% change) linmin: converged after 3 iterations. iteration 950: trace = 2.412629897638364 (4.41888e-08% change) linmin: converged after 10 iterations. iteration 951: trace = 2.412629897314533 (1.34223e-08% change) linmin: converged after 3 iterations. iteration 952: trace = 2.412629896768283 (2.26413e-08% change) linmin: converged after 3 iterations. iteration 953: trace = 2.412629895711747 (4.37919e-08% change) linmin: converged after 6 iterations. iteration 954: trace = 2.412629895548865 (6.75123e-09% change) large trace change predicted (4.65758e-08%) linmin: converged after 9 iterations. iteration 955: trace = 2.412629894425191 (4.65747e-08% change) linmin: converged after 3 iterations. iteration 956: trace = 2.412629893390733 (4.28768e-08% change) linmin: converged after 24 iterations. iteration 957: trace = 2.412629893120608 (1.11963e-08% change) linmin: converged after 3 iterations. iteration 958: trace = 2.41262989263121 (2.02848e-08% change) large trace change predicted (4.44366e-08%) linmin: converged after 27 iterations. iteration 959: trace = 2.412629891559116 (4.44368e-08% change) linmin: converged after 4 iterations. iteration 960: trace = 2.412629891263049 (1.22716e-08% change) large trace change predicted (4.97846e-08%) linmin: converged after 4 iterations. iteration 961: trace = 2.41262989006193 (4.97846e-08% change) linmin: converged after 28 iterations. iteration 962: trace = 2.412629888406727 (6.86058e-08% change) linmin: converged after 3 iterations. iteration 963: trace = 2.412629887741038 (2.75918e-08% change) large trace change predicted (9.7619e-08%) linmin: converged after 6 iterations. iteration 964: trace = 2.412629885385868 (9.76184e-08% change) linmin: converged after 9 iterations. iteration 965: trace = 2.412629883467717 (7.95046e-08% change) linmin: converged after 16 iterations. iteration 966: trace = 2.412629881976846 (6.17944e-08% change) large trace change predicted (2.09176e-07%) linmin: converged after 23 iterations. iteration 967: trace = 2.412629876930009 (2.09184e-07% change) linmin: converged after 5 iterations. iteration 968: trace = 2.412629875543301 (5.7477e-08% change) linmin: converged after 23 iterations. iteration 969: trace = 2.412629873599101 (8.05842e-08% change) linmin: converged after 2 iterations. iteration 970: trace = 2.412629872166236 (5.93902e-08% change) linmin: converged after 6 iterations. iteration 971: trace = 2.412629871567043 (2.48357e-08% change) linmin: converged after 3 iterations. iteration 972: trace = 2.412629870410906 (4.79202e-08% change) linmin: converged after 3 iterations. iteration 973: trace = 2.412629869348892 (4.40189e-08% change) linmin: converged after 4 iterations. iteration 974: trace = 2.412629869132651 (8.96287e-09% change) large trace change predicted (3.83009e-08%) linmin: converged after 3 iterations. iteration 975: trace = 2.412629868208587 (3.83011e-08% change) linmin: converged after 17 iterations. iteration 976: trace = 2.412629867508941 (2.89993e-08% change) linmin: converged after 4 iterations. iteration 977: trace = 2.41262986714653 (1.50214e-08% change) large trace change predicted (3.0632e-08%) linmin: converged after 3 iterations. iteration 978: trace = 2.412629866407475 (3.06327e-08% change) large trace change predicted (1.408e-07%) linmin: converged after 7 iterations. iteration 979: trace = 2.412629863010455 (1.40802e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.412629860052295 (1.22611e-07% change) linmin: converged after 3 iterations. iteration 981: trace = 2.412629859344464 (2.93386e-08% change) linmin: converged after 2 iterations. iteration 982: trace = 2.412629858880917 (1.92134e-08% change) linmin: converged after 2 iterations. iteration 983: trace = 2.412629858276113 (2.50682e-08% change) linmin: converged after 4 iterations. iteration 984: trace = 2.412629857509056 (3.17934e-08% change) linmin: converged after 4 iterations. iteration 985: trace = 2.412629857240155 (1.11455e-08% change) linmin: converged after 3 iterations. iteration 986: trace = 2.41262985674862 (2.03734e-08% change) linmin: converged after 3 iterations. iteration 987: trace = 2.412629855932325 (3.38342e-08% change) linmin: converged after 4 iterations. iteration 988: trace = 2.412629855594522 (1.40014e-08% change) large trace change predicted (5.93685e-08%) linmin: converged after 35 iterations. iteration 989: trace = 2.412629854162197 (5.93678e-08% change) linmin: converged after 20 iterations. iteration 990: trace = 2.41262985235914 (7.47341e-08% change) linmin: converged after 16 iterations. iteration 991: trace = 2.412629851534124 (3.41957e-08% change) large trace change predicted (1.23989e-07%) linmin: converged after 5 iterations. iteration 992: trace = 2.412629848542833 (1.23985e-07% change) linmin: converged after 13 iterations. iteration 993: trace = 2.412629847636045 (3.7585e-08% change) linmin: converged after 16 iterations. iteration 994: trace = 2.412629846375563 (5.22451e-08% change) linmin: converged after 4 iterations. iteration 995: trace = 2.412629843948068 (1.00616e-07% change) linmin: converged after 4 iterations. iteration 996: trace = 2.412629843607194 (1.41287e-08% change) large trace change predicted (6.7988e-08%) linmin: converged after 4 iterations. iteration 997: trace = 2.412629841966889 (6.79883e-08% change) linmin: converged after 6 iterations. iteration 998: trace = 2.412629841440538 (2.18165e-08% change) linmin: converged after 4 iterations. iteration 999: trace = 2.412629841193702 (1.0231e-08% change) large trace change predicted (3.12016e-08%) linmin: converged after 6 iterations. iteration 1000: trace = 2.412629840440918 (3.12018e-08% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.412629839886335 (2.29866e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.412629839727234 (6.59449e-09% change) large trace change predicted (3.22075e-08%) linmin: converged after 4 iterations. iteration 1003: trace = 2.412629838950178 (3.22079e-08% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.412629838660329 (1.20138e-08% change) linmin: converged after 14 iterations. iteration 1005: trace = 2.412629838191677 (1.94249e-08% change) linmin: converged after 16 iterations. iteration 1006: trace = 2.412629838007164 (7.64779e-09% change) large trace change predicted (3.11401e-08%) linmin: converged after 3 iterations. iteration 1007: trace = 2.412629837255847 (3.1141e-08% change) linmin: converged after 5 iterations. iteration 1008: trace = 2.412629837124343 (5.45064e-09% change) large trace change predicted (1.66649e-08%) linmin: converged after 3 iterations. iteration 1009: trace = 2.41262983672228 (1.66649e-08% change) linmin: converged after 13 iterations. iteration 1010: trace = 2.412629836093977 (2.60422e-08% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.412629835782059 (1.29286e-08% change) large trace change predicted (3.07177e-08%) linmin: converged after 19 iterations. iteration 1012: trace = 2.412629835040941 (3.07182e-08% change) linmin: converged after 5 iterations. iteration 1013: trace = 2.412629833664326 (5.70587e-08% change) linmin: converged after 31 iterations. iteration 1014: trace = 2.412629833299759 (1.51108e-08% change) large trace change predicted (8.95773e-08%) linmin: converged after 4 iterations. iteration 1015: trace = 2.412629831138368 (8.95865e-08% change) linmin: converged after 8 iterations. iteration 1016: trace = 2.412629830159918 (4.05553e-08% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.412629829514783 (2.67399e-08% change) large trace change predicted (6.01776e-08%) linmin: converged after 5 iterations. iteration 1018: trace = 2.412629828062851 (6.01804e-08% change) linmin: converged after 24 iterations. iteration 1019: trace = 2.412629826752136 (5.43272e-08% change) linmin: converged after 19 iterations. iteration 1020: trace = 2.412629826615537 (5.66184e-09% change) large trace change predicted (2.52403e-08%) linmin: converged after 8 iterations. iteration 1021: trace = 2.41262982600657 (2.52408e-08% change) linmin: converged after 10 iterations. iteration 1022: trace = 2.412629825573912 (1.79331e-08% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.41262982544609 (5.29803e-09% change) large trace change predicted (1.68311e-08%) linmin: converged after 4 iterations. iteration 1024: trace = 2.412629825040014 (1.68313e-08% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.412629824620993 (1.73678e-08% change) linmin: converged after 6 iterations. iteration 1026: trace = 2.412629824476852 (5.97444e-09% change) large trace change predicted (2.18839e-08%) linmin: converged after 3 iterations. iteration 1027: trace = 2.412629823948873 (2.18839e-08% change) linmin: converged after 22 iterations. iteration 1028: trace = 2.412629823857702 (3.77891e-09% change) linmin: converged after 4 iterations. iteration 1029: trace = 2.412629823697462 (6.64174e-09% change) large trace change predicted (1.82985e-08%) linmin: converged after 3 iterations. iteration 1030: trace = 2.41262982325599 (1.82984e-08% change) linmin: converged after 36 iterations. iteration 1031: trace = 2.412629823126512 (5.36668e-09% change) large trace change predicted (2.03961e-08%) linmin: converged after 3 iterations. iteration 1032: trace = 2.412629822634432 (2.0396e-08% change) linmin: converged after 21 iterations. iteration 1033: trace = 2.412629822112127 (2.16488e-08% change) linmin: converged after 3 iterations. iteration 1034: trace = 2.412629821927908 (7.6356e-09% change) large trace change predicted (3.34563e-08%) linmin: converged after 8 iterations. iteration 1035: trace = 2.412629821120743 (3.34558e-08% change) linmin: converged after 3 iterations. iteration 1036: trace = 2.412629820436516 (2.83602e-08% change) linmin: converged after 31 iterations. iteration 1037: trace = 2.412629820024577 (1.70743e-08% change) large trace change predicted (5.44343e-08%) linmin: converged after 5 iterations. iteration 1038: trace = 2.412629818711304 (5.44333e-08% change) linmin: converged after 6 iterations. iteration 1039: trace = 2.412629817677978 (4.28299e-08% change) linmin: converged after 7 iterations. iteration 1040: trace = 2.412629817059748 (2.56247e-08% change) linmin: converged after 5 iterations. iteration 1041: trace = 2.41262981609746 (3.98855e-08% change) linmin: converged after 9 iterations. iteration 1042: trace = 2.41262981570948 (1.60812e-08% change) linmin: converged after 16 iterations. iteration 1043: trace = 2.41262981556652 (5.92548e-09% change) large trace change predicted (2.34513e-08%) linmin: converged after 4 iterations. iteration 1044: trace = 2.412629815000735 (2.3451e-08% change) linmin: converged after 2 iterations. iteration 1045: trace = 2.412629814832913 (6.95597e-09% change) linmin: converged after 5 iterations. iteration 1046: trace = 2.412629814571759 (1.08245e-08% change) linmin: converged after 35 iterations. iteration 1047: trace = 2.412629814351824 (9.11599e-09% change) linmin: converged after 23 iterations. iteration 1048: trace = 2.412629814280324 (2.96358e-09% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.412629814141311 (5.76188e-09% change) resetting CG direction... linmin: converged after 12 iterations. iteration 1050: trace = 2.412629814011531 (5.37916e-09% change) linmin: converged after 25 iterations. iteration 1051: trace = 2.41262981394684 (2.68138e-09% change) large trace change predicted (9.09106e-09%) linmin: converged after 3 iterations. iteration 1052: trace = 2.412629813727504 (9.09116e-09% change) linmin: converged after 11 iterations. iteration 1053: trace = 2.412629813474037 (1.05058e-08% change) linmin: converged after 12 iterations. iteration 1054: trace = 2.412629813323608 (6.23508e-09% change) large trace change predicted (2.13059e-08%) linmin: converged after 29 iterations. iteration 1055: trace = 2.412629812809573 (2.1306e-08% change) linmin: converged after 4 iterations. iteration 1056: trace = 2.412629812661426 (6.14049e-09% change) large trace change predicted (1.23601e-08%) linmin: converged after 4 iterations. iteration 1057: trace = 2.412629812363224 (1.236e-08% change) large trace change predicted (3.90357e-08%) linmin: converged after 3 iterations. iteration 1058: trace = 2.41262981142143 (3.9036e-08% change) linmin: converged after 25 iterations. iteration 1059: trace = 2.412629810946882 (1.96693e-08% change) linmin: converged after 19 iterations. iteration 1060: trace = 2.412629810006206 (3.89896e-08% change) linmin: converged after 4 iterations. iteration 1061: trace = 2.412629809000206 (4.16972e-08% change) linmin: converged after 4 iterations. iteration 1062: trace = 2.412629808616698 (1.58959e-08% change) linmin: converged after 26 iterations. iteration 1063: trace = 2.4126298080259 (2.44877e-08% change) linmin: converged after 2 iterations. iteration 1064: trace = 2.412629807396376 (2.60929e-08% change) linmin: converged after 3 iterations. iteration 1065: trace = 2.41262980725605 (5.81631e-09% change) large trace change predicted (1.77826e-08%) linmin: converged after 4 iterations. iteration 1066: trace = 2.412629806827022 (1.77826e-08% change) linmin: converged after 23 iterations. iteration 1067: trace = 2.41262980650895 (1.31836e-08% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.41262980638918 (4.96427e-09% change) linmin: converged after 26 iterations. iteration 1069: trace = 2.412629806245564 (5.95267e-09% change) linmin: converged after 3 iterations. iteration 1070: trace = 2.412629806021013 (9.30735e-09% change) linmin: converged after 3 iterations. iteration 1071: trace = 2.412629805876823 (5.97643e-09% change) large trace change predicted (1.46939e-08%) linmin: converged after 27 iterations. iteration 1072: trace = 2.412629805522315 (1.46939e-08% change) linmin: converged after 4 iterations. iteration 1073: trace = 2.412629805419518 (4.26078e-09% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.412629805217475 (8.3744e-09% change) linmin: converged after 23 iterations. iteration 1075: trace = 2.412629804859759 (1.48268e-08% change) linmin: converged after 23 iterations. iteration 1076: trace = 2.41262980478039 (3.28971e-09% change) large trace change predicted (1.52698e-08%) linmin: converged after 4 iterations. iteration 1077: trace = 2.412629804411993 (1.52695e-08% change) linmin: converged after 4 iterations. iteration 1078: trace = 2.412629803835411 (2.38985e-08% change) linmin: converged after 6 iterations. iteration 1079: trace = 2.412629803550236 (1.18201e-08% change) large trace change predicted (2.64073e-08%) linmin: converged after 8 iterations. iteration 1080: trace = 2.412629802913144 (2.64065e-08% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.412629802405484 (2.10418e-08% change) linmin: converged after 20 iterations. iteration 1082: trace = 2.412629802054365 (1.45534e-08% change) large trace change predicted (4.85807e-08%) linmin: converged after 23 iterations. iteration 1083: trace = 2.412629800882364 (4.85777e-08% change) linmin: converged after 5 iterations. iteration 1084: trace = 2.412629799571856 (5.43187e-08% change) linmin: converged after 3 iterations. iteration 1085: trace = 2.412629799288416 (1.17482e-08% change) large trace change predicted (2.53772e-08%) linmin: converged after 4 iterations. iteration 1086: trace = 2.41262979867617 (2.53767e-08% change) linmin: converged after 6 iterations. iteration 1087: trace = 2.412629798155509 (2.15807e-08% change) linmin: converged after 3 iterations. iteration 1088: trace = 2.412629797977812 (7.36526e-09% change) large trace change predicted (1.71152e-08%) linmin: converged after 3 iterations. iteration 1089: trace = 2.412629797564891 (1.7115e-08% change) linmin: converged after 3 iterations. iteration 1090: trace = 2.412629797236036 (1.36306e-08% change) linmin: converged after 5 iterations. iteration 1091: trace = 2.412629797146127 (3.72658e-09% change) large trace change predicted (1.66429e-08%) linmin: converged after 8 iterations. iteration 1092: trace = 2.412629796744604 (1.66426e-08% change) linmin: converged after 16 iterations. iteration 1093: trace = 2.412629796597781 (6.08562e-09% change) linmin: converged after 9 iterations. iteration 1094: trace = 2.412629796528624 (2.86644e-09% change) large trace change predicted (1.32146e-08%) linmin: converged after 4 iterations. iteration 1095: trace = 2.412629796209809 (1.32144e-08% change) linmin: converged after 13 iterations. iteration 1096: trace = 2.412629796050501 (6.60307e-09% change) large trace change predicted (1.37413e-08%) linmin: converged after 3 iterations. iteration 1097: trace = 2.412629795718977 (1.37412e-08% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.412629795455784 (1.0909e-08% change) linmin: converged after 5 iterations. iteration 1099: trace = 2.412629795325347 (5.40642e-09% change) large trace change predicted (1.40822e-08%) linmin: converged after 3 iterations. iteration 1100: trace = 2.412629794985595 (1.40822e-08% change) linmin: converged after 4 iterations. iteration 1101: trace = 2.412629794618395 (1.52199e-08% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.412629794427571 (7.90941e-09% change) large trace change predicted (3.37841e-08%) linmin: converged after 3 iterations. iteration 1103: trace = 2.412629793612483 (3.37842e-08% change) linmin: converged after 8 iterations. iteration 1104: trace = 2.412629792683634 (3.84995e-08% change) linmin: converged after 4 iterations. iteration 1105: trace = 2.412629792271863 (1.70673e-08% change) linmin: converged after 4 iterations. iteration 1106: trace = 2.412629791561477 (2.94445e-08% change) linmin: converged after 16 iterations. iteration 1107: trace = 2.412629790214044 (5.58491e-08% change) linmin: converged after 7 iterations. iteration 1108: trace = 2.412629789960863 (1.0494e-08% change) large trace change predicted (3.90288e-08%) linmin: converged after 16 iterations. iteration 1109: trace = 2.412629789019225 (3.90295e-08% change) linmin: converged after 4 iterations. iteration 1110: trace = 2.412629788842335 (7.33182e-09% change) large trace change predicted (2.1421e-08%) linmin: converged after 9 iterations. iteration 1111: trace = 2.412629788325511 (2.14216e-08% change) linmin: converged after 3 iterations. iteration 1112: trace = 2.412629788037764 (1.19267e-08% change) linmin: converged after 3 iterations. iteration 1113: trace = 2.412629787803015 (9.73003e-09% change) linmin: converged after 23 iterations. iteration 1114: trace = 2.412629787699538 (4.28898e-09% change) large trace change predicted (1.3443e-08%) linmin: converged after 3 iterations. iteration 1115: trace = 2.412629787375206 (1.34431e-08% change) linmin: converged after 21 iterations. iteration 1116: trace = 2.412629787276294 (4.09974e-09% change) large trace change predicted (1.2001e-08%) linmin: converged after 24 iterations. iteration 1117: trace = 2.412629786986755 (1.2001e-08% change) linmin: converged after 4 iterations. iteration 1118: trace = 2.412629786748777 (9.86386e-09% change) linmin: converged after 3 iterations. iteration 1119: trace = 2.412629786292433 (1.89148e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1120: trace = 2.412629785848988 (1.83802e-08% change) linmin: converged after 3 iterations. iteration 1121: trace = 2.412629785623657 (9.33966e-09% change) linmin: converged after 10 iterations. iteration 1122: trace = 2.412629785396949 (9.39672e-09% change) linmin: converged after 3 iterations. iteration 1123: trace = 2.412629785252847 (5.9728e-09% change) linmin: converged after 3 iterations. iteration 1124: trace = 2.412629784965543 (1.19083e-08% change) linmin: converged after 6 iterations. iteration 1125: trace = 2.412629784894571 (2.94171e-09% change) large trace change predicted (8.94799e-09%) linmin: converged after 3 iterations. iteration 1126: trace = 2.412629784678686 (8.9481e-09% change) linmin: converged after 3 iterations. iteration 1127: trace = 2.412629784418998 (1.07637e-08% change) linmin: converged after 41 iterations. iteration 1128: trace = 2.412629784294783 (5.14854e-09% change) large trace change predicted (2.05222e-08%) linmin: converged after 7 iterations. iteration 1129: trace = 2.412629783799666 (2.05219e-08% change) linmin: converged after 4 iterations. iteration 1130: trace = 2.412629783217858 (2.41151e-08% change) linmin: converged after 5 iterations. iteration 1131: trace = 2.412629782905474 (1.29479e-08% change) large trace change predicted (3.93323e-08%) linmin: converged after 15 iterations. iteration 1132: trace = 2.412629781956552 (3.93314e-08% change) linmin: converged after 10 iterations. iteration 1133: trace = 2.4126297814223 (2.2144e-08% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.412629781139761 (1.17108e-08% change) large trace change predicted (3.70881e-08%) linmin: converged after 34 iterations. iteration 1135: trace = 2.412629780244971 (3.70877e-08% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.412629779825604 (1.73822e-08% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.412629779584773 (9.98207e-09% change) linmin: converged after 2 iterations. iteration 1138: trace = 2.412629779380671 (8.45973e-09% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.412629779150927 (9.52255e-09% change) linmin: converged after 4 iterations. iteration 1140: trace = 2.412629779034004 (4.8463e-09% change) linmin: converged after 13 iterations. iteration 1141: trace = 2.412629778809317 (9.31293e-09% change) linmin: converged after 3 iterations. iteration 1142: trace = 2.412629778738212 (2.94723e-09% change) large trace change predicted (9.6957e-09%) linmin: converged after 3 iterations. iteration 1143: trace = 2.41262977850429 (9.69572e-09% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.412629778404162 (4.15014e-09% change) linmin: converged after 3 iterations. iteration 1145: trace = 2.412629778242337 (6.70742e-09% change) linmin: converged after 14 iterations. iteration 1146: trace = 2.412629778178061 (2.66417e-09% change) large trace change predicted (1.13094e-08%) linmin: converged after 25 iterations. iteration 1147: trace = 2.4126297779052 (1.13097e-08% change) linmin: converged after 3 iterations. iteration 1148: trace = 2.412629777850719 (2.25815e-09% change) large trace change predicted (5.19724e-09%) linmin: converged after 4 iterations. iteration 1149: trace = 2.412629777725329 (5.19723e-09% change) linmin: converged after 15 iterations. iteration 1150: trace = 2.412629777488554 (9.81398e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.412629777262293 (9.37822e-09% change) linmin: converged after 13 iterations. iteration 1152: trace = 2.412629777117201 (6.01385e-09% change) large trace change predicted (1.93871e-08%) linmin: converged after 6 iterations. iteration 1153: trace = 2.412629776649447 (1.93877e-08% change) linmin: converged after 28 iterations. iteration 1154: trace = 2.412629776527586 (5.05097e-09% change) large trace change predicted (3.11949e-08%) linmin: converged after 25 iterations. iteration 1155: trace = 2.412629775774925 (3.11967e-08% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.412629775365852 (1.69555e-08% change) linmin: converged after 4 iterations. iteration 1157: trace = 2.412629774918892 (1.85259e-08% change) linmin: converged after 4 iterations. iteration 1158: trace = 2.412629774657288 (1.08431e-08% change) linmin: converged after 3 iterations. iteration 1159: trace = 2.412629774194538 (1.91803e-08% change) linmin: converged after 23 iterations. iteration 1160: trace = 2.412629774146317 (1.99871e-09% change) large trace change predicted (8.86743e-09%) linmin: converged after 12 iterations. iteration 1161: trace = 2.412629773932376 (8.86752e-09% change) linmin: converged after 33 iterations. iteration 1162: trace = 2.412629773774357 (6.54969e-09% change) linmin: converged after 3 iterations. iteration 1163: trace = 2.412629773728515 (1.90007e-09% change) large trace change predicted (5.67544e-09%) linmin: converged after 4 iterations. iteration 1164: trace = 2.41262977359159 (5.67535e-09% change) linmin: converged after 5 iterations. iteration 1165: trace = 2.412629773436491 (6.42861e-09% change) linmin: converged after 7 iterations. iteration 1166: trace = 2.412629773390932 (1.88836e-09% change) large trace change predicted (7.66799e-09%) linmin: converged after 3 iterations. iteration 1167: trace = 2.412629773205932 (7.668e-09% change) linmin: converged after 19 iterations. iteration 1168: trace = 2.412629773149117 (2.3549e-09% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.412629773119786 (1.2157e-09% change) large trace change predicted (6.37928e-09%) linmin: converged after 4 iterations. iteration 1170: trace = 2.412629772965878 (6.37926e-09% change) linmin: converged after 26 iterations. iteration 1171: trace = 2.412629772928143 (1.56407e-09% change) large trace change predicted (7.14913e-09%) linmin: converged after 19 iterations. iteration 1172: trace = 2.412629772755665 (7.14898e-09% change) linmin: converged after 5 iterations. iteration 1173: trace = 2.412629772634329 (5.02918e-09% change) linmin: converged after 5 iterations. iteration 1174: trace = 2.412629772553549 (3.34822e-09% change) large trace change predicted (8.31988e-09%) linmin: converged after 6 iterations. iteration 1175: trace = 2.412629772352822 (8.31984e-09% change) linmin: converged after 4 iterations. iteration 1176: trace = 2.412629772014664 (1.40162e-08% change) linmin: converged after 26 iterations. iteration 1177: trace = 2.412629771917082 (4.04465e-09% change) large trace change predicted (2.20423e-08%) linmin: converged after 4 iterations. iteration 1178: trace = 2.412629771385287 (2.20421e-08% change) linmin: converged after 26 iterations. iteration 1179: trace = 2.412629771082309 (1.2558e-08% change) linmin: converged after 2 iterations. iteration 1180: trace = 2.412629770824299 (1.06941e-08% change) linmin: converged after 3 iterations. iteration 1181: trace = 2.412629770583826 (9.96722e-09% change) linmin: converged after 2 iterations. iteration 1182: trace = 2.412629770466926 (4.84536e-09% change) linmin: converged after 7 iterations. iteration 1183: trace = 2.412629770326081 (5.83781e-09% change) linmin: converged after 18 iterations. iteration 1184: trace = 2.412629770093298 (9.64852e-09% change) linmin: converged after 4 iterations. iteration 1185: trace = 2.412629770026122 (2.78435e-09% change) linmin: converged after 3 iterations. iteration 1186: trace = 2.412629769941639 (3.50168e-09% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.412629769861093 (3.33854e-09% change) linmin: converged after 3 iterations. iteration 1188: trace = 2.412629769830064 (1.28607e-09% change) linmin: converged after 2 iterations. iteration 1189: trace = 2.412629769788242 (1.73347e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.412629769748404 (1.65126e-09% change) linmin: converged after 3 iterations. iteration 1191: trace = 2.412629769719834 (1.18415e-09% change) large trace change predicted (3.31441e-09%) linmin: converged after 19 iterations. iteration 1192: trace = 2.41262976963987 (3.31439e-09% change) linmin: converged after 2 iterations. iteration 1193: trace = 2.412629769587001 (2.19137e-09% change) linmin: converged after 20 iterations. iteration 1194: trace = 2.412629769497466 (3.71108e-09% change) linmin: converged after 5 iterations. iteration 1195: trace = 2.412629769344929 (6.32244e-09% change) linmin: converged after 19 iterations. iteration 1196: trace = 2.412629769274844 (2.90493e-09% change) linmin: converged after 4 iterations. iteration 1197: trace = 2.412629769167316 (4.45685e-09% change) large trace change predicted (1.20284e-08%) linmin: converged after 4 iterations. iteration 1198: trace = 2.412629768877114 (1.20285e-08% change) linmin: converged after 6 iterations. iteration 1199: trace = 2.412629768796037 (3.36054e-09% change) large trace change predicted (1.92599e-08%) linmin: converged after 13 iterations. iteration 1200: trace = 2.412629768331363 (1.926e-08% change) linmin: converged after 25 iterations. iteration 1201: trace = 2.41262976801378 (1.31634e-08% change) linmin: converged after 18 iterations. iteration 1202: trace = 2.41262976784906 (6.8274e-09% change) linmin: converged after 3 iterations. iteration 1203: trace = 2.412629767635065 (8.86977e-09% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.412629767491865 (5.93546e-09% change) linmin: converged after 3 iterations. iteration 1205: trace = 2.412629767384182 (4.46328e-09% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.412629767223459 (6.66173e-09% change) linmin: converged after 3 iterations. iteration 1207: trace = 2.412629767172048 (2.13094e-09% change) large trace change predicted (4.28805e-09%) linmin: converged after 25 iterations. iteration 1208: trace = 2.412629767068592 (4.2881e-09% change) linmin: converged after 6 iterations. iteration 1209: trace = 2.412629767018007 (2.09665e-09% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.412629766926253 (3.80308e-09% change) linmin: converged after 15 iterations. iteration 1211: trace = 2.412629766896727 (1.2238e-09% change) large trace change predicted (5.36684e-09%) linmin: converged after 24 iterations. iteration 1212: trace = 2.412629766767248 (5.36674e-09% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.412629766734905 (1.34057e-09% change) large trace change predicted (2.70327e-09%) linmin: converged after 4 iterations. iteration 1214: trace = 2.412629766669687 (2.70319e-09% change) large trace change predicted (5.64749e-09%) linmin: converged after 9 iterations. iteration 1215: trace = 2.412629766533433 (5.64754e-09% change) linmin: converged after 2 iterations. iteration 1216: trace = 2.412629766508651 (1.02718e-09% change) large trace change predicted (5.54056e-09%) linmin: converged after 4 iterations. iteration 1217: trace = 2.412629766374981 (5.54043e-09% change) linmin: converged after 4 iterations. iteration 1218: trace = 2.412629766231579 (5.94381e-09% change) linmin: converged after 24 iterations. iteration 1219: trace = 2.412629766176944 (2.26454e-09% change) large trace change predicted (5.33296e-09%) linmin: converged after 3 iterations. iteration 1220: trace = 2.412629766048279 (5.33294e-09% change) large trace change predicted (1.31523e-08%) linmin: converged after 3 iterations. iteration 1221: trace = 2.412629765730969 (1.3152e-08% change) linmin: converged after 4 iterations. iteration 1222: trace = 2.412629765492582 (9.8808e-09% change) linmin: converged after 38 iterations. iteration 1223: trace = 2.412629765145416 (1.43895e-08% change) linmin: converged after 4 iterations. iteration 1224: trace = 2.412629764765214 (1.57588e-08% change) linmin: converged after 14 iterations. iteration 1225: trace = 2.412629764609337 (6.4609e-09% change) linmin: converged after 3 iterations. iteration 1226: trace = 2.412629764394798 (8.89231e-09% change) linmin: converged after 9 iterations. iteration 1227: trace = 2.412629764162322 (9.63578e-09% change) linmin: converged after 4 iterations. iteration 1228: trace = 2.412629764020966 (5.85899e-09% change) linmin: converged after 5 iterations. iteration 1229: trace = 2.412629763948705 (2.99514e-09% change) linmin: converged after 19 iterations. iteration 1230: trace = 2.412629763820925 (5.2963e-09% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.412629763746147 (3.09942e-09% change) linmin: converged after 13 iterations. iteration 1232: trace = 2.412629763688642 (2.3835e-09% change) linmin: converged after 6 iterations. iteration 1233: trace = 2.412629763615511 (3.03117e-09% change) linmin: converged after 6 iterations. iteration 1234: trace = 2.412629763533967 (3.3799e-09% change) linmin: converged after 4 iterations. iteration 1235: trace = 2.412629763483325 (2.09901e-09% change) large trace change predicted (6.53479e-09%) linmin: converged after 3 iterations. iteration 1236: trace = 2.412629763325664 (6.53484e-09% change) linmin: converged after 33 iterations. iteration 1237: trace = 2.412629763303096 (9.35399e-10% change) large trace change predicted (4.50275e-09%) linmin: converged after 22 iterations. iteration 1238: trace = 2.412629763194457 (4.50292e-09% change) linmin: converged after 7 iterations. iteration 1239: trace = 2.412629763082278 (4.64968e-09% change) linmin: converged after 26 iterations. iteration 1240: trace = 2.412629763036044 (1.9163e-09% change) large trace change predicted (4.92078e-09%) linmin: converged after 18 iterations. iteration 1241: trace = 2.412629762917325 (4.92076e-09% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.412629762682696 (9.725e-09% change) linmin: converged after 10 iterations. iteration 1243: trace = 2.412629762592304 (3.74664e-09% change) large trace change predicted (1.75923e-08%) linmin: converged after 8 iterations. iteration 1244: trace = 2.412629762167861 (1.75925e-08% change) linmin: converged after 3 iterations. iteration 1245: trace = 2.4126297620757 (3.81996e-09% change) large trace change predicted (9.87021e-09%) linmin: converged after 4 iterations. iteration 1246: trace = 2.412629761837568 (9.87023e-09% change) large trace change predicted (2.09998e-08%) linmin: converged after 31 iterations. iteration 1247: trace = 2.412629761330913 (2.10001e-08% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.412629761106383 (9.30643e-09% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.412629760964092 (5.89778e-09% change) linmin: converged after 26 iterations. iteration 1250: trace = 2.412629760743328 (9.15032e-09% change) linmin: converged after 16 iterations. iteration 1251: trace = 2.412629760697433 (1.90227e-09% change) linmin: converged after 32 iterations. iteration 1252: trace = 2.412629760613019 (3.49887e-09% change) linmin: converged after 7 iterations. iteration 1253: trace = 2.41262976052164 (3.78752e-09% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.412629760448013 (3.05171e-09% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.412629760396692 (2.12719e-09% change) large trace change predicted (5.52559e-09%) linmin: converged after 20 iterations. iteration 1256: trace = 2.412629760263379 (5.52565e-09% change) linmin: converged after 3 iterations. iteration 1257: trace = 2.412629760231685 (1.31368e-09% change) large trace change predicted (7.23674e-09%) linmin: converged after 20 iterations. iteration 1258: trace = 2.412629760057085 (7.23691e-09% change) large trace change predicted (1.10329e-07%) linmin: converged after 4 iterations. iteration 1259: trace = 2.412629757394972 (1.10341e-07% change) resetting CG direction... linmin: converged after 31 iterations. iteration 1260: trace = 2.412629756145485 (5.17894e-08% change) linmin: converged after 3 iterations. iteration 1261: trace = 2.412629755522189 (2.58347e-08% change) linmin: converged after 4 iterations. iteration 1262: trace = 2.412629755420031 (4.23429e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.412629755311408 (4.50228e-09% change) linmin: converged after 31 iterations. iteration 1264: trace = 2.412629755139941 (7.10707e-09% change) linmin: converged after 2 iterations. iteration 1265: trace = 2.412629755127741 (5.05673e-10% change) large trace change predicted (4.14563e-09%) linmin: converged after 2 iterations. iteration 1266: trace = 2.412629755027722 (4.14565e-09% change) linmin: converged after 28 iterations. iteration 1267: trace = 2.412629754993594 (1.41453e-09% change) linmin: converged after 7 iterations. iteration 1268: trace = 2.412629754977538 (6.655e-10% change) large trace change predicted (3.01768e-09%) linmin: converged after 3 iterations. iteration 1269: trace = 2.412629754904733 (3.01767e-09% change) linmin: converged after 26 iterations. iteration 1270: trace = 2.412629754855381 (2.04555e-09% change) linmin: converged after 8 iterations. iteration 1271: trace = 2.412629754793346 (2.57125e-09% change) large trace change predicted (6.44622e-09%) linmin: converged after 6 iterations. iteration 1272: trace = 2.412629754637826 (6.4461e-09% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.412629754580816 (2.36298e-09% change) linmin: converged after 4 iterations. iteration 1274: trace = 2.412629754519073 (2.55914e-09% change) large trace change predicted (6.61425e-09%) linmin: converged after 18 iterations. iteration 1275: trace = 2.412629754359497 (6.61423e-09% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.412629754255988 (4.29027e-09% change) linmin: converged after 3 iterations. iteration 1277: trace = 2.412629754117463 (5.74165e-09% change) linmin: converged after 3 iterations. iteration 1278: trace = 2.412629753994368 (5.10212e-09% change) linmin: converged after 6 iterations. iteration 1279: trace = 2.412629753928176 (2.74358e-09% change) linmin: converged after 3 iterations. iteration 1280: trace = 2.41262975382433 (4.30426e-09% change) linmin: converged after 2 iterations. iteration 1281: trace = 2.412629753688581 (5.62661e-09% change) linmin: converged after 16 iterations. iteration 1282: trace = 2.412629753664304 (1.00625e-09% change) large trace change predicted (3.85085e-09%) linmin: converged after 15 iterations. iteration 1283: trace = 2.412629753571395 (3.85093e-09% change) linmin: converged after 4 iterations. iteration 1284: trace = 2.41262975351645 (2.27739e-09% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.412629753499298 (7.10909e-10% change) linmin: converged after 15 iterations. iteration 1286: trace = 2.41262975346662 (1.35449e-09% change) linmin: converged after 3 iterations. iteration 1287: trace = 2.412629753416082 (2.0947e-09% change) linmin: converged after 4 iterations. iteration 1288: trace = 2.412629753405603 (4.34347e-10% change) large trace change predicted (1.54026e-09%) linmin: converged after 18 iterations. iteration 1289: trace = 2.412629753368441 (1.54032e-09% change) linmin: converged after 3 iterations. iteration 1290: trace = 2.412629753361718 (2.78661e-10% change) large trace change predicted (9.30624e-10%) linmin: converged after 13 iterations. iteration 1291: trace = 2.412629753339264 (9.30687e-10% change) large trace change predicted (2.39756e-09%) linmin: converged after 5 iterations. iteration 1292: trace = 2.412629753281419 (2.39758e-09% change) linmin: converged after 13 iterations. iteration 1293: trace = 2.412629753266869 (6.03064e-10% change) large trace change predicted (4.52078e-09%) linmin: converged after 4 iterations. iteration 1294: trace = 2.4126297531578 (4.52076e-09% change) linmin: converged after 6 iterations. iteration 1295: trace = 2.412629753018132 (5.78903e-09% change) linmin: converged after 3 iterations. iteration 1296: trace = 2.412629752936917 (3.36625e-09% change) linmin: converged after 5 iterations. iteration 1297: trace = 2.412629752886115 (2.10567e-09% change) large trace change predicted (5.0815e-09%) linmin: converged after 30 iterations. iteration 1298: trace = 2.412629752763515 (5.0816e-09% change) linmin: converged after 8 iterations. iteration 1299: trace = 2.412629752690727 (3.01698e-09% change) linmin: converged after 38 iterations. iteration 1300: trace = 2.412629752592583 (4.0679e-09% change) linmin: converged after 18 iterations. iteration 1301: trace = 2.412629752489281 (4.28173e-09% change) linmin: converged after 4 iterations. iteration 1302: trace = 2.412629752471359 (7.42845e-10% change) large trace change predicted (2.44872e-09%) linmin: converged after 28 iterations. iteration 1303: trace = 2.41262975241228 (2.44876e-09% change) linmin: converged after 4 iterations. iteration 1304: trace = 2.412629752376628 (1.4777e-09% change) linmin: converged after 3 iterations. iteration 1305: trace = 2.412629752357191 (8.0565e-10% change) large trace change predicted (2.63898e-09%) linmin: converged after 9 iterations. iteration 1306: trace = 2.412629752293523 (2.63894e-09% change) linmin: converged after 23 iterations. iteration 1307: trace = 2.412629752241498 (2.15634e-09% change) linmin: converged after 2 iterations. iteration 1308: trace = 2.412629752229971 (4.77805e-10% change) large trace change predicted (1.61003e-09%) linmin: converged after 18 iterations. iteration 1309: trace = 2.412629752191125 (1.61008e-09% change) linmin: converged after 2 iterations. iteration 1310: trace = 2.412629752176672 (5.99069e-10% change) linmin: converged after 12 iterations. iteration 1311: trace = 2.412629752167809 (3.67346e-10% change) linmin: converged after 19 iterations. iteration 1312: trace = 2.41262975215146 (6.77648e-10% change) linmin: converged after 5 iterations. iteration 1313: trace = 2.412629752119543 (1.32294e-09% change) linmin: converged after 17 iterations. iteration 1314: trace = 2.412629752104291 (6.32147e-10% change) large trace change predicted (2.22953e-09%) linmin: converged after 10 iterations. iteration 1315: trace = 2.412629752050501 (2.22953e-09% change) linmin: converged after 4 iterations. iteration 1316: trace = 2.41262975203415 (6.77704e-10% change) large trace change predicted (1.73052e-09%) linmin: converged after 4 iterations. iteration 1317: trace = 2.412629751992398 (1.73058e-09% change) large trace change predicted (3.80022e-09%) linmin: converged after 6 iterations. iteration 1318: trace = 2.412629751900716 (3.80009e-09% change) linmin: converged after 4 iterations. iteration 1319: trace = 2.412629751855262 (1.88398e-09% change) linmin: converged after 19 iterations. iteration 1320: trace = 2.412629751800265 (2.27956e-09% change) large trace change predicted (5.32944e-09%) linmin: converged after 21 iterations. iteration 1321: trace = 2.412629751671685 (5.32946e-09% change) linmin: converged after 8 iterations. iteration 1322: trace = 2.412629751644616 (1.12197e-09% change) linmin: converged after 10 iterations. iteration 1323: trace = 2.412629751601681 (1.77959e-09% change) linmin: converged after 4 iterations. iteration 1324: trace = 2.412629751544592 (2.36626e-09% change) linmin: converged after 12 iterations. iteration 1325: trace = 2.412629751534512 (4.17799e-10% change) large trace change predicted (2.02914e-09%) linmin: converged after 18 iterations. iteration 1326: trace = 2.412629751485556 (2.02913e-09% change) linmin: converged after 12 iterations. iteration 1327: trace = 2.412629751472368 (5.46647e-10% change) linmin: converged after 4 iterations. iteration 1328: trace = 2.412629751465104 (3.01062e-10% change) linmin: converged after 16 iterations. iteration 1329: trace = 2.412629751451304 (5.71993e-10% change) resetting CG direction... linmin: converged after 19 iterations. iteration 1330: trace = 2.412629751441995 (3.85844e-10% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.412629751436322 (2.35148e-10% change) large trace change predicted (4.92008e-10%) linmin: converged after 2 iterations. iteration 1332: trace = 2.41262975142445 (4.92089e-10% change) linmin: converged after 16 iterations. iteration 1333: trace = 2.412629751400893 (9.76392e-10% change) linmin: converged after 10 iterations. iteration 1334: trace = 2.412629751383613 (7.16247e-10% change) large trace change predicted (1.82443e-09%) linmin: converged after 13 iterations. iteration 1335: trace = 2.412629751339598 (1.82434e-09% change) linmin: converged after 6 iterations. iteration 1336: trace = 2.412629751322894 (6.92374e-10% change) large trace change predicted (2.07471e-09%) linmin: converged after 13 iterations. iteration 1337: trace = 2.412629751272838 (2.07475e-09% change) linmin: converged after 14 iterations. iteration 1338: trace = 2.412629751200171 (3.01191e-09% change) linmin: converged after 6 iterations. iteration 1339: trace = 2.412629751172607 (1.14251e-09% change) large trace change predicted (3.35386e-09%) linmin: converged after 11 iterations. iteration 1340: trace = 2.412629751091689 (3.35393e-09% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.412629751009129 (3.42196e-09% change) linmin: converged after 4 iterations. iteration 1342: trace = 2.412629750989969 (7.94182e-10% change) linmin: converged after 4 iterations. iteration 1343: trace = 2.412629750956418 (1.39062e-09% change) linmin: converged after 2 iterations. iteration 1344: trace = 2.412629750895868 (2.50974e-09% change) linmin: converged after 10 iterations. iteration 1345: trace = 2.412629750889071 (2.81717e-10% change) large trace change predicted (1.4371e-09%) linmin: converged after 4 iterations. iteration 1346: trace = 2.412629750854401 (1.43702e-09% change) linmin: converged after 7 iterations. iteration 1347: trace = 2.412629750839396 (6.21912e-10% change) linmin: converged after 3 iterations. iteration 1348: trace = 2.412629750832454 (2.87736e-10% change) linmin: converged after 4 iterations. iteration 1349: trace = 2.412629750819 (5.57672e-10% change) linmin: converged after 5 iterations. iteration 1350: trace = 2.412629750804569 (5.98131e-10% change) linmin: converged after 8 iterations. iteration 1351: trace = 2.412629750799901 (1.93474e-10% change) large trace change predicted (1.77238e-09%) linmin: converged after 17 iterations. iteration 1352: trace = 2.412629750757146 (1.77216e-09% change) linmin: converged after 12 iterations. iteration 1353: trace = 2.412629750720045 (1.53778e-09% change) linmin: converged after 6 iterations. iteration 1354: trace = 2.412629750702059 (7.45478e-10% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.412629750682192 (8.23467e-10% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.412629750651361 (1.27788e-09% change) linmin: converged after 9 iterations. iteration 1357: trace = 2.412629750630569 (8.61827e-10% change) large trace change predicted (2.62029e-09%) linmin: converged after 5 iterations. iteration 1358: trace = 2.412629750567349 (2.62036e-09% change) linmin: converged after 4 iterations. iteration 1359: trace = 2.412629750549673 (7.32648e-10% change) large trace change predicted (3.17057e-09%) linmin: converged after 4 iterations. iteration 1360: trace = 2.412629750473182 (3.17045e-09% change) linmin: converged after 19 iterations. iteration 1361: trace = 2.412629750403901 (2.87158e-09% change) linmin: converged after 21 iterations. iteration 1362: trace = 2.412629750312024 (3.80818e-09% change) linmin: converged after 26 iterations. iteration 1363: trace = 2.412629750243348 (2.84651e-09% change) linmin: converged after 15 iterations. iteration 1364: trace = 2.412629750215733 (1.14459e-09% change) large trace change predicted (2.99681e-09%) linmin: converged after 4 iterations. iteration 1365: trace = 2.412629750143431 (2.99682e-09% change) linmin: converged after 3 iterations. iteration 1366: trace = 2.412629750113363 (1.24629e-09% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.412629750103837 (3.94845e-10% change) large trace change predicted (1.79753e-09%) linmin: converged after 23 iterations. iteration 1368: trace = 2.412629750060469 (1.79754e-09% change) linmin: converged after 6 iterations. iteration 1369: trace = 2.412629750048949 (4.77474e-10% change) linmin: converged after 25 iterations. iteration 1370: trace = 2.412629750032419 (6.85158e-10% change) linmin: converged after 15 iterations. iteration 1371: trace = 2.412629750011623 (8.61956e-10% change) linmin: converged after 14 iterations. iteration 1372: trace = 2.412629750004998 (2.74575e-10% change) large trace change predicted (1.2595e-09%) linmin: converged after 7 iterations. iteration 1373: trace = 2.412629749974613 (1.25945e-09% change) linmin: converged after 2 iterations. iteration 1374: trace = 2.412629749959753 (6.15893e-10% change) linmin: converged after 12 iterations. iteration 1375: trace = 2.412629749952411 (3.04339e-10% change) large trace change predicted (1.64146e-09%) linmin: converged after 12 iterations. iteration 1376: trace = 2.412629749912809 (1.64143e-09% change) linmin: converged after 17 iterations. iteration 1377: trace = 2.412629749904083 (3.61695e-10% change) large trace change predicted (1.53902e-09%) linmin: converged after 5 iterations. iteration 1378: trace = 2.412629749866952 (1.539e-09% change) linmin: converged after 6 iterations. iteration 1379: trace = 2.412629749838286 (1.1882e-09% change) large trace change predicted (2.73749e-09%) linmin: converged after 21 iterations. iteration 1380: trace = 2.412629749772243 (2.73738e-09% change) linmin: converged after 5 iterations. iteration 1381: trace = 2.412629749756631 (6.47075e-10% change) large trace change predicted (3.6325e-09%) linmin: converged after 17 iterations. iteration 1382: trace = 2.41262974966899 (3.63259e-09% change) linmin: converged after 5 iterations. iteration 1383: trace = 2.412629749612043 (2.36038e-09% change) linmin: converged after 4 iterations. iteration 1384: trace = 2.412629749557288 (2.26951e-09% change) linmin: converged after 26 iterations. iteration 1385: trace = 2.412629749493279 (2.65309e-09% change) linmin: converged after 20 iterations. iteration 1386: trace = 2.412629749454938 (1.58919e-09% change) linmin: converged after 10 iterations. iteration 1387: trace = 2.412629749408137 (1.93982e-09% change) linmin: converged after 6 iterations. iteration 1388: trace = 2.412629749327676 (3.33499e-09% change) linmin: converged after 5 iterations. iteration 1389: trace = 2.412629749311012 (6.9068e-10% change) linmin: converged after 7 iterations. iteration 1390: trace = 2.41262974928682 (1.00273e-09% change) linmin: converged after 4 iterations. iteration 1391: trace = 2.412629749274504 (5.10496e-10% change) linmin: converged after 4 iterations. iteration 1392: trace = 2.412629749259505 (6.21655e-10% change) linmin: converged after 18 iterations. iteration 1393: trace = 2.412629749239148 (8.43807e-10% change) linmin: converged after 3 iterations. iteration 1394: trace = 2.412629749215643 (9.7422e-10% change) linmin: converged after 4 iterations. iteration 1395: trace = 2.412629749206566 (3.76254e-10% change) large trace change predicted (2.26574e-09%) linmin: converged after 2 iterations. iteration 1396: trace = 2.412629749151904 (2.26564e-09% change) large trace change predicted (1.16568e-08%) linmin: converged after 4 iterations. iteration 1397: trace = 2.412629748870666 (1.16569e-08% change) linmin: converged after 4 iterations. iteration 1398: trace = 2.412629748756963 (4.71284e-09% change) large trace change predicted (3.40752e-08%) linmin: converged after 4 iterations. iteration 1399: trace = 2.41262974793485 (3.40754e-08% change) resetting CG direction... linmin: converged after 13 iterations. iteration 1400: trace = 2.412629747609123 (1.35009e-08% change) linmin: converged after 4 iterations. iteration 1401: trace = 2.412629747566691 (1.75876e-09% change) large trace change predicted (6.23889e-09%) linmin: converged after 3 iterations. iteration 1402: trace = 2.412629747416172 (6.23876e-09% change) linmin: converged after 2 iterations. iteration 1403: trace = 2.412629747346273 (2.89724e-09% change) linmin: converged after 2 iterations. iteration 1404: trace = 2.412629747312993 (1.37941e-09% change) linmin: converged after 6 iterations. iteration 1405: trace = 2.412629747282349 (1.27013e-09% change) linmin: converged after 4 iterations. iteration 1406: trace = 2.412629747241782 (1.68147e-09% change) linmin: converged after 2 iterations. iteration 1407: trace = 2.412629747230548 (4.65638e-10% change) large trace change predicted (1.42629e-09%) linmin: converged after 3 iterations. iteration 1408: trace = 2.412629747196136 (1.42631e-09% change) linmin: converged after 4 iterations. iteration 1409: trace = 2.412629747184705 (4.73811e-10% change) linmin: converged after 12 iterations. iteration 1410: trace = 2.412629747166181 (7.67768e-10% change) linmin: converged after 7 iterations. iteration 1411: trace = 2.412629747155916 (4.25474e-10% change) linmin: converged after 3 iterations. iteration 1412: trace = 2.412629747150669 (2.17495e-10% change) linmin: converged after 3 iterations. iteration 1413: trace = 2.412629747144602 (2.51456e-10% change) linmin: converged after 8 iterations. iteration 1414: trace = 2.412629747134135 (4.3385e-10% change) linmin: converged after 6 iterations. iteration 1415: trace = 2.412629747130711 (1.41898e-10% change) large trace change predicted (6.10392e-10%) linmin: converged after 3 iterations. iteration 1416: trace = 2.412629747115985 (6.10371e-10% change) linmin: converged after 14 iterations. iteration 1417: trace = 2.412629747103849 (5.03022e-10% change) linmin: converged after 7 iterations. iteration 1418: trace = 2.412629747096434 (3.07376e-10% change) large trace change predicted (9.03859e-10%) linmin: converged after 15 iterations. iteration 1419: trace = 2.412629747074628 (9.03795e-10% change) linmin: converged after 4 iterations. iteration 1420: trace = 2.412629747044051 (1.26739e-09% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.412629747036468 (3.14315e-10% change) large trace change predicted (1.66292e-09%) linmin: converged after 10 iterations. iteration 1422: trace = 2.412629746996349 (1.66286e-09% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.412629746985881 (4.33905e-10% change) linmin: converged after 3 iterations. iteration 1424: trace = 2.412629746969449 (6.81054e-10% change) linmin: converged after 4 iterations. iteration 1425: trace = 2.412629746945281 (1.00176e-09% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.412629746929147 (6.68721e-10% change) linmin: converged after 7 iterations. iteration 1427: trace = 2.412629746926041 (1.28719e-10% change) linmin: converged after 4 iterations. iteration 1428: trace = 2.412629746921242 (1.98923e-10% change) linmin: converged after 7 iterations. iteration 1429: trace = 2.412629746912748 (3.52049e-10% change) linmin: converged after 3 iterations. iteration 1430: trace = 2.412629746905693 (2.9243e-10% change) linmin: converged after 4 iterations. iteration 1431: trace = 2.412629746902486 (1.32953e-10% change) large trace change predicted (4.34248e-10%) linmin: converged after 11 iterations. iteration 1432: trace = 2.412629746892007 (4.34328e-10% change) linmin: converged after 13 iterations. iteration 1433: trace = 2.412629746890513 (6.19207e-11% change) Finished solving for bands 1 to 10 after 1433 iterations. tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 elapsed time for k point: 12.025022983551025 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.507713985909253 (1.59188% change) linmin: converged after 4 iterations. iteration 2: trace = 2.485279161564237 (0.898652% change) linmin: converged after 4 iterations. iteration 3: trace = 2.473300433001331 (0.483152% change) linmin: converged after 4 iterations. iteration 4: trace = 2.471538512190564 (0.071263% change) large trace change predicted (0.219371%) linmin: converged after 3 iterations. iteration 5: trace = 2.466059289837871 (0.221939% change) linmin: converged after 4 iterations. iteration 6: trace = 2.464717523270199 (0.0544241% change) linmin: converged after 4 iterations. iteration 7: trace = 2.46363578384327 (0.0438986% change) linmin: converged after 3 iterations. iteration 8: trace = 2.462593076611024 (0.0423329% change) linmin: converged after 4 iterations. iteration 9: trace = 2.462286932461276 (0.0124326% change) linmin: converged after 3 iterations. iteration 10: trace = 2.461752162924051 (0.0217208% change) linmin: converged after 4 iterations. iteration 11: trace = 2.461484370670815 (0.0108787% change) linmin: converged after 3 iterations. iteration 12: trace = 2.461340116065417 (0.00586064% change) large trace change predicted (0.0129832%) linmin: converged after 3 iterations. iteration 13: trace = 2.461019984093813 (0.0130073% change) linmin: converged after 3 iterations. iteration 14: trace = 2.460939639245447 (0.00326475% change) large trace change predicted (0.0070093%) linmin: converged after 3 iterations. iteration 15: trace = 2.460767349107734 (0.00700124% change) linmin: converged after 4 iterations. iteration 16: trace = 2.460655437132787 (0.00454795% change) linmin: converged after 4 iterations. iteration 17: trace = 2.460570973723221 (0.00343262% change) linmin: converged after 3 iterations. iteration 18: trace = 2.460446786303572 (0.00504723% change) linmin: converged after 4 iterations. iteration 19: trace = 2.460369613396028 (0.00313659% change) large trace change predicted (0.00795679%) linmin: converged after 4 iterations. iteration 20: trace = 2.460173576143728 (0.00796811% change) linmin: converged after 4 iterations. iteration 21: trace = 2.459919542489344 (0.0103264% change) linmin: converged after 4 iterations. iteration 22: trace = 2.459712837233604 (0.00840328% change) linmin: converged after 4 iterations. iteration 23: trace = 2.459365499297269 (0.0141221% change) linmin: converged after 3 iterations. iteration 24: trace = 2.459091691742681 (0.0111339% change) linmin: converged after 4 iterations. iteration 25: trace = 2.458658850278316 (0.0176032% change) linmin: converged after 4 iterations. iteration 26: trace = 2.45837578815362 (0.0115135% change) linmin: converged after 4 iterations. iteration 27: trace = 2.458262680161734 (0.00460103% change) large trace change predicted (0.0113358%) linmin: converged after 4 iterations. iteration 28: trace = 2.457986293200407 (0.0112438% change) linmin: converged after 4 iterations. iteration 29: trace = 2.457774366463829 (0.00862234% change) linmin: converged after 4 iterations. iteration 30: trace = 2.457671503282361 (0.0041853% change) linmin: converged after 4 iterations. iteration 31: trace = 2.457500671235163 (0.00695121% change) linmin: converged after 4 iterations. iteration 32: trace = 2.457364690361219 (0.00553345% change) linmin: converged after 4 iterations. iteration 33: trace = 2.457316173045923 (0.00197438% change) large trace change predicted (0.0049619%) linmin: converged after 4 iterations. iteration 34: trace = 2.457194684027967 (0.00494409% change) linmin: converged after 4 iterations. iteration 35: trace = 2.457143235304573 (0.00209382% change) linmin: converged after 4 iterations. iteration 36: trace = 2.457081169049488 (0.00252598% change) linmin: converged after 3 iterations. iteration 37: trace = 2.457025704678373 (0.00225735% change) linmin: converged after 3 iterations. iteration 38: trace = 2.4569835796467 (0.00171449% change) linmin: converged after 3 iterations. iteration 39: trace = 2.456938445896089 (0.00183697% change) linmin: converged after 3 iterations. iteration 40: trace = 2.456868651029056 (0.00284077% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456832201357737 (0.00148359% change) linmin: converged after 3 iterations. iteration 42: trace = 2.456762746387228 (0.00282705% change) linmin: converged after 3 iterations. iteration 43: trace = 2.456633754385877 (0.00525062% change) linmin: converged after 3 iterations. iteration 44: trace = 2.456571978694712 (0.00251468% change) linmin: converged after 3 iterations. iteration 45: trace = 2.456460127600202 (0.00455324% change) large trace change predicted (0.00975227%) linmin: converged after 4 iterations. iteration 46: trace = 2.456217913606074 (0.00986077% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456161011874888 (0.00231667% change) large trace change predicted (0.0100951%) linmin: converged after 4 iterations. iteration 48: trace = 2.455910183905917 (0.0102127% change) linmin: converged after 3 iterations. iteration 49: trace = 2.455766265407017 (0.00586026% change) linmin: converged after 3 iterations. iteration 50: trace = 2.455707449206866 (0.00239505% change) large trace change predicted (0.00907682%) linmin: converged after 3 iterations. iteration 51: trace = 2.455483823273219 (0.00910679% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455406692493493 (0.00314121% change) linmin: converged after 5 iterations. iteration 53: trace = 2.45534500656597 (0.00251228% change) large trace change predicted (0.00508812%) linmin: converged after 3 iterations. iteration 54: trace = 2.455219784774919 (0.0051001% change) linmin: converged after 3 iterations. iteration 55: trace = 2.455179404957257 (0.00164467% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455132067683953 (0.00192808% change) linmin: converged after 3 iterations. iteration 57: trace = 2.455082993179066 (0.00199887% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455065990994846 (0.000692532% change) linmin: converged after 4 iterations. iteration 59: trace = 2.455039195062922 (0.00109146% change) linmin: converged after 3 iterations. iteration 60: trace = 2.45500771118878 (0.00128243% change) linmin: converged after 4 iterations. iteration 61: trace = 2.454994438728737 (0.00054063% change) large trace change predicted (0.00171818%) linmin: converged after 3 iterations. iteration 62: trace = 2.454952189992032 (0.00172094% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454876585849618 (0.00307971% change) linmin: converged after 3 iterations. iteration 64: trace = 2.454854300869789 (0.000907788% change) large trace change predicted (0.00569488%) linmin: converged after 4 iterations. iteration 65: trace = 2.454714694019299 (0.00568713% change) linmin: converged after 3 iterations. iteration 66: trace = 2.454624975040771 (0.00365503% change) linmin: converged after 4 iterations. iteration 67: trace = 2.45457530223749 (0.00202366% change) large trace change predicted (0.0062657%) linmin: converged after 4 iterations. iteration 68: trace = 2.454421988937807 (0.00624622% change) linmin: converged after 3 iterations. iteration 69: trace = 2.454353550269073 (0.00278842% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.454327016494556 (0.0010811% change) linmin: converged after 3 iterations. iteration 71: trace = 2.454277390885514 (0.00202198% change) linmin: converged after 3 iterations. iteration 72: trace = 2.454243048471604 (0.0013993% change) linmin: converged after 5 iterations. iteration 73: trace = 2.454222272437312 (0.000846539% change) linmin: converged after 9 iterations. iteration 74: trace = 2.454184860170908 (0.00152442% change) linmin: converged after 4 iterations. iteration 75: trace = 2.454170636275528 (0.000579579% change) linmin: converged after 5 iterations. iteration 76: trace = 2.454152682757256 (0.000731554% change) linmin: converged after 5 iterations. iteration 77: trace = 2.454135393107265 (0.000704508% change) linmin: converged after 3 iterations. iteration 78: trace = 2.454127763230099 (0.000310899% change) linmin: converged after 6 iterations. iteration 79: trace = 2.454116641207926 (0.000453198% change) linmin: converged after 3 iterations. iteration 80: trace = 2.454100874828616 (0.000642448% change) linmin: converged after 3 iterations. iteration 81: trace = 2.454095378223422 (0.000223977% change) large trace change predicted (0.000568781%) linmin: converged after 3 iterations. iteration 82: trace = 2.454081421269703 (0.000568723% change) linmin: converged after 3 iterations. iteration 83: trace = 2.454062352865409 (0.000777011% change) linmin: converged after 6 iterations. iteration 84: trace = 2.45405109984487 (0.000458548% change) linmin: converged after 3 iterations. iteration 85: trace = 2.454030977801129 (0.000819955% change) linmin: converged after 5 iterations. iteration 86: trace = 2.454004108702677 (0.0010949% change) linmin: converged after 3 iterations. iteration 87: trace = 2.453991364569639 (0.000519321% change) large trace change predicted (0.00138482%) linmin: converged after 4 iterations. iteration 88: trace = 2.45395739259282 (0.00138437% change) linmin: converged after 6 iterations. iteration 89: trace = 2.453918823166042 (0.00157174% change) linmin: converged after 3 iterations. iteration 90: trace = 2.45389448882618 (0.000991657% change) linmin: converged after 4 iterations. iteration 91: trace = 2.453860285099449 (0.00139386% change) linmin: converged after 4 iterations. iteration 92: trace = 2.453827450047189 (0.00133811% change) linmin: converged after 3 iterations. iteration 93: trace = 2.453820252857478 (0.000293305% change) large trace change predicted (0.0012793%) linmin: converged after 4 iterations. iteration 94: trace = 2.453788863224406 (0.00127922% change) linmin: converged after 4 iterations. iteration 95: trace = 2.453781946499955 (0.00028188% change) large trace change predicted (0.000821764%) linmin: converged after 6 iterations. iteration 96: trace = 2.453761797235113 (0.000821155% change) linmin: converged after 3 iterations. iteration 97: trace = 2.453746361645881 (0.00062906% change) linmin: converged after 3 iterations. iteration 98: trace = 2.453733612248639 (0.00051959% change) linmin: converged after 7 iterations. iteration 99: trace = 2.453727671009575 (0.000242131% change) large trace change predicted (0.000528031%) linmin: converged after 4 iterations. iteration 100: trace = 2.453714712926722 (0.000528099% change) linmin: converged after 4 iterations. iteration 101: trace = 2.453708305626924 (0.000261127% change) linmin: converged after 3 iterations. iteration 102: trace = 2.453701076402193 (0.000294625% change) large trace change predicted (0.00065191%) linmin: converged after 4 iterations. iteration 103: trace = 2.453685087330305 (0.000651633% change) linmin: converged after 3 iterations. iteration 104: trace = 2.453674225179957 (0.000442688% change) large trace change predicted (0.000944268%) linmin: converged after 3 iterations. iteration 105: trace = 2.453651066587232 (0.000943838% change) large trace change predicted (0.00209471%) linmin: converged after 4 iterations. iteration 106: trace = 2.453599505384211 (0.00210143% change) linmin: converged after 5 iterations. iteration 107: trace = 2.453582835442093 (0.00067941% change) large trace change predicted (0.00176196%) linmin: converged after 3 iterations. iteration 108: trace = 2.453539425951453 (0.00176924% change) linmin: converged after 3 iterations. iteration 109: trace = 2.45347778408187 (0.0025124% change) linmin: converged after 4 iterations. iteration 110: trace = 2.453464638519382 (0.000535794% change) large trace change predicted (0.00221849%) linmin: converged after 3 iterations. iteration 111: trace = 2.453410122390943 (0.00222203% change) linmin: converged after 4 iterations. iteration 112: trace = 2.453385543652673 (0.00100182% change) linmin: converged after 3 iterations. iteration 113: trace = 2.453376194131596 (0.000381087% change) large trace change predicted (0.00112562%) linmin: converged after 10 iterations. iteration 114: trace = 2.453348578245827 (0.00112563% change) linmin: converged after 3 iterations. iteration 115: trace = 2.453338345520876 (0.000417093% change) linmin: converged after 6 iterations. iteration 116: trace = 2.453328301306341 (0.000409411% change) linmin: converged after 3 iterations. iteration 117: trace = 2.453315434920004 (0.000524448% change) linmin: converged after 3 iterations. iteration 118: trace = 2.453301865852209 (0.000553093% change) linmin: converged after 3 iterations. iteration 119: trace = 2.453295841849039 (0.000245547% change) large trace change predicted (0.000595206%) linmin: converged after 4 iterations. iteration 120: trace = 2.453281236975756 (0.000595318% change) linmin: converged after 3 iterations. iteration 121: trace = 2.453275432046294 (0.000236619% change) large trace change predicted (0.000476219%) linmin: converged after 3 iterations. iteration 122: trace = 2.453263754904908 (0.000475983% change) linmin: converged after 4 iterations. iteration 123: trace = 2.453247003676034 (0.000682816% change) linmin: converged after 4 iterations. iteration 124: trace = 2.453236665069777 (0.000421426% change) large trace change predicted (0.00103912%) linmin: converged after 3 iterations. iteration 125: trace = 2.453211127274053 (0.00104099% change) linmin: converged after 3 iterations. iteration 126: trace = 2.453161537989081 (0.00202142% change) linmin: converged after 3 iterations. iteration 127: trace = 2.453137345994403 (0.000986161% change) large trace change predicted (0.00307389%) linmin: converged after 3 iterations. iteration 128: trace = 2.453061652253304 (0.00308564% change) linmin: converged after 3 iterations. iteration 129: trace = 2.452970789505381 (0.00370412% change) linmin: converged after 4 iterations. iteration 130: trace = 2.452952081275762 (0.000762679% change) linmin: converged after 3 iterations. iteration 131: trace = 2.452919556217591 (0.00132596% change) linmin: converged after 3 iterations. iteration 132: trace = 2.45289705839666 (0.00091719% change) linmin: converged after 3 iterations. iteration 133: trace = 2.452890291786226 (0.000275862% change) large trace change predicted (0.0012815%) linmin: converged after 3 iterations. iteration 134: trace = 2.45285884203567 (0.00128216% change) linmin: converged after 3 iterations. iteration 135: trace = 2.452842142353985 (0.000680828% change) linmin: converged after 5 iterations. iteration 136: trace = 2.452828597087275 (0.000552229% change) linmin: converged after 4 iterations. iteration 137: trace = 2.452814237817685 (0.000585418% change) linmin: converged after 4 iterations. iteration 138: trace = 2.452797884596636 (0.000666715% change) linmin: converged after 3 iterations. iteration 139: trace = 2.452782688814807 (0.00061953% change) resetting CG direction... linmin: converged after 6 iterations. iteration 140: trace = 2.452772570838299 (0.000412511% change) linmin: converged after 3 iterations. iteration 141: trace = 2.452765277704286 (0.000297343% change) linmin: converged after 3 iterations. iteration 142: trace = 2.452757177275971 (0.000330258% change) linmin: converged after 3 iterations. iteration 143: trace = 2.45275054020818 (0.000270597% change) linmin: converged after 6 iterations. iteration 144: trace = 2.452740078102712 (0.000426547% change) linmin: converged after 3 iterations. iteration 145: trace = 2.452727557207261 (0.000510487% change) linmin: converged after 18 iterations. iteration 146: trace = 2.452721545794444 (0.000245091% change) large trace change predicted (0.000699793%) linmin: converged after 7 iterations. iteration 147: trace = 2.45270438334119 (0.000699733% change) linmin: converged after 4 iterations. iteration 148: trace = 2.452683587709759 (0.000847869% change) linmin: converged after 3 iterations. iteration 149: trace = 2.45267548035887 (0.000330551% change) large trace change predicted (0.000951637%) linmin: converged after 4 iterations. iteration 150: trace = 2.452652194608251 (0.000949407% change) linmin: converged after 5 iterations. iteration 151: trace = 2.452626253195069 (0.00105769% change) linmin: converged after 3 iterations. iteration 152: trace = 2.452610439822919 (0.000644755% change) linmin: converged after 4 iterations. iteration 153: trace = 2.452596637962825 (0.000562743% change) linmin: converged after 7 iterations. iteration 154: trace = 2.452581427899597 (0.000620164% change) linmin: converged after 6 iterations. iteration 155: trace = 2.452577712274604 (0.000151499% change) large trace change predicted (0.000381839%) linmin: converged after 7 iterations. iteration 156: trace = 2.452568349809934 (0.000381741% change) linmin: converged after 4 iterations. iteration 157: trace = 2.452559675257392 (0.000353693% change) linmin: converged after 4 iterations. iteration 158: trace = 2.45255737876787 (9.36365e-05% change) large trace change predicted (0.000272619%) linmin: converged after 4 iterations. iteration 159: trace = 2.45255069313247 (0.000272599% change) linmin: converged after 3 iterations. iteration 160: trace = 2.452546275616604 (0.000180119% change) linmin: converged after 3 iterations. iteration 161: trace = 2.452544527278531 (7.12867e-05% change) large trace change predicted (0.000198491%) linmin: converged after 4 iterations. iteration 162: trace = 2.452539659430474 (0.000198482% change) linmin: converged after 3 iterations. iteration 163: trace = 2.452534999193734 (0.000190017% change) linmin: converged after 5 iterations. iteration 164: trace = 2.452531349661507 (0.000148807% change) linmin: converged after 3 iterations. iteration 165: trace = 2.452525840176924 (0.000224645% change) linmin: converged after 3 iterations. iteration 166: trace = 2.45251659721641 (0.000376876% change) linmin: converged after 3 iterations. iteration 167: trace = 2.452512716096344 (0.000158251% change) large trace change predicted (0.000782672%) linmin: converged after 3 iterations. iteration 168: trace = 2.452493494599059 (0.00078375% change) linmin: converged after 3 iterations. iteration 169: trace = 2.452486808577861 (0.000272622% change) large trace change predicted (0.000588015%) linmin: converged after 3 iterations. iteration 170: trace = 2.452472378944101 (0.000588369% change) linmin: converged after 3 iterations. iteration 171: trace = 2.452455774176158 (0.000677065% change) linmin: converged after 3 iterations. iteration 172: trace = 2.452448229987636 (0.000307618% change) linmin: converged after 3 iterations. iteration 173: trace = 2.452434929310388 (0.000542344% change) linmin: converged after 3 iterations. iteration 174: trace = 2.452422235944708 (0.000517583% change) linmin: converged after 3 iterations. iteration 175: trace = 2.452418708502169 (0.000143835% change) large trace change predicted (0.000386489%) linmin: converged after 3 iterations. iteration 176: trace = 2.452409228696467 (0.00038655% change) linmin: converged after 3 iterations. iteration 177: trace = 2.45240024885704 (0.000366165% change) linmin: converged after 4 iterations. iteration 178: trace = 2.452397991151999 (9.20611e-05% change) large trace change predicted (0.000271156%) linmin: converged after 3 iterations. iteration 179: trace = 2.452391339126951 (0.000271246% change) linmin: converged after 3 iterations. iteration 180: trace = 2.452386970176984 (0.000178151% change) linmin: converged after 3 iterations. iteration 181: trace = 2.452385697130597 (5.19105e-05% change) large trace change predicted (0.000170125%) linmin: converged after 3 iterations. iteration 182: trace = 2.452381525032257 (0.000170124% change) linmin: converged after 3 iterations. iteration 183: trace = 2.452378255486216 (0.000133321% change) linmin: converged after 3 iterations. iteration 184: trace = 2.452377028242287 (5.0043e-05% change) large trace change predicted (0.000164555%) linmin: converged after 3 iterations. iteration 185: trace = 2.452372992755737 (0.000164554% change) linmin: converged after 4 iterations. iteration 186: trace = 2.452368850383033 (0.000168913% change) linmin: converged after 3 iterations. iteration 187: trace = 2.452366912889036 (7.9005e-05% change) large trace change predicted (0.000417383%) linmin: converged after 7 iterations. iteration 188: trace = 2.452356678344031 (0.000417334% change) linmin: converged after 3 iterations. iteration 189: trace = 2.452350276352157 (0.000261055% change) linmin: converged after 4 iterations. iteration 190: trace = 2.452345971237587 (0.000175551% change) large trace change predicted (0.000560503%) linmin: converged after 4 iterations. iteration 191: trace = 2.452332231135114 (0.000560286% change) linmin: converged after 4 iterations. iteration 192: trace = 2.452329110713686 (0.000127243% change) large trace change predicted (0.00045039%) linmin: converged after 3 iterations. iteration 193: trace = 2.452318069706833 (0.000450226% change) linmin: converged after 5 iterations. iteration 194: trace = 2.452310488056405 (0.000309163% change) linmin: converged after 3 iterations. iteration 195: trace = 2.452306394220442 (0.000166938% change) linmin: converged after 5 iterations. iteration 196: trace = 2.452300351418192 (0.000246413% change) linmin: converged after 4 iterations. iteration 197: trace = 2.452293868489042 (0.000264361% change) linmin: converged after 3 iterations. iteration 198: trace = 2.452292566759137 (5.30821e-05% change) large trace change predicted (0.000201454%) linmin: converged after 3 iterations. iteration 199: trace = 2.45228762671193 (0.000201446% change) linmin: converged after 3 iterations. iteration 200: trace = 2.452285322655437 (9.39554e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.452284130416469 (4.86175e-05% change) large trace change predicted (0.000116573%) linmin: converged after 3 iterations. iteration 202: trace = 2.452281271627409 (0.000116577% change) linmin: converged after 3 iterations. iteration 203: trace = 2.452278294145548 (0.000121417% change) linmin: converged after 4 iterations. iteration 204: trace = 2.452277204502076 (4.44339e-05% change) large trace change predicted (0.000108693%) linmin: converged after 3 iterations. iteration 205: trace = 2.45227453846246 (0.000108717% change) linmin: converged after 5 iterations. iteration 206: trace = 2.452269291426804 (0.000213966% change) linmin: converged after 3 iterations. iteration 207: trace = 2.452267662169495 (6.64388e-05% change) large trace change predicted (0.000296096%) linmin: converged after 3 iterations. iteration 208: trace = 2.452260396215607 (0.000296296% change) linmin: converged after 3 iterations. iteration 209: trace = 2.45225166485298 (0.000356054% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.452247439278862 (0.000172314% change) linmin: converged after 7 iterations. iteration 211: trace = 2.452239779758671 (0.000312347% change) linmin: converged after 3 iterations. iteration 212: trace = 2.452237367957184 (9.8351e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.452234809025892 (0.000104351% change) linmin: converged after 15 iterations. iteration 214: trace = 2.452231354286834 (0.000140881% change) linmin: converged after 3 iterations. iteration 215: trace = 2.452230005968953 (5.49833e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.452227905128951 (8.56706e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.452225535367658 (9.66371e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.452224453689048 (4.41101e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.452222322762348 (8.68977e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.452219719417787 (0.000106163% change) linmin: converged after 3 iterations. iteration 221: trace = 2.452218183218178 (6.26453e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.452216459608282 (7.02878e-05% change) large trace change predicted (0.000179911%) linmin: converged after 5 iterations. iteration 223: trace = 2.452212045492919 (0.000180005% change) linmin: converged after 4 iterations. iteration 224: trace = 2.452210586190468 (5.95097e-05% change) large trace change predicted (0.000210216%) linmin: converged after 3 iterations. iteration 225: trace = 2.452205427108979 (0.000210385% change) linmin: converged after 4 iterations. iteration 226: trace = 2.452199607805635 (0.000237309% change) linmin: converged after 5 iterations. iteration 227: trace = 2.452195910523776 (0.000150774% change) linmin: converged after 3 iterations. iteration 228: trace = 2.452193302147046 (0.000106369% change) large trace change predicted (0.000330405%) linmin: converged after 4 iterations. iteration 229: trace = 2.45218519915589 (0.000330439% change) linmin: converged after 7 iterations. iteration 230: trace = 2.45218126004048 (0.000160637% change) linmin: converged after 3 iterations. iteration 231: trace = 2.452177953320755 (0.000134848% change) linmin: converged after 3 iterations. iteration 232: trace = 2.452171855617065 (0.000248665% change) linmin: converged after 4 iterations. iteration 233: trace = 2.452170729833905 (4.59096e-05% change) large trace change predicted (0.000155844%) linmin: converged after 3 iterations. iteration 234: trace = 2.452166905938778 (0.000155939% change) linmin: converged after 3 iterations. iteration 235: trace = 2.452164946747112 (7.98964e-05% change) linmin: converged after 4 iterations. iteration 236: trace = 2.452163392132787 (6.33976e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.452162131133532 (5.1424e-05% change) large trace change predicted (0.000129359%) linmin: converged after 3 iterations. iteration 238: trace = 2.452158958413194 (0.000129385% change) linmin: converged after 3 iterations. iteration 239: trace = 2.452158275174888 (2.78627e-05% change) large trace change predicted (0.00012237%) linmin: converged after 3 iterations. iteration 240: trace = 2.452155274307407 (0.000122377% change) linmin: converged after 9 iterations. iteration 241: trace = 2.452152615587393 (0.000108424% change) linmin: converged after 4 iterations. iteration 242: trace = 2.452151636431322 (3.99305e-05% change) large trace change predicted (0.000164569%) linmin: converged after 12 iterations. iteration 243: trace = 2.452147601355149 (0.000164553% change) linmin: converged after 5 iterations. iteration 244: trace = 2.452144621795718 (0.000121508% change) linmin: converged after 3 iterations. iteration 245: trace = 2.452142412523164 (9.00956e-05% change) large trace change predicted (0.000214265%) linmin: converged after 3 iterations. iteration 246: trace = 2.452137160888456 (0.000214165% change) linmin: converged after 3 iterations. iteration 247: trace = 2.452129275312435 (0.00032158% change) linmin: converged after 6 iterations. iteration 248: trace = 2.452126372462974 (0.000118381% change) large trace change predicted (0.000459561%) linmin: converged after 14 iterations. iteration 249: trace = 2.452115115152491 (0.000459085% change) linmin: converged after 4 iterations. iteration 250: trace = 2.452111763758238 (0.000136674% change) large trace change predicted (0.000297415%) linmin: converged after 19 iterations. iteration 251: trace = 2.452104477533321 (0.000297141% change) linmin: converged after 3 iterations. iteration 252: trace = 2.452100076548783 (0.000179478% change) linmin: converged after 3 iterations. iteration 253: trace = 2.452096031095323 (0.000164979% change) linmin: converged after 5 iterations. iteration 254: trace = 2.452094830732901 (4.89525e-05% change) large trace change predicted (0.000113346%) linmin: converged after 3 iterations. iteration 255: trace = 2.452092051510675 (0.000113341% change) linmin: converged after 5 iterations. iteration 256: trace = 2.452090752207555 (5.29875e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.45208986655014 (3.61185e-05% change) large trace change predicted (0.000100902%) linmin: converged after 8 iterations. iteration 258: trace = 2.452087392480153 (0.000100896% change) linmin: converged after 22 iterations. iteration 259: trace = 2.452086383958461 (4.11291e-05% change) linmin: converged after 5 iterations. iteration 260: trace = 2.452085152469943 (5.02221e-05% change) linmin: converged after 4 iterations. iteration 261: trace = 2.452082753116231 (9.78496e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.452081334342666 (5.786e-05% change) large trace change predicted (0.000154627%) linmin: converged after 3 iterations. iteration 263: trace = 2.452077542649516 (0.000154632% change) linmin: converged after 4 iterations. iteration 264: trace = 2.452071671681119 (0.000239429% change) linmin: converged after 4 iterations. iteration 265: trace = 2.452069632272992 (8.31709e-05% change) large trace change predicted (0.000180755%) linmin: converged after 5 iterations. iteration 266: trace = 2.452065198993772 (0.000180798% change) linmin: converged after 7 iterations. iteration 267: trace = 2.452056950140556 (0.000336405% change) linmin: converged after 4 iterations. iteration 268: trace = 2.45205409803041 (0.000116315% change) large trace change predicted (0.000275497%) linmin: converged after 3 iterations. iteration 269: trace = 2.452047328173189 (0.00027609% change) linmin: converged after 3 iterations. iteration 270: trace = 2.452040138586268 (0.000293208% change) linmin: converged after 3 iterations. iteration 271: trace = 2.452038580574617 (6.35394e-05% change) large trace change predicted (0.0002236%) linmin: converged after 3 iterations. iteration 272: trace = 2.452033093357528 (0.000223782% change) linmin: converged after 3 iterations. iteration 273: trace = 2.452029212615683 (0.000158266% change) linmin: converged after 3 iterations. iteration 274: trace = 2.452028342406178 (3.54894e-05% change) large trace change predicted (9.60583e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.452025986550546 (9.60779e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.452024019452791 (8.02234e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.452023473159935 (2.22793e-05% change) large trace change predicted (0.000123007%) linmin: converged after 5 iterations. iteration 278: trace = 2.452020456805498 (0.000123015% change) linmin: converged after 4 iterations. iteration 279: trace = 2.45201452953042 (0.000241731% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.452009727461228 (0.000195842% change) linmin: converged after 4 iterations. iteration 281: trace = 2.452007540531449 (8.91893e-05% change) linmin: converged after 5 iterations. iteration 282: trace = 2.452006657649647 (3.60065e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.45200532183798 (5.44783e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.452003115505384 (8.99808e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.45200235583181 (3.09818e-05% change) large trace change predicted (8.11842e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.452000366439965 (8.11334e-05% change) linmin: converged after 12 iterations. iteration 287: trace = 2.451996418703733 (0.000161001% change) linmin: converged after 3 iterations. iteration 288: trace = 2.451995334938363 (4.41993e-05% change) large trace change predicted (0.000170194%) linmin: converged after 5 iterations. iteration 289: trace = 2.451991166288022 (0.000170011% change) linmin: converged after 4 iterations. iteration 290: trace = 2.451986280180539 (0.000199271% change) linmin: converged after 4 iterations. iteration 291: trace = 2.451984139544748 (8.73021e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.451980067482785 (0.000166072% change) linmin: converged after 7 iterations. iteration 293: trace = 2.451974677609453 (0.000219817% change) linmin: converged after 3 iterations. iteration 294: trace = 2.45197381669557 (3.5111e-05% change) large trace change predicted (0.000145934%) linmin: converged after 11 iterations. iteration 295: trace = 2.451970240797099 (0.000145838% change) linmin: converged after 4 iterations. iteration 296: trace = 2.451968866179818 (5.60618e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.451967957960132 (3.70404e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.451966311815795 (6.71357e-05% change) linmin: converged after 16 iterations. iteration 299: trace = 2.451965168062407 (4.66464e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.451964505865855 (2.70068e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.451963500671679 (4.09955e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.451962964343065 (2.18734e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.451962083481351 (3.59248e-05% change) large trace change predicted (7.403e-05%) linmin: converged after 3 iterations. iteration 304: trace = 2.451960267768574 (7.40514e-05% change) linmin: converged after 4 iterations. iteration 305: trace = 2.451959240259281 (4.19056e-05% change) linmin: converged after 4 iterations. iteration 306: trace = 2.45195840324676 (3.41365e-05% change) large trace change predicted (9.86787e-05%) linmin: converged after 4 iterations. iteration 307: trace = 2.451955982741342 (9.87173e-05% change) linmin: converged after 3 iterations. iteration 308: trace = 2.451953841268762 (8.73374e-05% change) linmin: converged after 4 iterations. iteration 309: trace = 2.45195130880107 (0.000103284% change) linmin: converged after 3 iterations. iteration 310: trace = 2.451947245150415 (0.000165731% change) linmin: converged after 3 iterations. iteration 311: trace = 2.451945802462522 (5.88385e-05% change) large trace change predicted (0.000140241%) linmin: converged after 5 iterations. iteration 312: trace = 2.451942362711292 (0.000140287% change) linmin: converged after 3 iterations. iteration 313: trace = 2.451939479922509 (0.000117572% change) linmin: converged after 3 iterations. iteration 314: trace = 2.451938683602901 (3.24771e-05% change) large trace change predicted (8.36285e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.451936632622227 (8.36473e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.451935089349582 (6.2941e-05% change) linmin: converged after 3 iterations. iteration 317: trace = 2.451934541920565 (2.23264e-05% change) large trace change predicted (6.49707e-05%) linmin: converged after 4 iterations. iteration 318: trace = 2.451932948678755 (6.4979e-05% change) linmin: converged after 3 iterations. iteration 319: trace = 2.45193165637232 (5.27056e-05% change) linmin: converged after 13 iterations. iteration 320: trace = 2.45193107924358 (2.35377e-05% change) linmin: converged after 4 iterations. iteration 321: trace = 2.451930344007868 (2.9986e-05% change) linmin: converged after 3 iterations. iteration 322: trace = 2.451929427592482 (3.73753e-05% change) linmin: converged after 2 iterations. iteration 323: trace = 2.451929215890909 (8.63408e-06% change) large trace change predicted (3.87992e-05%) linmin: converged after 4 iterations. iteration 324: trace = 2.451928264644343 (3.87958e-05% change) linmin: converged after 3 iterations. iteration 325: trace = 2.451927466356714 (3.25575e-05% change) linmin: converged after 4 iterations. iteration 326: trace = 2.451927088765477 (1.53998e-05% change) large trace change predicted (5.28495e-05%) linmin: converged after 3 iterations. iteration 327: trace = 2.451925793408558 (5.28302e-05% change) linmin: converged after 4 iterations. iteration 328: trace = 2.451924386804797 (5.73673e-05% change) linmin: converged after 3 iterations. iteration 329: trace = 2.451922993346532 (5.68312e-05% change) linmin: converged after 4 iterations. iteration 330: trace = 2.451921069340289 (7.84693e-05% change) linmin: converged after 3 iterations. iteration 331: trace = 2.451918495340491 (0.000104979% change) linmin: converged after 3 iterations. iteration 332: trace = 2.451917611962545 (3.6028e-05% change) large trace change predicted (9.67494e-05%) linmin: converged after 3 iterations. iteration 333: trace = 2.451915239937596 (9.67417e-05% change) linmin: converged after 7 iterations. iteration 334: trace = 2.451914264872701 (3.97675e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.451913114917563 (4.69003e-05% change) linmin: converged after 4 iterations. iteration 336: trace = 2.451911892528864 (4.98545e-05% change) linmin: converged after 3 iterations. iteration 337: trace = 2.451911121514247 (3.14455e-05% change) linmin: converged after 4 iterations. iteration 338: trace = 2.451910440461843 (2.77764e-05% change) linmin: converged after 18 iterations. iteration 339: trace = 2.451909413734949 (4.18746e-05% change) linmin: converged after 8 iterations. iteration 340: trace = 2.451909198007312 (8.79835e-06% change) large trace change predicted (2.18808e-05%) linmin: converged after 3 iterations. iteration 341: trace = 2.451908661399456 (2.18853e-05% change) linmin: converged after 5 iterations. iteration 342: trace = 2.451907853174074 (3.29631e-05% change) linmin: converged after 4 iterations. iteration 343: trace = 2.451907641293393 (8.64146e-06% change) large trace change predicted (2.56596e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.451907012099088 (2.56614e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.451906446585409 (2.30642e-05% change) linmin: converged after 4 iterations. iteration 346: trace = 2.45190615307573 (1.19707e-05% change) large trace change predicted (5.65781e-05%) linmin: converged after 4 iterations. iteration 347: trace = 2.451904765395973 (5.6596e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.451903258390157 (6.14627e-05% change) linmin: converged after 3 iterations. iteration 349: trace = 2.451902302053553 (3.90039e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.451901444021173 (3.49946e-05% change) linmin: converged after 3 iterations. iteration 351: trace = 2.451900268699934 (4.79351e-05% change) linmin: converged after 3 iterations. iteration 352: trace = 2.451899284761674 (4.01296e-05% change) linmin: converged after 2 iterations. iteration 353: trace = 2.451898802067656 (1.96865e-05% change) linmin: converged after 3 iterations. iteration 354: trace = 2.451898177608482 (2.54684e-05% change) linmin: converged after 2 iterations. iteration 355: trace = 2.45189768562931 (2.00652e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.45189745358336 (9.46393e-06% change) large trace change predicted (2.18607e-05%) linmin: converged after 3 iterations. iteration 357: trace = 2.451896917539232 (2.18624e-05% change) linmin: converged after 4 iterations. iteration 358: trace = 2.451896216910838 (2.8575e-05% change) linmin: converged after 4 iterations. iteration 359: trace = 2.451896071765771 (5.91971e-06% change) large trace change predicted (2.86503e-05%) linmin: converged after 3 iterations. iteration 360: trace = 2.45189536910911 (2.86577e-05% change) linmin: converged after 4 iterations. iteration 361: trace = 2.451894829568567 (2.2005e-05% change) linmin: converged after 4 iterations. iteration 362: trace = 2.451894548518837 (1.14626e-05% change) large trace change predicted (3.82963e-05%) linmin: converged after 3 iterations. iteration 363: trace = 2.451893609166292 (3.83113e-05% change) linmin: converged after 3 iterations. iteration 364: trace = 2.451892360793373 (5.09147e-05% change) linmin: converged after 3 iterations. iteration 365: trace = 2.451891978130545 (1.56068e-05% change) large trace change predicted (5.50288e-05%) linmin: converged after 3 iterations. iteration 366: trace = 2.451890628136772 (5.50593e-05% change) linmin: converged after 3 iterations. iteration 367: trace = 2.451889379817075 (5.09125e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.451888895783192 (1.97413e-05% change) large trace change predicted (7.53296e-05%) linmin: converged after 3 iterations. iteration 369: trace = 2.451887047454882 (7.53839e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.451885659953243 (5.65891e-05% change) linmin: converged after 3 iterations. iteration 371: trace = 2.451885088224141 (2.33179e-05% change) large trace change predicted (5.25593e-05%) linmin: converged after 3 iterations. iteration 372: trace = 2.451883799252872 (5.25706e-05% change) linmin: converged after 3 iterations. iteration 373: trace = 2.451882959846034 (3.42352e-05% change) linmin: converged after 2 iterations. iteration 374: trace = 2.451882637851984 (1.31325e-05% change) large trace change predicted (2.6608e-05%) linmin: converged after 4 iterations. iteration 375: trace = 2.451881985403601 (2.66101e-05% change) linmin: converged after 4 iterations. iteration 376: trace = 2.451881666409702 (1.30102e-05% change) linmin: converged after 3 iterations. iteration 377: trace = 2.451881424707288 (9.85783e-06% change) large trace change predicted (2.79728e-05%) linmin: converged after 3 iterations. iteration 378: trace = 2.451880738799101 (2.79748e-05% change) linmin: converged after 4 iterations. iteration 379: trace = 2.451880312770379 (1.73756e-05% change) linmin: converged after 2 iterations. iteration 380: trace = 2.451879974325696 (1.38035e-05% change) large trace change predicted (3.59867e-05%) linmin: converged after 4 iterations. iteration 381: trace = 2.451879091948053 (3.59878e-05% change) linmin: converged after 3 iterations. iteration 382: trace = 2.451878586924512 (2.05974e-05% change) linmin: converged after 3 iterations. iteration 383: trace = 2.451877877061793 (2.89518e-05% change) linmin: converged after 3 iterations. iteration 384: trace = 2.451876608742854 (5.17285e-05% change) linmin: converged after 11 iterations. iteration 385: trace = 2.451875767688587 (3.43025e-05% change) linmin: converged after 3 iterations. iteration 386: trace = 2.451874978478529 (3.2188e-05% change) large trace change predicted (6.86527e-05%) linmin: converged after 4 iterations. iteration 387: trace = 2.451873296589411 (6.85961e-05% change) linmin: converged after 4 iterations. iteration 388: trace = 2.451871469758743 (7.45076e-05% change) linmin: converged after 4 iterations. iteration 389: trace = 2.451870287619347 (4.82138e-05% change) linmin: converged after 4 iterations. iteration 390: trace = 2.451868320179222 (8.02425e-05% change) linmin: converged after 3 iterations. iteration 391: trace = 2.451867693154867 (2.55733e-05% change) linmin: converged after 3 iterations. iteration 392: trace = 2.451866887621613 (3.28539e-05% change) linmin: converged after 8 iterations. iteration 393: trace = 2.451865955401389 (3.80208e-05% change) linmin: converged after 4 iterations. iteration 394: trace = 2.451865719980986 (9.60168e-06% change) large trace change predicted (1.96496e-05%) linmin: converged after 13 iterations. iteration 395: trace = 2.451865238246529 (1.96477e-05% change) linmin: converged after 4 iterations. iteration 396: trace = 2.451864655613975 (2.37628e-05% change) linmin: converged after 5 iterations. iteration 397: trace = 2.4518644474754 (8.48899e-06% change) large trace change predicted (1.99883e-05%) linmin: converged after 3 iterations. iteration 398: trace = 2.451863957428071 (1.99867e-05% change) linmin: converged after 3 iterations. iteration 399: trace = 2.451863487062912 (1.9184e-05% change) linmin: converged after 4 iterations. iteration 400: trace = 2.451863223688848 (1.07418e-05% change) linmin: converged after 3 iterations. iteration 401: trace = 2.451862707241005 (2.10635e-05% change) large trace change predicted (4.31309e-05%) linmin: converged after 3 iterations. iteration 402: trace = 2.451861649539083 (4.31387e-05% change) linmin: converged after 5 iterations. iteration 403: trace = 2.451861281443321 (1.50129e-05% change) large trace change predicted (4.96566e-05%) linmin: converged after 3 iterations. iteration 404: trace = 2.451860063359621 (4.968e-05% change) linmin: converged after 3 iterations. iteration 405: trace = 2.451858706397193 (5.53442e-05% change) linmin: converged after 4 iterations. iteration 406: trace = 2.451858184270854 (2.12951e-05% change) large trace change predicted (7.72358e-05%) linmin: converged after 5 iterations. iteration 407: trace = 2.451856289454036 (7.72809e-05% change) linmin: converged after 3 iterations. iteration 408: trace = 2.451854717228413 (6.41239e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.451854037873246 (2.77078e-05% change) linmin: converged after 3 iterations. iteration 410: trace = 2.451852767897514 (5.17966e-05% change) linmin: converged after 3 iterations. iteration 411: trace = 2.451851776527858 (4.04335e-05% change) linmin: converged after 3 iterations. iteration 412: trace = 2.451851360826138 (1.69546e-05% change) large trace change predicted (4.12842e-05%) linmin: converged after 3 iterations. iteration 413: trace = 2.451850348447989 (4.12904e-05% change) linmin: converged after 4 iterations. iteration 414: trace = 2.451849942354363 (1.65627e-05% change) linmin: converged after 3 iterations. iteration 415: trace = 2.451849601948214 (1.38836e-05% change) linmin: converged after 3 iterations. iteration 416: trace = 2.45184923699037 (1.4885e-05% change) linmin: converged after 3 iterations. iteration 417: trace = 2.4518487558609 (1.96231e-05% change) linmin: converged after 2 iterations. iteration 418: trace = 2.451848412291829 (1.40127e-05% change) large trace change predicted (0.00028451%) linmin: converged after 4 iterations. iteration 419: trace = 2.451841436317626 (0.000284519% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.451838601804798 (0.000115608% change) linmin: converged after 4 iterations. iteration 421: trace = 2.451836909973618 (6.90026e-05% change) linmin: converged after 4 iterations. iteration 422: trace = 2.451835802033676 (4.51882e-05% change) linmin: converged after 5 iterations. iteration 423: trace = 2.451835562032835 (9.78862e-06% change) linmin: converged after 2 iterations. iteration 424: trace = 2.451835215370466 (1.41389e-05% change) linmin: converged after 3 iterations. iteration 425: trace = 2.451834742223461 (1.92977e-05% change) linmin: converged after 2 iterations. iteration 426: trace = 2.451834622123581 (4.89837e-06% change) large trace change predicted (1.53283e-05%) linmin: converged after 5 iterations. iteration 427: trace = 2.451834246408475 (1.53238e-05% change) linmin: converged after 4 iterations. iteration 428: trace = 2.451833755519586 (2.00213e-05% change) linmin: converged after 3 iterations. iteration 429: trace = 2.451833441577055 (1.28044e-05% change) linmin: converged after 4 iterations. iteration 430: trace = 2.451832871304814 (2.3259e-05% change) linmin: converged after 3 iterations. iteration 431: trace = 2.451832128766152 (3.0285e-05% change) linmin: converged after 4 iterations. iteration 432: trace = 2.451831696871643 (1.76152e-05% change) large trace change predicted (4.8364e-05%) linmin: converged after 4 iterations. iteration 433: trace = 2.451830511790898 (4.83345e-05% change) linmin: converged after 3 iterations. iteration 434: trace = 2.451830084932789 (1.74098e-05% change) linmin: converged after 5 iterations. iteration 435: trace = 2.451829718368761 (1.49506e-05% change) large trace change predicted (3.22146e-05%) linmin: converged after 3 iterations. iteration 436: trace = 2.451828928830973 (3.2202e-05% change) linmin: converged after 4 iterations. iteration 437: trace = 2.451828555280068 (1.52356e-05% change) linmin: converged after 4 iterations. iteration 438: trace = 2.451828125337213 (1.75356e-05% change) linmin: converged after 5 iterations. iteration 439: trace = 2.451827555368756 (2.32467e-05% change) linmin: converged after 5 iterations. iteration 440: trace = 2.451827131496278 (1.7288e-05% change) linmin: converged after 4 iterations. iteration 441: trace = 2.451826837456072 (1.19927e-05% change) linmin: converged after 4 iterations. iteration 442: trace = 2.451826425024183 (1.68214e-05% change) linmin: converged after 2 iterations. iteration 443: trace = 2.451826327980715 (3.95801e-06% change) large trace change predicted (9.15843e-06%) linmin: converged after 2 iterations. iteration 444: trace = 2.451826103428814 (9.15856e-06% change) linmin: converged after 2 iterations. iteration 445: trace = 2.451825844898365 (1.05444e-05% change) linmin: converged after 3 iterations. iteration 446: trace = 2.451825711670842 (5.43381e-06% change) linmin: converged after 4 iterations. iteration 447: trace = 2.451825476833464 (9.57806e-06% change) linmin: converged after 6 iterations. iteration 448: trace = 2.45182523625104 (9.81238e-06% change) linmin: converged after 2 iterations. iteration 449: trace = 2.451825117673762 (4.83629e-06% change) large trace change predicted (1.42353e-05%) linmin: converged after 3 iterations. iteration 450: trace = 2.451824768562432 (1.42388e-05% change) large trace change predicted (2.8499e-05%) linmin: converged after 3 iterations. iteration 451: trace = 2.451824069375237 (2.8517e-05% change) linmin: converged after 2 iterations. iteration 452: trace = 2.451823856700439 (8.67415e-06% change) large trace change predicted (3.26671e-05%) linmin: converged after 4 iterations. iteration 453: trace = 2.451823055413986 (3.26812e-05% change) linmin: converged after 3 iterations. iteration 454: trace = 2.451822534632694 (2.12406e-05% change) linmin: converged after 4 iterations. iteration 455: trace = 2.451822278183291 (1.04595e-05% change) linmin: converged after 3 iterations. iteration 456: trace = 2.451821801070401 (1.94595e-05% change) linmin: converged after 3 iterations. iteration 457: trace = 2.451820979456362 (3.35104e-05% change) linmin: converged after 2 iterations. iteration 458: trace = 2.451820789967071 (7.72851e-06% change) large trace change predicted (1.9624e-05%) linmin: converged after 5 iterations. iteration 459: trace = 2.451820308753132 (1.96268e-05% change) linmin: converged after 4 iterations. iteration 460: trace = 2.451819974130427 (1.36479e-05% change) linmin: converged after 3 iterations. iteration 461: trace = 2.451819876449114 (3.98403e-06% change) large trace change predicted (9.35897e-06%) linmin: converged after 3 iterations. iteration 462: trace = 2.451819646985611 (9.35891e-06% change) linmin: converged after 6 iterations. iteration 463: trace = 2.451819501494014 (5.93403e-06% change) linmin: converged after 4 iterations. iteration 464: trace = 2.451819453452388 (1.95943e-06% change) large trace change predicted (7.48994e-06%) linmin: converged after 3 iterations. iteration 465: trace = 2.451819269819177 (7.48967e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.451819114108615 (6.35082e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.451819017209697 (3.95212e-06% change) linmin: converged after 5 iterations. iteration 468: trace = 2.451818837296233 (7.33796e-06% change) linmin: converged after 3 iterations. iteration 469: trace = 2.451818602208911 (9.58828e-06% change) linmin: converged after 2 iterations. iteration 470: trace = 2.451818356080005 (1.00386e-05% change) large trace change predicted (2.7634e-05%) linmin: converged after 3 iterations. iteration 471: trace = 2.451817678667935 (2.7629e-05% change) linmin: converged after 3 iterations. iteration 472: trace = 2.451817380165583 (1.21747e-05% change) linmin: converged after 4 iterations. iteration 473: trace = 2.451816898342992 (1.96517e-05% change) linmin: converged after 4 iterations. iteration 474: trace = 2.451816485475382 (1.68393e-05% change) linmin: converged after 3 iterations. iteration 475: trace = 2.4518162779371 (8.46467e-06% change) linmin: converged after 3 iterations. iteration 476: trace = 2.451816045785287 (9.46857e-06% change) linmin: converged after 11 iterations. iteration 477: trace = 2.451815700665402 (1.40761e-05% change) linmin: converged after 2 iterations. iteration 478: trace = 2.451815534090509 (6.79394e-06% change) linmin: converged after 4 iterations. iteration 479: trace = 2.451815426527374 (4.38708e-06% change) large trace change predicted (9.40697e-06%) linmin: converged after 3 iterations. iteration 480: trace = 2.451815195888033 (9.40688e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.451815151679409 (1.8031e-06% change) large trace change predicted (6.46819e-06%) linmin: converged after 3 iterations. iteration 482: trace = 2.451814993092279 (6.46815e-06% change) linmin: converged after 4 iterations. iteration 483: trace = 2.451814898769976 (3.84704e-06% change) linmin: converged after 3 iterations. iteration 484: trace = 2.451814821722924 (3.14245e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.451814729426451 (3.76441e-06% change) large trace change predicted (7.80835e-06%) linmin: converged after 2 iterations. iteration 486: trace = 2.451814537975693 (7.80853e-06% change) linmin: converged after 4 iterations. iteration 487: trace = 2.451814474613091 (2.58431e-06% change) large trace change predicted (8.30426e-06%) linmin: converged after 2 iterations. iteration 488: trace = 2.451814271007475 (8.30428e-06% change) linmin: converged after 2 iterations. iteration 489: trace = 2.451814039280148 (9.45126e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.45181397042017 (2.80853e-06% change) large trace change predicted (6.5636e-06%) linmin: converged after 3 iterations. iteration 491: trace = 2.451813809493573 (6.56357e-06% change) linmin: converged after 2 iterations. iteration 492: trace = 2.451813652401437 (6.40718e-06% change) linmin: converged after 2 iterations. iteration 493: trace = 2.451813593204902 (2.4144e-06% change) large trace change predicted (7.02741e-06%) linmin: converged after 2 iterations. iteration 494: trace = 2.451813420904794 (7.02746e-06% change) linmin: converged after 2 iterations. iteration 495: trace = 2.451813311925445 (4.44485e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.451813268333645 (1.77794e-06% change) large trace change predicted (4.48681e-06%) linmin: converged after 10 iterations. iteration 497: trace = 2.45181315832615 (4.48678e-06% change) linmin: converged after 6 iterations. iteration 498: trace = 2.451813072051939 (3.51879e-06% change) linmin: converged after 4 iterations. iteration 499: trace = 2.451812990208225 (3.33809e-06% change) linmin: converged after 3 iterations. iteration 500: trace = 2.451812851103136 (5.67356e-06% change) linmin: converged after 4 iterations. iteration 501: trace = 2.451812701797941 (6.08958e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.451812642402236 (2.42252e-06% change) large trace change predicted (1.08472e-05%) linmin: converged after 3 iterations. iteration 503: trace = 2.451812376423422 (1.08483e-05% change) linmin: converged after 3 iterations. iteration 504: trace = 2.45181219671429 (7.32964e-06% change) linmin: converged after 3 iterations. iteration 505: trace = 2.451812031888245 (6.72262e-06% change) large trace change predicted (1.47998e-05%) linmin: converged after 4 iterations. iteration 506: trace = 2.451811668983072 (1.48015e-05% change) linmin: converged after 3 iterations. iteration 507: trace = 2.451811535793213 (5.4323e-06% change) linmin: converged after 6 iterations. iteration 508: trace = 2.451811302711546 (9.50651e-06% change) large trace change predicted (2.01283e-05%) linmin: converged after 3 iterations. iteration 509: trace = 2.451810809150256 (2.01305e-05% change) linmin: converged after 3 iterations. iteration 510: trace = 2.451810555415283 (1.03489e-05% change) linmin: converged after 4 iterations. iteration 511: trace = 2.451810455292982 (4.08361e-06% change) large trace change predicted (1.04831e-05%) linmin: converged after 3 iterations. iteration 512: trace = 2.451810198235681 (1.04844e-05% change) linmin: converged after 2 iterations. iteration 513: trace = 2.451810123605975 (3.04386e-06% change) large trace change predicted (6.34359e-06%) linmin: converged after 3 iterations. iteration 514: trace = 2.451809968056701 (6.34426e-06% change) linmin: converged after 23 iterations. iteration 515: trace = 2.451809878185027 (3.66552e-06% change) linmin: converged after 2 iterations. iteration 516: trace = 2.45180979173746 (3.52587e-06% change) linmin: converged after 2 iterations. iteration 517: trace = 2.451809703055815 (3.61699e-06% change) linmin: converged after 3 iterations. iteration 518: trace = 2.451809546049716 (6.40368e-06% change) linmin: converged after 3 iterations. iteration 519: trace = 2.45180944165795 (4.25774e-06% change) linmin: converged after 8 iterations. iteration 520: trace = 2.451809368212193 (2.99557e-06% change) large trace change predicted (8.31118e-06%) linmin: converged after 4 iterations. iteration 521: trace = 2.451809164454754 (8.31049e-06% change) linmin: converged after 5 iterations. iteration 522: trace = 2.451808943771632 (9.00083e-06% change) linmin: converged after 2 iterations. iteration 523: trace = 2.451808847262238 (3.93625e-06% change) large trace change predicted (8.65338e-06%) linmin: converged after 13 iterations. iteration 524: trace = 2.451808635094025 (8.65354e-06% change) linmin: converged after 5 iterations. iteration 525: trace = 2.451808373553239 (1.06673e-05% change) linmin: converged after 3 iterations. iteration 526: trace = 2.451808269918728 (4.22686e-06% change) large trace change predicted (2.52299e-05%) linmin: converged after 3 iterations. iteration 527: trace = 2.451807651595333 (2.52191e-05% change) linmin: converged after 5 iterations. iteration 528: trace = 2.451807165020936 (1.98455e-05% change) linmin: converged after 3 iterations. iteration 529: trace = 2.451807010632332 (6.29693e-06% change) linmin: converged after 3 iterations. iteration 530: trace = 2.451806790750918 (8.96814e-06% change) linmin: converged after 3 iterations. iteration 531: trace = 2.451806587138382 (8.30459e-06% change) linmin: converged after 3 iterations. iteration 532: trace = 2.451806541745118 (1.85142e-06% change) large trace change predicted (7.01143e-06%) linmin: converged after 8 iterations. iteration 533: trace = 2.451806369845106 (7.01116e-06% change) linmin: converged after 3 iterations. iteration 534: trace = 2.451806295741114 (3.02242e-06% change) linmin: converged after 7 iterations. iteration 535: trace = 2.451806242803898 (2.15911e-06% change) large trace change predicted (5.33882e-06%) linmin: converged after 4 iterations. iteration 536: trace = 2.451806111903806 (5.33892e-06% change) linmin: converged after 2 iterations. iteration 537: trace = 2.451806065983852 (1.8729e-06% change) large trace change predicted (4.69983e-06%) linmin: converged after 2 iterations. iteration 538: trace = 2.451805950750366 (4.69994e-06% change) linmin: converged after 3 iterations. iteration 539: trace = 2.451805840143377 (4.51125e-06% change) linmin: converged after 3 iterations. iteration 540: trace = 2.451805694770904 (5.9292e-06% change) linmin: converged after 3 iterations. iteration 541: trace = 2.45180551485643 (7.33804e-06% change) linmin: converged after 3 iterations. iteration 542: trace = 2.45180519789092 (1.29278e-05% change) linmin: converged after 5 iterations. iteration 543: trace = 2.451805085639186 (4.57833e-06% change) large trace change predicted (1.22654e-05%) linmin: converged after 3 iterations. iteration 544: trace = 2.451804784802842 (1.227e-05% change) linmin: converged after 4 iterations. iteration 545: trace = 2.45180449718559 (1.17308e-05% change) linmin: converged after 4 iterations. iteration 546: trace = 2.451804345794657 (6.17467e-06% change) linmin: converged after 4 iterations. iteration 547: trace = 2.451804065164666 (1.14459e-05% change) linmin: converged after 3 iterations. iteration 548: trace = 2.451803697266883 (1.50052e-05% change) linmin: converged after 4 iterations. iteration 549: trace = 2.451803507750984 (7.72965e-06% change) linmin: converged after 4 iterations. iteration 550: trace = 2.451803423903701 (3.41982e-06% change) large trace change predicted (9.1367e-06%) linmin: converged after 4 iterations. iteration 551: trace = 2.451803199855364 (9.1381e-06% change) linmin: converged after 14 iterations. iteration 552: trace = 2.451803155076162 (1.82638e-06% change) large trace change predicted (4.78125e-06%) linmin: converged after 2 iterations. iteration 553: trace = 2.451803037843257 (4.7815e-06% change) linmin: converged after 3 iterations. iteration 554: trace = 2.451802941600485 (3.92539e-06% change) linmin: converged after 3 iterations. iteration 555: trace = 2.451802840511119 (4.12306e-06% change) linmin: converged after 5 iterations. iteration 556: trace = 2.451802762045059 (3.20034e-06% change) large trace change predicted (1.34886e-05%) linmin: converged after 2 iterations. iteration 557: trace = 2.451802431305149 (1.34897e-05% change) linmin: converged after 4 iterations. iteration 558: trace = 2.451802333627822 (3.9839e-06% change) large trace change predicted (2.98762e-05%) linmin: converged after 4 iterations. iteration 559: trace = 2.451801601086465 (2.98777e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.451801153491394 (1.82558e-05% change) linmin: converged after 4 iterations. iteration 561: trace = 2.45180108374121 (2.84485e-06% change) large trace change predicted (1.01516e-05%) linmin: converged after 4 iterations. iteration 562: trace = 2.451800834854224 (1.01512e-05% change) linmin: converged after 3 iterations. iteration 563: trace = 2.451800745417124 (3.64781e-06% change) linmin: converged after 3 iterations. iteration 564: trace = 2.451800646513976 (4.0339e-06% change) linmin: converged after 3 iterations. iteration 565: trace = 2.451800512467677 (5.46726e-06% change) linmin: converged after 2 iterations. iteration 566: trace = 2.451800411762568 (4.10739e-06% change) linmin: converged after 4 iterations. iteration 567: trace = 2.451800347132134 (2.63604e-06% change) large trace change predicted (8.23316e-06%) linmin: converged after 4 iterations. iteration 568: trace = 2.451800145289141 (8.23244e-06% change) linmin: converged after 3 iterations. iteration 569: trace = 2.451800106853036 (1.56767e-06% change) large trace change predicted (5.14584e-06%) linmin: converged after 3 iterations. iteration 570: trace = 2.451799980693867 (5.14557e-06% change) linmin: converged after 4 iterations. iteration 571: trace = 2.451799882626001 (3.99983e-06% change) linmin: converged after 5 iterations. iteration 572: trace = 2.451799828486288 (2.20816e-06% change) linmin: converged after 3 iterations. iteration 573: trace = 2.451799727720482 (4.10987e-06% change) linmin: converged after 7 iterations. iteration 574: trace = 2.451799594202265 (5.44572e-06% change) linmin: converged after 16 iterations. iteration 575: trace = 2.451799496038755 (4.00373e-06% change) linmin: converged after 3 iterations. iteration 576: trace = 2.451799318106548 (7.25721e-06% change) linmin: converged after 4 iterations. iteration 577: trace = 2.451799026272029 (1.19029e-05% change) linmin: converged after 2 iterations. iteration 578: trace = 2.451798953869357 (2.95304e-06% change) large trace change predicted (8.88296e-06%) linmin: converged after 4 iterations. iteration 579: trace = 2.451798736137125 (8.88051e-06% change) linmin: converged after 3 iterations. iteration 580: trace = 2.451798579490022 (6.38907e-06% change) linmin: converged after 3 iterations. iteration 581: trace = 2.451798522258595 (2.33426e-06% change) linmin: converged after 7 iterations. iteration 582: trace = 2.451798446005962 (3.11007e-06% change) linmin: converged after 3 iterations. iteration 583: trace = 2.451798380702826 (2.66348e-06% change) linmin: converged after 10 iterations. iteration 584: trace = 2.451798361601048 (7.79093e-07% change) large trace change predicted (1.6686e-06%) linmin: converged after 12 iterations. iteration 585: trace = 2.451798320687891 (1.6687e-06% change) linmin: converged after 29 iterations. iteration 586: trace = 2.451798269075065 (2.1051e-06% change) linmin: converged after 4 iterations. iteration 587: trace = 2.451798249597147 (7.94434e-07% change) large trace change predicted (2.10791e-06%) linmin: converged after 2 iterations. iteration 588: trace = 2.451798197910782 (2.1081e-06% change) linmin: converged after 3 iterations. iteration 589: trace = 2.451798103202622 (3.8628e-06% change) linmin: converged after 23 iterations. iteration 590: trace = 2.45179806636828 (1.50234e-06% change) large trace change predicted (6.38346e-06%) linmin: converged after 5 iterations. iteration 591: trace = 2.451797909799967 (6.38586e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.451797700825857 (8.5233e-06% change) linmin: converged after 3 iterations. iteration 593: trace = 2.451797650701557 (2.04439e-06% change) large trace change predicted (7.16465e-06%) linmin: converged after 3 iterations. iteration 594: trace = 2.451797474999589 (7.16625e-06% change) linmin: converged after 4 iterations. iteration 595: trace = 2.45179736829139 (4.35224e-06% change) linmin: converged after 2 iterations. iteration 596: trace = 2.451797306593138 (2.51645e-06% change) large trace change predicted (6.90777e-06%) linmin: converged after 5 iterations. iteration 597: trace = 2.451797137200148 (6.90893e-06% change) linmin: converged after 3 iterations. iteration 598: trace = 2.451797018091173 (4.85803e-06% change) linmin: converged after 3 iterations. iteration 599: trace = 2.451796981007111 (1.51253e-06% change) linmin: converged after 3 iterations. iteration 600: trace = 2.451796914839586 (2.69874e-06% change) linmin: converged after 2 iterations. iteration 601: trace = 2.451796860366236 (2.22177e-06% change) linmin: converged after 16 iterations. iteration 602: trace = 2.45179683762685 (9.27458e-07% change) linmin: converged after 4 iterations. iteration 603: trace = 2.451796807430568 (1.2316e-06% change) linmin: converged after 5 iterations. iteration 604: trace = 2.451796775770115 (1.29132e-06% change) linmin: converged after 6 iterations. iteration 605: trace = 2.451796761812919 (5.69264e-07% change) large trace change predicted (2.80158e-06%) linmin: converged after 3 iterations. iteration 606: trace = 2.451796693126069 (2.80149e-06% change) linmin: converged after 4 iterations. iteration 607: trace = 2.451796637646316 (2.26282e-06% change) linmin: converged after 3 iterations. iteration 608: trace = 2.451796589005789 (1.98387e-06% change) linmin: converged after 17 iterations. iteration 609: trace = 2.45179650894177 (3.26552e-06% change) linmin: converged after 3 iterations. iteration 610: trace = 2.451796416142364 (3.78496e-06% change) linmin: converged after 5 iterations. iteration 611: trace = 2.451796380774903 (1.44251e-06% change) large trace change predicted (3.91269e-06%) linmin: converged after 6 iterations. iteration 612: trace = 2.451796284848199 (3.91251e-06% change) linmin: converged after 17 iterations. iteration 613: trace = 2.451796197580161 (3.55935e-06% change) linmin: converged after 3 iterations. iteration 614: trace = 2.451796159506312 (1.5529e-06% change) large trace change predicted (4.1946e-06%) linmin: converged after 2 iterations. iteration 615: trace = 2.451796056662793 (4.19462e-06% change) linmin: converged after 3 iterations. iteration 616: trace = 2.451796008460974 (1.96598e-06% change) linmin: converged after 4 iterations. iteration 617: trace = 2.451795934751596 (3.00634e-06% change) linmin: converged after 3 iterations. iteration 618: trace = 2.451795871899575 (2.56351e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.451795799550017 (2.95088e-06% change) linmin: converged after 4 iterations. iteration 620: trace = 2.451795778367173 (8.63973e-07% change) large trace change predicted (2.31433e-06%) linmin: converged after 3 iterations. iteration 621: trace = 2.45179572162593 (2.31427e-06% change) linmin: converged after 18 iterations. iteration 622: trace = 2.451795708207833 (5.47276e-07% change) linmin: converged after 2 iterations. iteration 623: trace = 2.451795690512415 (7.21733e-07% change) linmin: converged after 2 iterations. iteration 624: trace = 2.451795663740037 (1.09195e-06% change) linmin: converged after 2 iterations. iteration 625: trace = 2.451795636314248 (1.1186e-06% change) linmin: converged after 3 iterations. iteration 626: trace = 2.451795612065196 (9.89032e-07% change) linmin: converged after 4 iterations. iteration 627: trace = 2.451795578668878 (1.36212e-06% change) linmin: converged after 6 iterations. iteration 628: trace = 2.451795549344755 (1.19603e-06% change) linmin: converged after 3 iterations. iteration 629: trace = 2.45179552683532 (9.1808e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.45179550633759 (8.36029e-07% change) linmin: converged after 3 iterations. iteration 631: trace = 2.451795483086964 (9.4831e-07% change) linmin: converged after 2 iterations. iteration 632: trace = 2.451795454197489 (1.1783e-06% change) linmin: converged after 4 iterations. iteration 633: trace = 2.451795436678621 (7.14532e-07% change) linmin: converged after 2 iterations. iteration 634: trace = 2.451795407830215 (1.17662e-06% change) linmin: converged after 2 iterations. iteration 635: trace = 2.451795381449867 (1.07596e-06% change) linmin: converged after 3 iterations. iteration 636: trace = 2.45179537268668 (3.57419e-07% change) large trace change predicted (9.79051e-07%) linmin: converged after 2 iterations. iteration 637: trace = 2.45179534868218 (9.79058e-07% change) linmin: converged after 3 iterations. iteration 638: trace = 2.451795308279801 (1.64787e-06% change) linmin: converged after 20 iterations. iteration 639: trace = 2.451795293393064 (6.07177e-07% change) large trace change predicted (2.127e-06%) linmin: converged after 4 iterations. iteration 640: trace = 2.451795241240033 (2.12714e-06% change) linmin: converged after 4 iterations. iteration 641: trace = 2.451795195211573 (1.87734e-06% change) linmin: converged after 4 iterations. iteration 642: trace = 2.451795176314502 (7.70744e-07% change) large trace change predicted (2.72894e-06%) linmin: converged after 3 iterations. iteration 643: trace = 2.451795109405027 (2.729e-06% change) linmin: converged after 2 iterations. iteration 644: trace = 2.451795045225142 (2.61767e-06% change) linmin: converged after 3 iterations. iteration 645: trace = 2.451795018719291 (1.08108e-06% change) large trace change predicted (3.91316e-06%) linmin: converged after 3 iterations. iteration 646: trace = 2.451794922770125 (3.91343e-06% change) linmin: converged after 3 iterations. iteration 647: trace = 2.451794862899225 (2.44192e-06% change) linmin: converged after 5 iterations. iteration 648: trace = 2.451794837946719 (1.01772e-06% change) large trace change predicted (3.91294e-06%) linmin: converged after 19 iterations. iteration 649: trace = 2.451794742003182 (3.9132e-06% change) linmin: converged after 2 iterations. iteration 650: trace = 2.451794686975485 (2.24438e-06% change) linmin: converged after 10 iterations. iteration 651: trace = 2.451794667568173 (7.91555e-07% change) large trace change predicted (2.73197e-06%) linmin: converged after 2 iterations. iteration 652: trace = 2.451794600583064 (2.73208e-06% change) linmin: converged after 2 iterations. iteration 653: trace = 2.451794557844939 (1.74314e-06% change) linmin: converged after 4 iterations. iteration 654: trace = 2.451794543115632 (6.00756e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.451794522327706 (8.47866e-07% change) linmin: converged after 5 iterations. iteration 656: trace = 2.451794492486638 (1.21711e-06% change) linmin: converged after 3 iterations. iteration 657: trace = 2.451794485169604 (2.98436e-07% change) large trace change predicted (1.75868e-06%) linmin: converged after 2 iterations. iteration 658: trace = 2.451794442048696 (1.75875e-06% change) linmin: converged after 7 iterations. iteration 659: trace = 2.451794407418552 (1.41244e-06% change) linmin: converged after 2 iterations. iteration 660: trace = 2.451794383113304 (9.91325e-07% change) large trace change predicted (2.37022e-06%) linmin: converged after 3 iterations. iteration 661: trace = 2.451794325004935 (2.37003e-06% change) linmin: converged after 4 iterations. iteration 662: trace = 2.451794254543248 (2.87388e-06% change) linmin: converged after 17 iterations. iteration 663: trace = 2.451794216688021 (1.54398e-06% change) linmin: converged after 25 iterations. iteration 664: trace = 2.451794164297232 (2.13683e-06% change) linmin: converged after 3 iterations. iteration 665: trace = 2.451794063633481 (4.10572e-06% change) linmin: converged after 4 iterations. iteration 666: trace = 2.451793942038218 (4.95944e-06% change) linmin: converged after 5 iterations. iteration 667: trace = 2.451793909579729 (1.32387e-06% change) large trace change predicted (4.14426e-06%) linmin: converged after 3 iterations. iteration 668: trace = 2.451793807989577 (4.1435e-06% change) linmin: converged after 3 iterations. iteration 669: trace = 2.451793769166152 (1.58347e-06% change) linmin: converged after 3 iterations. iteration 670: trace = 2.451793738676322 (1.24357e-06% change) linmin: converged after 3 iterations. iteration 671: trace = 2.451793697207118 (1.69138e-06% change) linmin: converged after 4 iterations. iteration 672: trace = 2.451793685346335 (4.83759e-07% change) large trace change predicted (1.00259e-06%) linmin: converged after 2 iterations. iteration 673: trace = 2.451793660764926 (1.00259e-06% change) linmin: converged after 7 iterations. iteration 674: trace = 2.45179364255815 (7.4259e-07% change) linmin: converged after 19 iterations. iteration 675: trace = 2.451793634650099 (3.22541e-07% change) large trace change predicted (1.26364e-06%) linmin: converged after 23 iterations. iteration 676: trace = 2.451793603667983 (1.26365e-06% change) linmin: converged after 3 iterations. iteration 677: trace = 2.451793553949058 (2.02786e-06% change) linmin: converged after 5 iterations. iteration 678: trace = 2.451793533992017 (8.13977e-07% change) linmin: converged after 11 iterations. iteration 679: trace = 2.451793496294306 (1.53756e-06% change) large trace change predicted (4.19031e-06%) linmin: converged after 4 iterations. iteration 680: trace = 2.451793393536344 (4.19113e-06% change) linmin: converged after 3 iterations. iteration 681: trace = 2.45179336580716 (1.13098e-06% change) large trace change predicted (4.21856e-06%) linmin: converged after 4 iterations. iteration 682: trace = 2.451793262353742 (4.2195e-06% change) linmin: converged after 4 iterations. iteration 683: trace = 2.451793181731778 (3.28829e-06% change) linmin: converged after 4 iterations. iteration 684: trace = 2.451793157187403 (1.00108e-06% change) large trace change predicted (2.22357e-06%) linmin: converged after 3 iterations. iteration 685: trace = 2.451793102666251 (2.22373e-06% change) linmin: converged after 4 iterations. iteration 686: trace = 2.451793049653916 (2.16219e-06% change) linmin: converged after 2 iterations. iteration 687: trace = 2.451793025429164 (9.88042e-07% change) linmin: converged after 3 iterations. iteration 688: trace = 2.4517929878891 (1.53113e-06% change) linmin: converged after 2 iterations. iteration 689: trace = 2.451792940549093 (1.93083e-06% change) linmin: converged after 6 iterations. iteration 690: trace = 2.451792915883914 (1.00601e-06% change) linmin: converged after 19 iterations. iteration 691: trace = 2.451792876064795 (1.62408e-06% change) linmin: converged after 4 iterations. iteration 692: trace = 2.451792838345648 (1.53843e-06% change) linmin: converged after 3 iterations. iteration 693: trace = 2.451792826915167 (4.66209e-07% change) large trace change predicted (1.79506e-06%) linmin: converged after 4 iterations. iteration 694: trace = 2.45179278290272 (1.79511e-06% change) linmin: converged after 3 iterations. iteration 695: trace = 2.451792747438423 (1.44646e-06% change) linmin: converged after 5 iterations. iteration 696: trace = 2.451792716364385 (1.2674e-06% change) linmin: converged after 2 iterations. iteration 697: trace = 2.451792665784828 (2.06296e-06% change) linmin: converged after 2 iterations. iteration 698: trace = 2.451792565258818 (4.1001e-06% change) linmin: converged after 3 iterations. iteration 699: trace = 2.45179236980796 (7.97175e-06% change) resetting CG direction... linmin: converged after 5 iterations. iteration 700: trace = 2.451792265840784 (4.24046e-06% change) linmin: converged after 3 iterations. iteration 701: trace = 2.451792191930716 (3.01453e-06% change) linmin: converged after 2 iterations. iteration 702: trace = 2.451792148664044 (1.7647e-06% change) linmin: converged after 13 iterations. iteration 703: trace = 2.451792122137848 (1.08191e-06% change) large trace change predicted (2.81916e-06%) linmin: converged after 3 iterations. iteration 704: trace = 2.451792053020108 (2.81907e-06% change) linmin: converged after 5 iterations. iteration 705: trace = 2.451792027058153 (1.0589e-06% change) linmin: converged after 2 iterations. iteration 706: trace = 2.45179201006231 (6.93201e-07% change) large trace change predicted (1.91178e-06%) linmin: converged after 3 iterations. iteration 707: trace = 2.451791963190513 (1.91174e-06% change) linmin: converged after 4 iterations. iteration 708: trace = 2.451791954954061 (3.35936e-07% change) large trace change predicted (1.13734e-06%) linmin: converged after 3 iterations. iteration 709: trace = 2.451791927069571 (1.13731e-06% change) linmin: converged after 3 iterations. iteration 710: trace = 2.451791905694446 (8.71816e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.45179189536726 (4.2121e-07% change) large trace change predicted (9.59289e-07%) linmin: converged after 3 iterations. iteration 712: trace = 2.45179187184791 (9.59272e-07% change) linmin: converged after 25 iterations. iteration 713: trace = 2.45179183881496 (1.3473e-06% change) linmin: converged after 2 iterations. iteration 714: trace = 2.451791828748036 (4.10595e-07% change) large trace change predicted (1.72028e-06%) linmin: converged after 7 iterations. iteration 715: trace = 2.45179178657364 (1.72015e-06% change) linmin: converged after 16 iterations. iteration 716: trace = 2.451791739505495 (1.91974e-06% change) linmin: converged after 5 iterations. iteration 717: trace = 2.451791726865672 (5.15534e-07% change) large trace change predicted (2.28472e-06%) linmin: converged after 3 iterations. iteration 718: trace = 2.451791670854469 (2.2845e-06% change) linmin: converged after 19 iterations. iteration 719: trace = 2.451791623146107 (1.94586e-06% change) linmin: converged after 5 iterations. iteration 720: trace = 2.451791604248033 (7.70786e-07% change) linmin: converged after 20 iterations. iteration 721: trace = 2.451791578522004 (1.04927e-06% change) linmin: converged after 5 iterations. iteration 722: trace = 2.45179154531984 (1.3542e-06% change) linmin: converged after 3 iterations. iteration 723: trace = 2.45179154001316 (2.16441e-07% change) large trace change predicted (1.04398e-06%) linmin: converged after 7 iterations. iteration 724: trace = 2.451791514417294 (1.04397e-06% change) linmin: converged after 2 iterations. iteration 725: trace = 2.451791499697777 (6.00358e-07% change) linmin: converged after 6 iterations. iteration 726: trace = 2.451791490821247 (3.62043e-07% change) linmin: converged after 21 iterations. iteration 727: trace = 2.451791479182166 (4.74717e-07% change) linmin: converged after 20 iterations. iteration 728: trace = 2.451791468603028 (4.31486e-07% change) linmin: converged after 22 iterations. iteration 729: trace = 2.451791463214177 (2.19792e-07% change) large trace change predicted (4.4337e-07%) linmin: converged after 4 iterations. iteration 730: trace = 2.451791452343017 (4.43397e-07% change) linmin: converged after 13 iterations. iteration 731: trace = 2.451791433208534 (7.80429e-07% change) linmin: converged after 3 iterations. iteration 732: trace = 2.451791427326031 (2.39927e-07% change) large trace change predicted (1.51442e-06%) linmin: converged after 3 iterations. iteration 733: trace = 2.451791390191013 (1.51461e-06% change) linmin: converged after 3 iterations. iteration 734: trace = 2.451791339090589 (2.08421e-06% change) linmin: converged after 4 iterations. iteration 735: trace = 2.451791314687017 (9.95336e-07% change) linmin: converged after 6 iterations. iteration 736: trace = 2.4517912856032 (1.18623e-06% change) linmin: converged after 3 iterations. iteration 737: trace = 2.451791227755417 (2.35941e-06% change) linmin: converged after 2 iterations. iteration 738: trace = 2.451791216222877 (4.70372e-07% change) large trace change predicted (1.06006e-06%) linmin: converged after 27 iterations. iteration 739: trace = 2.451791190230289 (1.06015e-06% change) linmin: converged after 5 iterations. iteration 740: trace = 2.451791175816381 (5.87893e-07% change) linmin: converged after 4 iterations. iteration 741: trace = 2.451791171007147 (1.96152e-07% change) large trace change predicted (4.24916e-07%) linmin: converged after 7 iterations. iteration 742: trace = 2.451791160588906 (4.24924e-07% change) linmin: converged after 4 iterations. iteration 743: trace = 2.451791150675575 (4.0433e-07% change) linmin: converged after 4 iterations. iteration 744: trace = 2.451791145408891 (2.1481e-07% change) linmin: converged after 3 iterations. iteration 745: trace = 2.451791137991258 (3.02539e-07% change) large trace change predicted (6.95864e-07%) linmin: converged after 3 iterations. iteration 746: trace = 2.451791120930879 (6.95833e-07% change) linmin: converged after 26 iterations. iteration 747: trace = 2.451791117822212 (1.26792e-07% change) large trace change predicted (7.7344e-07%) linmin: converged after 3 iterations. iteration 748: trace = 2.451791098859697 (7.73415e-07% change) linmin: converged after 4 iterations. iteration 749: trace = 2.451791091886388 (2.84417e-07% change) linmin: converged after 4 iterations. iteration 750: trace = 2.451791081648536 (4.17566e-07% change) large trace change predicted (8.54253e-07%) linmin: converged after 9 iterations. iteration 751: trace = 2.451791060704737 (8.54224e-07% change) linmin: converged after 2 iterations. iteration 752: trace = 2.451791041158371 (7.97228e-07% change) linmin: converged after 3 iterations. iteration 753: trace = 2.451791032627479 (3.47945e-07% change) large trace change predicted (1.04605e-06%) linmin: converged after 2 iterations. iteration 754: trace = 2.451791006980357 (1.04606e-06% change) linmin: converged after 4 iterations. iteration 755: trace = 2.451790980819919 (1.06699e-06% change) linmin: converged after 4 iterations. iteration 756: trace = 2.451790974218321 (2.69256e-07% change) large trace change predicted (1.11218e-06%) linmin: converged after 3 iterations. iteration 757: trace = 2.451790946951377 (1.11212e-06% change) linmin: converged after 3 iterations. iteration 758: trace = 2.451790925440033 (8.77373e-07% change) linmin: converged after 13 iterations. iteration 759: trace = 2.451790920711863 (1.92846e-07% change) large trace change predicted (4.36471e-07%) linmin: converged after 8 iterations. iteration 760: trace = 2.45179091001081 (4.36459e-07% change) linmin: converged after 8 iterations. iteration 761: trace = 2.451790900670096 (3.80975e-07% change) linmin: converged after 4 iterations. iteration 762: trace = 2.451790898448133 (9.06261e-08% change) large trace change predicted (2.66754e-07%) linmin: converged after 2 iterations. iteration 763: trace = 2.451790891907878 (2.66754e-07% change) linmin: converged after 11 iterations. iteration 764: trace = 2.451790884721091 (2.93124e-07% change) linmin: converged after 7 iterations. iteration 765: trace = 2.451790882029681 (1.09773e-07% change) large trace change predicted (4.53892e-07%) linmin: converged after 22 iterations. iteration 766: trace = 2.451790870901434 (4.53882e-07% change) linmin: converged after 3 iterations. iteration 767: trace = 2.451790862651265 (3.36496e-07% change) linmin: converged after 3 iterations. iteration 768: trace = 2.451790859943585 (1.10437e-07% change) linmin: converged after 9 iterations. iteration 769: trace = 2.451790854622261 (2.17038e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.451790850736156 (1.58501e-07% change) linmin: converged after 3 iterations. iteration 771: trace = 2.451790848780821 (7.97513e-08% change) large trace change predicted (2.8187e-07%) linmin: converged after 2 iterations. iteration 772: trace = 2.451790841869923 (2.81871e-07% change) linmin: converged after 24 iterations. iteration 773: trace = 2.45179083449406 (3.00836e-07% change) linmin: converged after 3 iterations. iteration 774: trace = 2.451790830224255 (1.7415e-07% change) large trace change predicted (3.49862e-07%) linmin: converged after 2 iterations. iteration 775: trace = 2.451790821646288 (3.49865e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.451790817590084 (1.65438e-07% change) linmin: converged after 5 iterations. iteration 777: trace = 2.451790812697268 (1.99561e-07% change) linmin: converged after 3 iterations. iteration 778: trace = 2.451790804441738 (3.36714e-07% change) linmin: converged after 5 iterations. iteration 779: trace = 2.451790799474577 (2.02593e-07% change) linmin: converged after 2 iterations. iteration 780: trace = 2.451790793746871 (2.33613e-07% change) large trace change predicted (7.06209e-07%) linmin: converged after 10 iterations. iteration 781: trace = 2.451790776431223 (7.06245e-07% change) linmin: converged after 9 iterations. iteration 782: trace = 2.451790763844448 (5.13371e-07% change) linmin: converged after 4 iterations. iteration 783: trace = 2.451790754432425 (3.83884e-07% change) large trace change predicted (8.1418e-07%) linmin: converged after 4 iterations. iteration 784: trace = 2.451790734469889 (8.14202e-07% change) linmin: converged after 6 iterations. iteration 785: trace = 2.451790725902935 (3.49416e-07% change) large trace change predicted (7.13664e-07%) linmin: converged after 22 iterations. iteration 786: trace = 2.451790708405207 (7.13671e-07% change) linmin: converged after 2 iterations. iteration 787: trace = 2.451790688069498 (8.29423e-07% change) linmin: converged after 13 iterations. iteration 788: trace = 2.451790676621194 (4.66936e-07% change) linmin: converged after 19 iterations. iteration 789: trace = 2.451790666951052 (3.94411e-07% change) linmin: converged after 7 iterations. iteration 790: trace = 2.45179065530475 (4.75012e-07% change) linmin: converged after 9 iterations. iteration 791: trace = 2.451790645464281 (4.01358e-07% change) linmin: converged after 3 iterations. iteration 792: trace = 2.451790640268372 (2.11923e-07% change) large trace change predicted (4.37856e-07%) linmin: converged after 3 iterations. iteration 793: trace = 2.451790629532549 (4.37877e-07% change) linmin: converged after 6 iterations. iteration 794: trace = 2.451790625486887 (1.65008e-07% change) linmin: converged after 7 iterations. iteration 795: trace = 2.451790621763671 (1.51857e-07% change) large trace change predicted (3.92591e-07%) linmin: converged after 5 iterations. iteration 796: trace = 2.451790612137841 (3.92604e-07% change) linmin: converged after 3 iterations. iteration 797: trace = 2.451790610497388 (6.69084e-08% change) large trace change predicted (3.81881e-07%) linmin: converged after 4 iterations. iteration 798: trace = 2.451790601134438 (3.81882e-07% change) linmin: converged after 10 iterations. iteration 799: trace = 2.451790592150075 (3.66441e-07% change) linmin: converged after 13 iterations. iteration 800: trace = 2.451790580991582 (4.55116e-07% change) linmin: converged after 4 iterations. iteration 801: trace = 2.451790575201232 (2.36168e-07% change) large trace change predicted (6.60894e-07%) linmin: converged after 2 iterations. iteration 802: trace = 2.451790558997469 (6.60895e-07% change) linmin: converged after 4 iterations. iteration 803: trace = 2.45179053723362 (8.87672e-07% change) linmin: converged after 6 iterations. iteration 804: trace = 2.451790529390748 (3.19883e-07% change) large trace change predicted (1.39634e-06%) linmin: converged after 4 iterations. iteration 805: trace = 2.451790495160123 (1.39615e-06% change) linmin: converged after 8 iterations. iteration 806: trace = 2.451790481076751 (5.74412e-07% change) linmin: converged after 3 iterations. iteration 807: trace = 2.451790459563808 (8.77438e-07% change) linmin: converged after 3 iterations. iteration 808: trace = 2.451790446342061 (5.39269e-07% change) linmin: converged after 4 iterations. iteration 809: trace = 2.451790440342123 (2.44717e-07% change) linmin: converged after 4 iterations. iteration 810: trace = 2.451790435433245 (2.00216e-07% change) linmin: converged after 3 iterations. iteration 811: trace = 2.451790428497347 (2.82891e-07% change) linmin: converged after 8 iterations. iteration 812: trace = 2.451790426597656 (7.74818e-08% change) large trace change predicted (2.46463e-07%) linmin: converged after 4 iterations. iteration 813: trace = 2.451790420554907 (2.46463e-07% change) linmin: converged after 4 iterations. iteration 814: trace = 2.451790415291416 (2.14679e-07% change) linmin: converged after 3 iterations. iteration 815: trace = 2.451790413150698 (8.73125e-08% change) large trace change predicted (4.66979e-07%) linmin: converged after 7 iterations. iteration 816: trace = 2.451790401701011 (4.66993e-07% change) linmin: converged after 3 iterations. iteration 817: trace = 2.451790388313961 (5.46011e-07% change) linmin: converged after 4 iterations. iteration 818: trace = 2.451790382630603 (2.31804e-07% change) large trace change predicted (5.34739e-07%) linmin: converged after 11 iterations. iteration 819: trace = 2.451790369519399 (5.3476e-07% change) linmin: converged after 9 iterations. iteration 820: trace = 2.451790348938323 (8.3943e-07% change) linmin: converged after 6 iterations. iteration 821: trace = 2.451790333163449 (6.43402e-07% change) linmin: converged after 8 iterations. iteration 822: trace = 2.45179032403559 (3.72294e-07% change) large trace change predicted (7.81578e-07%) linmin: converged after 14 iterations. iteration 823: trace = 2.451790304871935 (7.81619e-07% change) linmin: converged after 5 iterations. iteration 824: trace = 2.451790295531658 (3.80957e-07% change) linmin: converged after 2 iterations. iteration 825: trace = 2.451790285744269 (3.99194e-07% change) linmin: converged after 11 iterations. iteration 826: trace = 2.451790272061595 (5.58069e-07% change) linmin: converged after 6 iterations. iteration 827: trace = 2.451790266942433 (2.08793e-07% change) linmin: converged after 5 iterations. iteration 828: trace = 2.451790258678502 (3.37057e-07% change) linmin: converged after 3 iterations. iteration 829: trace = 2.451790247271042 (4.65271e-07% change) linmin: converged after 2 iterations. iteration 830: trace = 2.451790244311814 (1.20697e-07% change) large trace change predicted (3.56888e-07%) linmin: converged after 3 iterations. iteration 831: trace = 2.45179023556167 (3.56888e-07% change) linmin: converged after 25 iterations. iteration 832: trace = 2.45179022555658 (4.08073e-07% change) linmin: converged after 7 iterations. iteration 833: trace = 2.451790222941453 (1.06662e-07% change) large trace change predicted (2.88187e-07%) linmin: converged after 4 iterations. iteration 834: trace = 2.451790215875715 (2.88187e-07% change) large trace change predicted (6.82744e-07%) linmin: converged after 3 iterations. iteration 835: trace = 2.451790199135536 (6.82774e-07% change) linmin: converged after 2 iterations. iteration 836: trace = 2.451790194475009 (1.90087e-07% change) large trace change predicted (8.45349e-07%) linmin: converged after 3 iterations. iteration 837: trace = 2.451790173748307 (8.4537e-07% change) linmin: converged after 10 iterations. iteration 838: trace = 2.45179015497831 (7.65563e-07% change) linmin: converged after 16 iterations. iteration 839: trace = 2.451790141766932 (5.38846e-07% change) resetting CG direction... linmin: converged after 10 iterations. iteration 840: trace = 2.451790130652822 (4.53306e-07% change) linmin: converged after 3 iterations. iteration 841: trace = 2.451790117578799 (5.33244e-07% change) linmin: converged after 3 iterations. iteration 842: trace = 2.451790101719007 (6.46866e-07% change) linmin: converged after 25 iterations. iteration 843: trace = 2.451790097671424 (1.65087e-07% change) large trace change predicted (5.1677e-07%) linmin: converged after 3 iterations. iteration 844: trace = 2.451790085002 (5.16742e-07% change) linmin: converged after 5 iterations. iteration 845: trace = 2.451790075364461 (3.93082e-07% change) linmin: converged after 4 iterations. iteration 846: trace = 2.451790072195899 (1.29235e-07% change) large trace change predicted (4.12186e-07%) linmin: converged after 3 iterations. iteration 847: trace = 2.451790062090133 (4.12179e-07% change) linmin: converged after 17 iterations. iteration 848: trace = 2.451790058926191 (1.29046e-07% change) large trace change predicted (2.63649e-07%) linmin: converged after 5 iterations. iteration 849: trace = 2.451790052462258 (2.63641e-07% change) linmin: converged after 3 iterations. iteration 850: trace = 2.451790046396517 (2.47401e-07% change) linmin: converged after 8 iterations. iteration 851: trace = 2.451790043367849 (1.23529e-07% change) linmin: converged after 3 iterations. iteration 852: trace = 2.451790039269316 (1.67165e-07% change) large trace change predicted (3.34821e-07%) linmin: converged after 7 iterations. iteration 853: trace = 2.45179003106038 (3.34814e-07% change) linmin: converged after 24 iterations. iteration 854: trace = 2.451790024970796 (2.48373e-07% change) linmin: converged after 5 iterations. iteration 855: trace = 2.451790017007872 (3.2478e-07% change) linmin: converged after 3 iterations. iteration 856: trace = 2.451790004551986 (5.08032e-07% change) linmin: converged after 4 iterations. iteration 857: trace = 2.451790000272914 (1.74528e-07% change) large trace change predicted (5.59857e-07%) linmin: converged after 17 iterations. iteration 858: trace = 2.451789986547154 (5.59826e-07% change) linmin: converged after 5 iterations. iteration 859: trace = 2.451789975362655 (4.56177e-07% change) linmin: converged after 4 iterations. iteration 860: trace = 2.451789968005178 (3.00086e-07% change) linmin: converged after 4 iterations. iteration 861: trace = 2.45178996537633 (1.07222e-07% change) large trace change predicted (3.42951e-07%) linmin: converged after 22 iterations. iteration 862: trace = 2.451789956968089 (3.42943e-07% change) linmin: converged after 3 iterations. iteration 863: trace = 2.451789951005074 (2.43211e-07% change) linmin: converged after 6 iterations. iteration 864: trace = 2.451789948906951 (8.55751e-08% change) linmin: converged after 4 iterations. iteration 865: trace = 2.451789945675188 (1.31812e-07% change) linmin: converged after 3 iterations. iteration 866: trace = 2.451789943217673 (1.00233e-07% change) linmin: converged after 3 iterations. iteration 867: trace = 2.451789940823766 (9.76391e-08% change) linmin: converged after 5 iterations. iteration 868: trace = 2.451789938148882 (1.09099e-07% change) linmin: converged after 7 iterations. iteration 869: trace = 2.451789935455995 (1.09834e-07% change) linmin: converged after 29 iterations. iteration 870: trace = 2.451789933603409 (7.55606e-08% change) large trace change predicted (2.08614e-07%) linmin: converged after 16 iterations. iteration 871: trace = 2.45178992848846 (2.08621e-07% change) linmin: converged after 7 iterations. iteration 872: trace = 2.451789920896306 (3.09658e-07% change) linmin: converged after 3 iterations. iteration 873: trace = 2.451789917419556 (1.41805e-07% change) large trace change predicted (5.71054e-07%) linmin: converged after 3 iterations. iteration 874: trace = 2.45178990341708 (5.71112e-07% change) linmin: converged after 3 iterations. iteration 875: trace = 2.451789896518359 (2.81375e-07% change) linmin: converged after 6 iterations. iteration 876: trace = 2.451789889618854 (2.81407e-07% change) linmin: converged after 2 iterations. iteration 877: trace = 2.451789877036018 (5.1321e-07% change) linmin: converged after 2 iterations. iteration 878: trace = 2.451789870349878 (2.72704e-07% change) linmin: converged after 4 iterations. iteration 879: trace = 2.451789867664974 (1.09508e-07% change) linmin: converged after 21 iterations. iteration 880: trace = 2.451789864008951 (1.49116e-07% change) linmin: converged after 3 iterations. iteration 881: trace = 2.451789861036756 (1.21226e-07% change) linmin: converged after 4 iterations. iteration 882: trace = 2.451789860313866 (2.94842e-08% change) large trace change predicted (1.22215e-07%) linmin: converged after 4 iterations. iteration 883: trace = 2.451789857317415 (1.22215e-07% change) linmin: converged after 4 iterations. iteration 884: trace = 2.451789855887223 (5.83326e-08% change) linmin: converged after 2 iterations. iteration 885: trace = 2.451789854389887 (6.10711e-08% change) large trace change predicted (1.73986e-07%) linmin: converged after 4 iterations. iteration 886: trace = 2.45178985012418 (1.73983e-07% change) linmin: converged after 19 iterations. iteration 887: trace = 2.451789846931467 (1.3022e-07% change) linmin: converged after 4 iterations. iteration 888: trace = 2.451789844577092 (9.60267e-08% change) linmin: converged after 3 iterations. iteration 889: trace = 2.451789841005948 (1.45655e-07% change) linmin: converged after 3 iterations. iteration 890: trace = 2.451789836952724 (1.65317e-07% change) linmin: converged after 4 iterations. iteration 891: trace = 2.451789834899375 (8.3749e-08% change) large trace change predicted (2.33956e-07%) linmin: converged after 7 iterations. iteration 892: trace = 2.45178982916333 (2.33953e-07% change) linmin: converged after 10 iterations. iteration 893: trace = 2.451789822425168 (2.74826e-07% change) linmin: converged after 14 iterations. iteration 894: trace = 2.451789820359948 (8.42332e-08% change) large trace change predicted (2.40574e-07%) linmin: converged after 11 iterations. iteration 895: trace = 2.451789814461608 (2.40573e-07% change) linmin: converged after 4 iterations. iteration 896: trace = 2.451789809322398 (2.09611e-07% change) linmin: converged after 3 iterations. iteration 897: trace = 2.451789807034282 (9.33243e-08% change) linmin: converged after 27 iterations. iteration 898: trace = 2.4517898026986 (1.76837e-07% change) linmin: converged after 4 iterations. iteration 899: trace = 2.451789799312174 (1.38121e-07% change) linmin: converged after 4 iterations. iteration 900: trace = 2.451789798438976 (3.56147e-08% change) large trace change predicted (1.16608e-07%) linmin: converged after 11 iterations. iteration 901: trace = 2.451789795580043 (1.16606e-07% change) linmin: converged after 4 iterations. iteration 902: trace = 2.45178979435659 (4.99004e-08% change) linmin: converged after 4 iterations. iteration 903: trace = 2.45178979329159 (4.34376e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.451789791283026 (8.19224e-08% change) linmin: converged after 3 iterations. iteration 905: trace = 2.451789789747027 (6.2648e-08% change) linmin: converged after 6 iterations. iteration 906: trace = 2.45178978823559 (6.16463e-08% change) linmin: converged after 8 iterations. iteration 907: trace = 2.451789786422252 (7.39598e-08% change) linmin: converged after 3 iterations. iteration 908: trace = 2.451789785136507 (5.24411e-08% change) linmin: converged after 3 iterations. iteration 909: trace = 2.451789784398787 (3.0089e-08% change) resetting CG direction... linmin: converged after 33 iterations. iteration 910: trace = 2.45178978372239 (2.75879e-08% change) linmin: converged after 3 iterations. iteration 911: trace = 2.451789782726463 (4.06204e-08% change) linmin: converged after 3 iterations. iteration 912: trace = 2.451789781212491 (6.17497e-08% change) linmin: converged after 7 iterations. iteration 913: trace = 2.451789779875948 (5.45129e-08% change) linmin: converged after 4 iterations. iteration 914: trace = 2.451789778625379 (5.10064e-08% change) linmin: converged after 2 iterations. iteration 915: trace = 2.451789776564825 (8.40429e-08% change) linmin: converged after 4 iterations. iteration 916: trace = 2.451789775371867 (4.86566e-08% change) linmin: converged after 3 iterations. iteration 917: trace = 2.451789774054313 (5.37384e-08% change) large trace change predicted (1.1113e-07%) linmin: converged after 3 iterations. iteration 918: trace = 2.451789771329607 (1.11131e-07% change) linmin: converged after 27 iterations. iteration 919: trace = 2.451789770574177 (3.08114e-08% change) large trace change predicted (9.94201e-08%) linmin: converged after 8 iterations. iteration 920: trace = 2.451789768136583 (9.9421e-08% change) linmin: converged after 21 iterations. iteration 921: trace = 2.451789765165151 (1.21194e-07% change) linmin: converged after 5 iterations. iteration 922: trace = 2.451789764039035 (4.59304e-08% change) large trace change predicted (1.71542e-07%) linmin: converged after 20 iterations. iteration 923: trace = 2.451789759833119 (1.71545e-07% change) linmin: converged after 4 iterations. iteration 924: trace = 2.451789755064095 (1.94512e-07% change) linmin: converged after 5 iterations. iteration 925: trace = 2.451789753301272 (7.18994e-08% change) large trace change predicted (2.41629e-07%) linmin: converged after 3 iterations. iteration 926: trace = 2.451789747377023 (2.4163e-07% change) linmin: converged after 3 iterations. iteration 927: trace = 2.451789743136205 (1.72968e-07% change) linmin: converged after 4 iterations. iteration 928: trace = 2.451789741484413 (6.73709e-08% change) large trace change predicted (1.71697e-07%) linmin: converged after 4 iterations. iteration 929: trace = 2.451789737274729 (1.71698e-07% change) linmin: converged after 10 iterations. iteration 930: trace = 2.451789734450408 (1.15194e-07% change) linmin: converged after 4 iterations. iteration 931: trace = 2.451789733233363 (4.9639e-08% change) large trace change predicted (1.07501e-07%) linmin: converged after 3 iterations. iteration 932: trace = 2.451789730597635 (1.07502e-07% change) linmin: converged after 7 iterations. iteration 933: trace = 2.451789727973979 (1.0701e-07% change) linmin: converged after 4 iterations. iteration 934: trace = 2.451789727193226 (3.18442e-08% change) linmin: converged after 11 iterations. iteration 935: trace = 2.451789725794567 (5.70465e-08% change) linmin: converged after 3 iterations. iteration 936: trace = 2.451789723405372 (9.7447e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.451789722618933 (3.20761e-08% change) large trace change predicted (7.73954e-08%) linmin: converged after 3 iterations. iteration 938: trace = 2.451789720721378 (7.73947e-08% change) linmin: converged after 16 iterations. iteration 939: trace = 2.451789718299249 (9.87903e-08% change) linmin: converged after 4 iterations. iteration 940: trace = 2.45178971719452 (4.5058e-08% change) large trace change predicted (1.45787e-07%) linmin: converged after 4 iterations. iteration 941: trace = 2.451789713620216 (1.45783e-07% change) linmin: converged after 4 iterations. iteration 942: trace = 2.451789708394984 (2.13119e-07% change) linmin: converged after 5 iterations. iteration 943: trace = 2.451789704353748 (1.64828e-07% change) linmin: converged after 3 iterations. iteration 944: trace = 2.451789702342172 (8.20452e-08% change) large trace change predicted (3.28493e-07%) linmin: converged after 20 iterations. iteration 945: trace = 2.451789694288807 (3.28469e-07% change) linmin: converged after 11 iterations. iteration 946: trace = 2.451789687656083 (2.70526e-07% change) linmin: converged after 4 iterations. iteration 947: trace = 2.451789685223355 (9.92225e-08% change) linmin: converged after 3 iterations. iteration 948: trace = 2.451789680907474 (1.7603e-07% change) linmin: converged after 4 iterations. iteration 949: trace = 2.451789678868922 (8.31455e-08% change) linmin: converged after 4 iterations. iteration 950: trace = 2.451789678173815 (2.8351e-08% change) linmin: converged after 10 iterations. iteration 951: trace = 2.451789676801328 (5.5979e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.45178967541773 (5.64322e-08% change) linmin: converged after 4 iterations. iteration 953: trace = 2.45178967492127 (2.02489e-08% change) large trace change predicted (5.11301e-08%) linmin: converged after 4 iterations. iteration 954: trace = 2.45178967366767 (5.113e-08% change) large trace change predicted (1.05106e-07%) linmin: converged after 19 iterations. iteration 955: trace = 2.451789671090639 (1.05108e-07% change) linmin: converged after 4 iterations. iteration 956: trace = 2.451789670085494 (4.09964e-08% change) large trace change predicted (1.68508e-07%) linmin: converged after 5 iterations. iteration 957: trace = 2.451789665953879 (1.68514e-07% change) linmin: converged after 3 iterations. iteration 958: trace = 2.451789663133067 (1.15051e-07% change) linmin: converged after 23 iterations. iteration 959: trace = 2.451789661467946 (6.79145e-08% change) large trace change predicted (1.98625e-07%) linmin: converged after 11 iterations. iteration 960: trace = 2.451789656597763 (1.98638e-07% change) linmin: converged after 22 iterations. iteration 961: trace = 2.451789652026789 (1.86434e-07% change) linmin: converged after 7 iterations. iteration 962: trace = 2.451789650084212 (7.9231e-08% change) large trace change predicted (1.94608e-07%) linmin: converged after 5 iterations. iteration 963: trace = 2.451789645312699 (1.94613e-07% change) linmin: converged after 2 iterations. iteration 964: trace = 2.451789642824902 (1.01469e-07% change) linmin: converged after 4 iterations. iteration 965: trace = 2.451789640346874 (1.0107e-07% change) linmin: converged after 7 iterations. iteration 966: trace = 2.451789637012786 (1.35986e-07% change) linmin: converged after 4 iterations. iteration 967: trace = 2.451789635615617 (5.69857e-08% change) linmin: converged after 8 iterations. iteration 968: trace = 2.451789633832326 (7.27343e-08% change) linmin: converged after 3 iterations. iteration 969: trace = 2.451789631345194 (1.01441e-07% change) linmin: converged after 7 iterations. iteration 970: trace = 2.451789628626759 (1.10876e-07% change) linmin: converged after 5 iterations. iteration 971: trace = 2.45178962806572 (2.28828e-08% change) large trace change predicted (1.01899e-07%) linmin: converged after 3 iterations. iteration 972: trace = 2.45178962556734 (1.019e-07% change) linmin: converged after 3 iterations. iteration 973: trace = 2.451789624377636 (4.85239e-08% change) linmin: converged after 4 iterations. iteration 974: trace = 2.451789622558809 (7.41837e-08% change) linmin: converged after 4 iterations. iteration 975: trace = 2.4517896190195 (1.44356e-07% change) linmin: converged after 6 iterations. iteration 976: trace = 2.451789614337821 (1.90949e-07% change) linmin: converged after 4 iterations. iteration 977: trace = 2.451789612451773 (7.69254e-08% change) large trace change predicted (1.92361e-07%) linmin: converged after 10 iterations. iteration 978: trace = 2.451789607735527 (1.92359e-07% change) large trace change predicted (5.90753e-07%) linmin: converged after 4 iterations. iteration 979: trace = 2.451789593251029 (5.90773e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.451789585678058 (3.08875e-07% change) linmin: converged after 10 iterations. iteration 981: trace = 2.45178958142829 (1.73333e-07% change) linmin: converged after 21 iterations. iteration 982: trace = 2.451789579193533 (9.1148e-08% change) linmin: converged after 7 iterations. iteration 983: trace = 2.451789576710129 (1.01289e-07% change) linmin: converged after 9 iterations. iteration 984: trace = 2.451789571854989 (1.98024e-07% change) linmin: converged after 4 iterations. iteration 985: trace = 2.451789569994678 (7.58756e-08% change) linmin: converged after 4 iterations. iteration 986: trace = 2.451789568186286 (7.3758e-08% change) linmin: converged after 3 iterations. iteration 987: trace = 2.451789565693987 (1.01652e-07% change) linmin: converged after 21 iterations. iteration 988: trace = 2.451789565351379 (1.39738e-08% change) large trace change predicted (5.4164e-08%) linmin: converged after 6 iterations. iteration 989: trace = 2.451789564023403 (5.41635e-08% change) linmin: converged after 3 iterations. iteration 990: trace = 2.451789562895927 (4.59859e-08% change) linmin: converged after 3 iterations. iteration 991: trace = 2.451789562012754 (3.60215e-08% change) linmin: converged after 6 iterations. iteration 992: trace = 2.45178956119363 (3.34093e-08% change) large trace change predicted (1.02683e-07%) linmin: converged after 5 iterations. iteration 993: trace = 2.451789558676108 (1.02681e-07% change) linmin: converged after 4 iterations. iteration 994: trace = 2.451789557848725 (3.37461e-08% change) large trace change predicted (9.42778e-08%) linmin: converged after 9 iterations. iteration 995: trace = 2.451789555537272 (9.42762e-08% change) linmin: converged after 7 iterations. iteration 996: trace = 2.45178955330259 (9.11449e-08% change) linmin: converged after 6 iterations. iteration 997: trace = 2.451789552371775 (3.79647e-08% change) large trace change predicted (9.25579e-08%) linmin: converged after 3 iterations. iteration 998: trace = 2.45178955010249 (9.25563e-08% change) linmin: converged after 18 iterations. iteration 999: trace = 2.451789548159242 (7.92583e-08% change) linmin: converged after 4 iterations. iteration 1000: trace = 2.451789546746675 (5.76137e-08% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.451789545196658 (6.32198e-08% change) linmin: converged after 21 iterations. iteration 1002: trace = 2.451789542106697 (1.26029e-07% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.451789541684409 (1.72237e-08% change) large trace change predicted (6.35029e-08%) linmin: converged after 6 iterations. iteration 1004: trace = 2.451789540127463 (6.35024e-08% change) linmin: converged after 4 iterations. iteration 1005: trace = 2.451789539327693 (3.26198e-08% change) linmin: converged after 5 iterations. iteration 1006: trace = 2.451789538984625 (1.39925e-08% change) linmin: converged after 23 iterations. iteration 1007: trace = 2.451789538315147 (2.73057e-08% change) linmin: converged after 4 iterations. iteration 1008: trace = 2.451789537595789 (2.93401e-08% change) linmin: converged after 5 iterations. iteration 1009: trace = 2.451789537373796 (9.05435e-09% change) large trace change predicted (2.14582e-08%) linmin: converged after 4 iterations. iteration 1010: trace = 2.451789536847683 (2.14583e-08% change) large trace change predicted (5.3587e-08%) linmin: converged after 13 iterations. iteration 1011: trace = 2.45178953553382 (5.35879e-08% change) linmin: converged after 4 iterations. iteration 1012: trace = 2.451789534473829 (4.32334e-08% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.451789532694611 (7.25681e-08% change) linmin: converged after 4 iterations. iteration 1014: trace = 2.451789530314902 (9.70601e-08% change) linmin: converged after 8 iterations. iteration 1015: trace = 2.451789529110084 (4.91403e-08% change) large trace change predicted (9.94358e-08%) linmin: converged after 23 iterations. iteration 1016: trace = 2.451789526672045 (9.94392e-08% change) linmin: converged after 5 iterations. iteration 1017: trace = 2.45178952391461 (1.12466e-07% change) linmin: converged after 21 iterations. iteration 1018: trace = 2.451789522857236 (4.31266e-08% change) linmin: converged after 4 iterations. iteration 1019: trace = 2.451789522061707 (3.24468e-08% change) linmin: converged after 8 iterations. iteration 1020: trace = 2.451789521192991 (3.54319e-08% change) linmin: converged after 3 iterations. iteration 1021: trace = 2.451789520608171 (2.38528e-08% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.45178952020785 (1.63277e-08% change) linmin: converged after 9 iterations. iteration 1023: trace = 2.451789519633386 (2.34304e-08% change) linmin: converged after 6 iterations. iteration 1024: trace = 2.451789519118052 (2.10187e-08% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.451789518781816 (1.37139e-08% change) large trace change predicted (3.35776e-08%) linmin: converged after 4 iterations. iteration 1026: trace = 2.451789517958568 (3.35774e-08% change) linmin: converged after 4 iterations. iteration 1027: trace = 2.451789517439551 (2.11689e-08% change) linmin: converged after 5 iterations. iteration 1028: trace = 2.451789516938425 (2.04392e-08% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.45178951636189 (2.35149e-08% change) linmin: converged after 4 iterations. iteration 1030: trace = 2.451789515625428 (3.00377e-08% change) linmin: converged after 5 iterations. iteration 1031: trace = 2.451789514847983 (3.17093e-08% change) large trace change predicted (7.18198e-08%) linmin: converged after 3 iterations. iteration 1032: trace = 2.451789513087109 (7.182e-08% change) linmin: converged after 7 iterations. iteration 1033: trace = 2.451789512566876 (2.12185e-08% change) linmin: converged after 15 iterations. iteration 1034: trace = 2.451789511630865 (3.81767e-08% change) linmin: converged after 2 iterations. iteration 1035: trace = 2.451789510064173 (6.38999e-08% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.451789509702204 (1.47634e-08% change) large trace change predicted (4.24194e-08%) linmin: converged after 6 iterations. iteration 1037: trace = 2.451789508662174 (4.24192e-08% change) linmin: converged after 28 iterations. iteration 1038: trace = 2.451789507461098 (4.89877e-08% change) linmin: converged after 4 iterations. iteration 1039: trace = 2.451789506606025 (3.48755e-08% change) linmin: converged after 18 iterations. iteration 1040: trace = 2.451789506409705 (8.00722e-09% change) large trace change predicted (3.02161e-08%) linmin: converged after 4 iterations. iteration 1041: trace = 2.451789505668874 (3.02159e-08% change) linmin: converged after 13 iterations. iteration 1042: trace = 2.451789505435705 (9.51014e-09% change) linmin: converged after 2 iterations. iteration 1043: trace = 2.451789505158259 (1.13161e-08% change) linmin: converged after 3 iterations. iteration 1044: trace = 2.451789504774739 (1.56425e-08% change) linmin: converged after 20 iterations. iteration 1045: trace = 2.451789504329974 (1.81404e-08% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.451789504003197 (1.33281e-08% change) linmin: converged after 2 iterations. iteration 1047: trace = 2.451789503590501 (1.68324e-08% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.451789503330634 (1.05991e-08% change) linmin: converged after 28 iterations. iteration 1049: trace = 2.451789503128339 (8.2509e-09% change) resetting CG direction... linmin: converged after 9 iterations. iteration 1050: trace = 2.451789502962016 (6.78374e-09% change) linmin: converged after 13 iterations. iteration 1051: trace = 2.451789502784436 (7.24288e-09% change) large trace change predicted (1.47416e-08%) linmin: converged after 9 iterations. iteration 1052: trace = 2.451789502423002 (1.47417e-08% change) linmin: converged after 8 iterations. iteration 1053: trace = 2.451789502164915 (1.05265e-08% change) linmin: converged after 5 iterations. iteration 1054: trace = 2.451789501825544 (1.38418e-08% change) linmin: converged after 5 iterations. iteration 1055: trace = 2.451789501411684 (1.68799e-08% change) linmin: converged after 16 iterations. iteration 1056: trace = 2.451789501173288 (9.72333e-09% change) linmin: converged after 6 iterations. iteration 1057: trace = 2.451789500828162 (1.40765e-08% change) linmin: converged after 6 iterations. iteration 1058: trace = 2.451789500177974 (2.65189e-08% change) linmin: converged after 5 iterations. iteration 1059: trace = 2.451789500037444 (5.73174e-09% change) large trace change predicted (2.99825e-08%) linmin: converged after 10 iterations. iteration 1060: trace = 2.451789499302327 (2.99829e-08% change) linmin: converged after 3 iterations. iteration 1061: trace = 2.451789498557349 (3.03851e-08% change) linmin: converged after 3 iterations. iteration 1062: trace = 2.451789498039462 (2.11228e-08% change) linmin: converged after 4 iterations. iteration 1063: trace = 2.45178949738404 (2.67324e-08% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.45178949622907 (4.71072e-08% change) linmin: converged after 22 iterations. iteration 1065: trace = 2.451789495305421 (3.76725e-08% change) linmin: converged after 21 iterations. iteration 1066: trace = 2.451789494721137 (2.38309e-08% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.45178949360109 (4.56828e-08% change) linmin: converged after 8 iterations. iteration 1068: trace = 2.451789492856723 (3.03601e-08% change) linmin: converged after 10 iterations. iteration 1069: trace = 2.45178949229224 (2.30233e-08% change) linmin: converged after 4 iterations. iteration 1070: trace = 2.451789491797887 (2.01629e-08% change) linmin: converged after 5 iterations. iteration 1071: trace = 2.451789491365316 (1.76431e-08% change) linmin: converged after 24 iterations. iteration 1072: trace = 2.451789491118513 (1.00662e-08% change) large trace change predicted (2.96234e-08%) linmin: converged after 10 iterations. iteration 1073: trace = 2.451789490392196 (2.96239e-08% change) linmin: converged after 13 iterations. iteration 1074: trace = 2.451789490292126 (4.08152e-09% change) large trace change predicted (2.13499e-08%) linmin: converged after 6 iterations. iteration 1075: trace = 2.45178948976867 (2.135e-08% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.451789489385334 (1.56349e-08% change) linmin: converged after 6 iterations. iteration 1077: trace = 2.451789489219977 (6.74434e-09% change) large trace change predicted (1.81852e-08%) linmin: converged after 25 iterations. iteration 1078: trace = 2.451789488774115 (1.81852e-08% change) linmin: converged after 4 iterations. iteration 1079: trace = 2.451789488193018 (2.37009e-08% change) linmin: converged after 4 iterations. iteration 1080: trace = 2.451789487810412 (1.56052e-08% change) linmin: converged after 25 iterations. iteration 1081: trace = 2.451789487217555 (2.41806e-08% change) large trace change predicted (5.80925e-08%) linmin: converged after 5 iterations. iteration 1082: trace = 2.451789485793301 (5.80904e-08% change) linmin: converged after 3 iterations. iteration 1083: trace = 2.451789484321333 (6.00365e-08% change) linmin: converged after 3 iterations. iteration 1084: trace = 2.451789483715688 (2.47022e-08% change) large trace change predicted (5.20395e-08%) linmin: converged after 4 iterations. iteration 1085: trace = 2.451789482439815 (5.20384e-08% change) linmin: converged after 17 iterations. iteration 1086: trace = 2.451789480615766 (7.43967e-08% change) linmin: converged after 23 iterations. iteration 1087: trace = 2.451789480057849 (2.27555e-08% change) linmin: converged after 3 iterations. iteration 1088: trace = 2.451789479697598 (1.46934e-08% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.451789479318219 (1.54735e-08% change) linmin: converged after 7 iterations. iteration 1090: trace = 2.451789479135877 (7.43712e-09% change) linmin: converged after 3 iterations. iteration 1091: trace = 2.451789478962792 (7.05951e-09% change) large trace change predicted (1.42707e-08%) linmin: converged after 4 iterations. iteration 1092: trace = 2.451789478612902 (1.42708e-08% change) linmin: converged after 15 iterations. iteration 1093: trace = 2.451789478422191 (7.77848e-09% change) linmin: converged after 34 iterations. iteration 1094: trace = 2.451789478208868 (8.70069e-09% change) large trace change predicted (3.48622e-08%) linmin: converged after 5 iterations. iteration 1095: trace = 2.451789477354111 (3.48626e-08% change) linmin: converged after 7 iterations. iteration 1096: trace = 2.451789477140853 (8.69805e-09% change) large trace change predicted (4.79724e-08%) linmin: converged after 4 iterations. iteration 1097: trace = 2.451789475964652 (4.79732e-08% change) linmin: converged after 10 iterations. iteration 1098: trace = 2.451789475110714 (3.48292e-08% change) linmin: converged after 9 iterations. iteration 1099: trace = 2.451789474615168 (2.02116e-08% change) linmin: converged after 15 iterations. iteration 1100: trace = 2.451789474057113 (2.27611e-08% change) linmin: converged after 2 iterations. iteration 1101: trace = 2.451789472951869 (4.50791e-08% change) linmin: converged after 3 iterations. iteration 1102: trace = 2.451789472627342 (1.32363e-08% change) large trace change predicted (4.17731e-08%) linmin: converged after 4 iterations. iteration 1103: trace = 2.451789471603143 (4.17735e-08% change) linmin: converged after 6 iterations. iteration 1104: trace = 2.451789470678366 (3.77185e-08% change) linmin: converged after 23 iterations. iteration 1105: trace = 2.451789470466405 (8.64518e-09% change) large trace change predicted (3.40001e-08%) linmin: converged after 4 iterations. iteration 1106: trace = 2.451789469632787 (3.40004e-08% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.451789469155216 (1.94785e-08% change) linmin: converged after 18 iterations. iteration 1108: trace = 2.451789468979577 (7.16369e-09% change) large trace change predicted (1.51594e-08%) linmin: converged after 12 iterations. iteration 1109: trace = 2.451789468607901 (1.51594e-08% change) linmin: converged after 7 iterations. iteration 1110: trace = 2.451789468055926 (2.25131e-08% change) linmin: converged after 3 iterations. iteration 1111: trace = 2.451789467543086 (2.09169e-08% change) linmin: converged after 5 iterations. iteration 1112: trace = 2.451789467372647 (6.95164e-09% change) large trace change predicted (3.2074e-08%) linmin: converged after 3 iterations. iteration 1113: trace = 2.451789466586261 (3.20739e-08% change) linmin: converged after 3 iterations. iteration 1114: trace = 2.451789466215636 (1.51165e-08% change) linmin: converged after 16 iterations. iteration 1115: trace = 2.451789465543267 (2.74236e-08% change) large trace change predicted (5.78277e-08%) linmin: converged after 4 iterations. iteration 1116: trace = 2.451789464125439 (5.78283e-08% change) linmin: converged after 6 iterations. iteration 1117: trace = 2.451789463598613 (2.14874e-08% change) linmin: converged after 2 iterations. iteration 1118: trace = 2.451789462772691 (3.36865e-08% change) large trace change predicted (2.24586e-07%) linmin: converged after 16 iterations. iteration 1119: trace = 2.4517894572662 (2.24591e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.451789454800628 (1.00562e-07% change) linmin: converged after 4 iterations. iteration 1121: trace = 2.451789453900319 (3.67205e-08% change) linmin: converged after 3 iterations. iteration 1122: trace = 2.451789453020805 (3.58724e-08% change) linmin: converged after 6 iterations. iteration 1123: trace = 2.451789451877852 (4.66171e-08% change) linmin: converged after 3 iterations. iteration 1124: trace = 2.451789451058146 (3.3433e-08% change) linmin: converged after 23 iterations. iteration 1125: trace = 2.451789450292417 (3.12314e-08% change) linmin: converged after 28 iterations. iteration 1126: trace = 2.451789449846724 (1.81783e-08% change) linmin: converged after 4 iterations. iteration 1127: trace = 2.451789449739992 (4.35323e-09% change) large trace change predicted (1.71206e-08%) linmin: converged after 20 iterations. iteration 1128: trace = 2.451789449320231 (1.71206e-08% change) linmin: converged after 5 iterations. iteration 1129: trace = 2.451789449162853 (6.41887e-09% change) linmin: converged after 5 iterations. iteration 1130: trace = 2.451789448977824 (7.54669e-09% change) linmin: converged after 19 iterations. iteration 1131: trace = 2.451789448732061 (1.00239e-08% change) linmin: converged after 5 iterations. iteration 1132: trace = 2.451789448580512 (6.18114e-09% change) linmin: converged after 9 iterations. iteration 1133: trace = 2.451789448434489 (5.95576e-09% change) large trace change predicted (1.70511e-08%) linmin: converged after 4 iterations. iteration 1134: trace = 2.451789448016434 (1.7051e-08% change) linmin: converged after 4 iterations. iteration 1135: trace = 2.451789447897852 (4.83657e-09% change) large trace change predicted (2.00637e-08%) linmin: converged after 4 iterations. iteration 1136: trace = 2.451789447405936 (2.00635e-08% change) linmin: converged after 3 iterations. iteration 1137: trace = 2.451789446929933 (1.94145e-08% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.451789446724038 (8.39776e-09% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.451789446344243 (1.54905e-08% change) linmin: converged after 9 iterations. iteration 1140: trace = 2.45178944594209 (1.64024e-08% change) linmin: converged after 17 iterations. iteration 1141: trace = 2.451789445712825 (9.35093e-09% change) linmin: converged after 4 iterations. iteration 1142: trace = 2.451789445324603 (1.58342e-08% change) linmin: converged after 4 iterations. iteration 1143: trace = 2.451789444874431 (1.83609e-08% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.451789444802293 (2.94227e-09% change) large trace change predicted (1.74985e-08%) linmin: converged after 5 iterations. iteration 1145: trace = 2.451789444373273 (1.74983e-08% change) linmin: converged after 14 iterations. iteration 1146: trace = 2.451789444197008 (7.18921e-09% change) linmin: converged after 5 iterations. iteration 1147: trace = 2.451789443999578 (8.05251e-09% change) linmin: converged after 17 iterations. iteration 1148: trace = 2.451789443967304 (1.31635e-09% change) large trace change predicted (3.92356e-09%) linmin: converged after 17 iterations. iteration 1149: trace = 2.451789443871107 (3.92352e-09% change) linmin: converged after 12 iterations. iteration 1150: trace = 2.451789443739499 (5.36784e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.451789443650296 (3.63828e-09% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.451789443487256 (6.64987e-09% change) large trace change predicted (1.54921e-08%) linmin: converged after 16 iterations. iteration 1153: trace = 2.451789443107419 (1.54922e-08% change) linmin: converged after 6 iterations. iteration 1154: trace = 2.451789442959 (6.05348e-09% change) large trace change predicted (1.78009e-08%) linmin: converged after 4 iterations. iteration 1155: trace = 2.451789442522556 (1.78011e-08% change) linmin: converged after 8 iterations. iteration 1156: trace = 2.451789442034507 (1.99058e-08% change) linmin: converged after 6 iterations. iteration 1157: trace = 2.451789441869777 (6.71875e-09% change) large trace change predicted (1.91735e-08%) linmin: converged after 9 iterations. iteration 1158: trace = 2.451789441399677 (1.91737e-08% change) linmin: converged after 14 iterations. iteration 1159: trace = 2.451789441022405 (1.53876e-08% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.45178944093529 (3.55313e-09% change) large trace change predicted (7.82666e-09%) linmin: converged after 8 iterations. iteration 1161: trace = 2.451789440743395 (7.82673e-09% change) linmin: converged after 15 iterations. iteration 1162: trace = 2.451789440575512 (6.84737e-09% change) linmin: converged after 4 iterations. iteration 1163: trace = 2.451789440533234 (1.72436e-09% change) large trace change predicted (3.9798e-09%) linmin: converged after 19 iterations. iteration 1164: trace = 2.451789440435655 (3.9799e-09% change) linmin: converged after 4 iterations. iteration 1165: trace = 2.451789440316674 (4.85282e-09% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.451789440273216 (1.77252e-09% change) large trace change predicted (5.59232e-09%) linmin: converged after 17 iterations. iteration 1167: trace = 2.451789440136105 (5.59229e-09% change) linmin: converged after 10 iterations. iteration 1168: trace = 2.451789439956406 (7.3293e-09% change) linmin: converged after 8 iterations. iteration 1169: trace = 2.45178943988431 (2.94055e-09% change) linmin: converged after 5 iterations. iteration 1170: trace = 2.451789439783332 (4.11852e-09% change) large trace change predicted (9.80716e-09%) linmin: converged after 3 iterations. iteration 1171: trace = 2.451789439542881 (9.80717e-09% change) linmin: converged after 30 iterations. iteration 1172: trace = 2.451789439491519 (2.09488e-09% change) large trace change predicted (7.7296e-09%) linmin: converged after 7 iterations. iteration 1173: trace = 2.451789439302004 (7.72966e-09% change) linmin: converged after 25 iterations. iteration 1174: trace = 2.451789438979144 (1.31683e-08% change) linmin: converged after 22 iterations. iteration 1175: trace = 2.451789438861095 (4.81482e-09% change) large trace change predicted (1.15483e-08%) linmin: converged after 13 iterations. iteration 1176: trace = 2.451789438577952 (1.15485e-08% change) linmin: converged after 3 iterations. iteration 1177: trace = 2.451789438316322 (1.0671e-08% change) linmin: converged after 6 iterations. iteration 1178: trace = 2.451789438158082 (6.45403e-09% change) linmin: converged after 9 iterations. iteration 1179: trace = 2.451789438091058 (2.7337e-09% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.451789437960886 (5.30928e-09% change) linmin: converged after 18 iterations. iteration 1181: trace = 2.451789437810039 (6.15252e-09% change) linmin: converged after 2 iterations. iteration 1182: trace = 2.451789437784512 (1.04116e-09% change) large trace change predicted (3.34086e-09%) linmin: converged after 22 iterations. iteration 1183: trace = 2.4517894377026 (3.34088e-09% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.451789437626897 (3.08766e-09% change) linmin: converged after 4 iterations. iteration 1185: trace = 2.451789437594309 (1.32914e-09% change) large trace change predicted (3.49077e-09%) linmin: converged after 16 iterations. iteration 1186: trace = 2.451789437508722 (3.4908e-09% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.451789437423225 (3.48712e-09% change) linmin: converged after 8 iterations. iteration 1188: trace = 2.451789437381752 (1.69154e-09% change) linmin: converged after 13 iterations. iteration 1189: trace = 2.45178943733497 (1.9081e-09% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1190: trace = 2.451789437298785 (1.47584e-09% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.4517894372732 (1.04355e-09% change) large trace change predicted (2.24058e-09%) linmin: converged after 3 iterations. iteration 1192: trace = 2.451789437218267 (2.24052e-09% change) linmin: converged after 27 iterations. iteration 1193: trace = 2.451789437180832 (1.52682e-09% change) linmin: converged after 2 iterations. iteration 1194: trace = 2.451789437115108 (2.68065e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.45178943702815 (3.54672e-09% change) linmin: converged after 9 iterations. iteration 1196: trace = 2.451789436981476 (1.90368e-09% change) linmin: converged after 10 iterations. iteration 1197: trace = 2.451789436907156 (3.03126e-09% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.451789436782107 (5.10031e-09% change) linmin: converged after 7 iterations. iteration 1199: trace = 2.451789436754382 (1.1308e-09% change) large trace change predicted (4.92148e-09%) linmin: converged after 4 iterations. iteration 1200: trace = 2.451789436633713 (4.9217e-09% change) linmin: converged after 4 iterations. iteration 1201: trace = 2.45178943651096 (5.00663e-09% change) linmin: converged after 4 iterations. iteration 1202: trace = 2.451789436451737 (2.41553e-09% change) large trace change predicted (7.0607e-09%) linmin: converged after 17 iterations. iteration 1203: trace = 2.451789436278625 (7.06063e-09% change) linmin: converged after 2 iterations. iteration 1204: trace = 2.451789436022101 (1.04627e-08% change) linmin: converged after 3 iterations. iteration 1205: trace = 2.45178943583682 (7.55699e-09% change) linmin: converged after 19 iterations. iteration 1206: trace = 2.451789435709842 (5.17897e-09% change) linmin: converged after 8 iterations. iteration 1207: trace = 2.451789435513479 (8.00896e-09% change) linmin: converged after 4 iterations. iteration 1208: trace = 2.451789435382537 (5.34067e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.451789435301188 (3.31795e-09% change) linmin: converged after 7 iterations. iteration 1210: trace = 2.451789435203965 (3.96541e-09% change) linmin: converged after 4 iterations. iteration 1211: trace = 2.451789435127112 (3.13456e-09% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.451789435049508 (3.1652e-09% change) linmin: converged after 32 iterations. iteration 1213: trace = 2.451789434904809 (5.90177e-09% change) linmin: converged after 15 iterations. iteration 1214: trace = 2.451789434881218 (9.62173e-10% change) large trace change predicted (3.17579e-09%) linmin: converged after 4 iterations. iteration 1215: trace = 2.451789434803358 (3.17567e-09% change) linmin: converged after 4 iterations. iteration 1216: trace = 2.451789434739968 (2.58545e-09% change) linmin: converged after 21 iterations. iteration 1217: trace = 2.451789434713268 (1.08898e-09% change) large trace change predicted (4.89033e-09%) linmin: converged after 2 iterations. iteration 1218: trace = 2.451789434593366 (4.8904e-09% change) linmin: converged after 3 iterations. iteration 1219: trace = 2.45178943447074 (5.0015e-09% change) linmin: converged after 24 iterations. iteration 1220: trace = 2.451789434357741 (4.60882e-09% change) linmin: converged after 11 iterations. iteration 1221: trace = 2.451789434267978 (3.66113e-09% change) large trace change predicted (1.03021e-08%) linmin: converged after 4 iterations. iteration 1222: trace = 2.451789434015397 (1.03019e-08% change) linmin: converged after 4 iterations. iteration 1223: trace = 2.451789433696972 (1.29874e-08% change) linmin: converged after 17 iterations. iteration 1224: trace = 2.451789433552949 (5.87422e-09% change) linmin: converged after 18 iterations. iteration 1225: trace = 2.451789433334862 (8.89501e-09% change) linmin: converged after 16 iterations. iteration 1226: trace = 2.451789433006891 (1.33768e-08% change) linmin: converged after 19 iterations. iteration 1227: trace = 2.451789432888533 (4.8274e-09% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.451789432857472 (1.26685e-09% change) linmin: converged after 5 iterations. iteration 1229: trace = 2.451789432798414 (2.40878e-09% change) linmin: converged after 9 iterations. iteration 1230: trace = 2.451789432764895 (1.36714e-09% change) linmin: converged after 11 iterations. iteration 1231: trace = 2.451789432735394 (1.20322e-09% change) large trace change predicted (3.08777e-09%) linmin: converged after 7 iterations. iteration 1232: trace = 2.45178943265969 (3.08774e-09% change) linmin: converged after 15 iterations. iteration 1233: trace = 2.45178943258334 (3.11405e-09% change) linmin: converged after 22 iterations. iteration 1234: trace = 2.451789432553883 (1.20144e-09% change) large trace change predicted (6.79587e-09%) linmin: converged after 28 iterations. iteration 1235: trace = 2.451789432387259 (6.79602e-09% change) linmin: converged after 31 iterations. iteration 1236: trace = 2.451789432301247 (3.5081e-09% change) linmin: converged after 4 iterations. iteration 1237: trace = 2.451789432131185 (6.93625e-09% change) linmin: converged after 24 iterations. iteration 1238: trace = 2.451789431936088 (7.95732e-09% change) linmin: converged after 2 iterations. iteration 1239: trace = 2.451789431839116 (3.95516e-09% change) linmin: converged after 2 iterations. iteration 1240: trace = 2.451789431722921 (4.73921e-09% change) linmin: converged after 14 iterations. iteration 1241: trace = 2.451789431521154 (8.22938e-09% change) linmin: converged after 15 iterations. iteration 1242: trace = 2.451789431440544 (3.28777e-09% change) linmin: converged after 5 iterations. iteration 1243: trace = 2.45178943129167 (6.07208e-09% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.451789431119233 (7.0331e-09% change) linmin: converged after 18 iterations. iteration 1245: trace = 2.45178943107434 (1.83101e-09% change) large trace change predicted (5.58916e-09%) linmin: converged after 6 iterations. iteration 1246: trace = 2.451789430937306 (5.58918e-09% change) linmin: converged after 22 iterations. iteration 1247: trace = 2.451789430836432 (4.1143e-09% change) linmin: converged after 5 iterations. iteration 1248: trace = 2.451789430763661 (2.96805e-09% change) linmin: converged after 7 iterations. iteration 1249: trace = 2.451789430731146 (1.32619e-09% change) large trace change predicted (3.85144e-09%) linmin: converged after 6 iterations. iteration 1250: trace = 2.451789430636717 (3.85143e-09% change) linmin: converged after 7 iterations. iteration 1251: trace = 2.451789430524508 (4.57663e-09% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.45178943050049 (9.79616e-10% change) large trace change predicted (5.12696e-09%) linmin: converged after 7 iterations. iteration 1253: trace = 2.451789430374786 (5.12703e-09% change) linmin: converged after 9 iterations. iteration 1254: trace = 2.451789430219521 (6.33271e-09% change) linmin: converged after 24 iterations. iteration 1255: trace = 2.451789430140737 (3.21331e-09% change) large trace change predicted (1.58627e-08%) linmin: converged after 2 iterations. iteration 1256: trace = 2.45178942975182 (1.58626e-08% change) linmin: converged after 16 iterations. iteration 1257: trace = 2.451789429588243 (6.67173e-09% change) linmin: converged after 3 iterations. iteration 1258: trace = 2.451789429446933 (5.76353e-09% change) large trace change predicted (2.40766e-08%) linmin: converged after 7 iterations. iteration 1259: trace = 2.451789428856623 (2.40767e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.451789428379108 (1.94762e-08% change) linmin: converged after 24 iterations. iteration 1261: trace = 2.451789428292885 (3.51674e-09% change) linmin: converged after 21 iterations. iteration 1262: trace = 2.451789428123229 (6.91969e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.451789427827525 (1.20607e-08% change) linmin: converged after 4 iterations. iteration 1264: trace = 2.451789427769957 (2.34799e-09% change) large trace change predicted (5.20359e-09%) linmin: converged after 20 iterations. iteration 1265: trace = 2.451789427642376 (5.20357e-09% change) linmin: converged after 3 iterations. iteration 1266: trace = 2.451789427556736 (3.49296e-09% change) linmin: converged after 4 iterations. iteration 1267: trace = 2.451789427538553 (7.41649e-10% change) large trace change predicted (3.0906e-09%) linmin: converged after 6 iterations. iteration 1268: trace = 2.45178942746278 (3.09053e-09% change) linmin: converged after 4 iterations. iteration 1269: trace = 2.451789427409696 (2.16508e-09% change) linmin: converged after 10 iterations. iteration 1270: trace = 2.451789427387325 (9.12435e-10% change) linmin: converged after 22 iterations. iteration 1271: trace = 2.451789427345755 (1.69551e-09% change) linmin: converged after 19 iterations. iteration 1272: trace = 2.451789427301454 (1.80687e-09% change) linmin: converged after 7 iterations. iteration 1273: trace = 2.451789427277019 (9.96642e-10% change) large trace change predicted (3.61819e-09%) linmin: converged after 25 iterations. iteration 1274: trace = 2.451789427188312 (3.61804e-09% change) linmin: converged after 6 iterations. iteration 1275: trace = 2.451789427104732 (3.40895e-09% change) linmin: converged after 12 iterations. iteration 1276: trace = 2.451789427067474 (1.5196e-09% change) large trace change predicted (3.7725e-09%) linmin: converged after 30 iterations. iteration 1277: trace = 2.451789426974981 (3.77247e-09% change) linmin: converged after 19 iterations. iteration 1278: trace = 2.451789426886685 (3.60131e-09% change) linmin: converged after 18 iterations. iteration 1279: trace = 2.451789426855997 (1.25163e-09% change) large trace change predicted (3.21873e-09%) linmin: converged after 23 iterations. iteration 1280: trace = 2.451789426777082 (3.21869e-09% change) linmin: converged after 4 iterations. iteration 1281: trace = 2.451789426675311 (4.15087e-09% change) linmin: converged after 9 iterations. iteration 1282: trace = 2.451789426652206 (9.42394e-10% change) large trace change predicted (4.15518e-09%) linmin: converged after 4 iterations. iteration 1283: trace = 2.451789426550331 (4.15513e-09% change) linmin: converged after 19 iterations. iteration 1284: trace = 2.451789426493461 (2.31953e-09% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.451789426461265 (1.31315e-09% change) linmin: converged after 6 iterations. iteration 1286: trace = 2.451789426430333 (1.26162e-09% change) linmin: converged after 16 iterations. iteration 1287: trace = 2.451789426389659 (1.65894e-09% change) linmin: converged after 12 iterations. iteration 1288: trace = 2.451789426383331 (2.58126e-10% change) large trace change predicted (8.90228e-10%) linmin: converged after 7 iterations. iteration 1289: trace = 2.451789426361502 (8.90301e-10% change) linmin: converged after 16 iterations. iteration 1290: trace = 2.451789426338924 (9.20876e-10% change) linmin: converged after 2 iterations. iteration 1291: trace = 2.45178942633073 (3.342e-10% change) large trace change predicted (1.92757e-09%) linmin: converged after 4 iterations. iteration 1292: trace = 2.451789426283468 (1.92766e-09% change) linmin: converged after 19 iterations. iteration 1293: trace = 2.451789426194652 (3.6225e-09% change) linmin: converged after 5 iterations. iteration 1294: trace = 2.451789426103259 (3.72763e-09% change) linmin: converged after 16 iterations. iteration 1295: trace = 2.451789426067078 (1.47569e-09% change) large trace change predicted (5.55816e-09%) linmin: converged after 7 iterations. iteration 1296: trace = 2.451789425930798 (5.55837e-09% change) linmin: converged after 7 iterations. iteration 1297: trace = 2.451789425838819 (3.75154e-09% change) linmin: converged after 2 iterations. iteration 1298: trace = 2.451789425817384 (8.74235e-10% change) large trace change predicted (1.7951e-09%) linmin: converged after 17 iterations. iteration 1299: trace = 2.451789425773376 (1.79495e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.451789425736601 (1.49991e-09% change) linmin: converged after 8 iterations. iteration 1301: trace = 2.451789425721344 (6.22285e-10% change) large trace change predicted (1.47483e-09%) linmin: converged after 3 iterations. iteration 1302: trace = 2.451789425685182 (1.47493e-09% change) linmin: converged after 9 iterations. iteration 1303: trace = 2.451789425662749 (9.14953e-10% change) linmin: converged after 5 iterations. iteration 1304: trace = 2.451789425643686 (7.77531e-10% change) linmin: converged after 4 iterations. iteration 1305: trace = 2.45178942563422 (3.86094e-10% change) large trace change predicted (1.52913e-09%) linmin: converged after 5 iterations. iteration 1306: trace = 2.45178942559673 (1.52907e-09% change) linmin: converged after 10 iterations. iteration 1307: trace = 2.451789425586465 (4.18697e-10% change) large trace change predicted (9.5648e-10%) linmin: converged after 2 iterations. iteration 1308: trace = 2.451789425563012 (9.5654e-10% change) linmin: converged after 2 iterations. iteration 1309: trace = 2.451789425534362 (1.16855e-09% change) linmin: converged after 3 iterations. iteration 1310: trace = 2.451789425524134 (4.17139e-10% change) large trace change predicted (2.13933e-09%) linmin: converged after 3 iterations. iteration 1311: trace = 2.451789425471684 (2.13927e-09% change) linmin: converged after 3 iterations. iteration 1312: trace = 2.451789425431605 (1.63469e-09% change) linmin: converged after 15 iterations. iteration 1313: trace = 2.451789425410803 (8.48443e-10% change) large trace change predicted (2.72865e-09%) linmin: converged after 18 iterations. iteration 1314: trace = 2.451789425343902 (2.72865e-09% change) linmin: converged after 3 iterations. iteration 1315: trace = 2.451789425283307 (2.47146e-09% change) linmin: converged after 4 iterations. iteration 1316: trace = 2.451789425267598 (6.40724e-10% change) large trace change predicted (1.84938e-09%) linmin: converged after 18 iterations. iteration 1317: trace = 2.451789425222254 (1.84943e-09% change) linmin: converged after 2 iterations. iteration 1318: trace = 2.451789425189775 (1.3247e-09% change) linmin: converged after 3 iterations. iteration 1319: trace = 2.4517894251737 (6.55613e-10% change) linmin: converged after 15 iterations. iteration 1320: trace = 2.451789425154975 (7.63729e-10% change) linmin: converged after 2 iterations. iteration 1321: trace = 2.451789425126667 (1.1546e-09% change) linmin: converged after 3 iterations. iteration 1322: trace = 2.451789425108425 (7.4404e-10% change) linmin: converged after 8 iterations. iteration 1323: trace = 2.451789425098407 (4.08572e-10% change) linmin: converged after 8 iterations. iteration 1324: trace = 2.451789425084184 (5.80119e-10% change) linmin: converged after 2 iterations. iteration 1325: trace = 2.451789425063255 (8.53605e-10% change) linmin: converged after 6 iterations. iteration 1326: trace = 2.451789425056839 (2.61713e-10% change) linmin: converged after 5 iterations. iteration 1327: trace = 2.451789425047832 (3.67365e-10% change) linmin: converged after 3 iterations. iteration 1328: trace = 2.451789425036651 (4.56046e-10% change) linmin: converged after 13 iterations. iteration 1329: trace = 2.451789425031384 (2.14819e-10% change) resetting CG direction... linmin: converged after 2 iterations. iteration 1330: trace = 2.451789425026402 (2.03172e-10% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.451789425016593 (4.00077e-10% change) linmin: converged after 9 iterations. iteration 1332: trace = 2.451789425010061 (2.6644e-10% change) linmin: converged after 5 iterations. iteration 1333: trace = 2.451789425002254 (3.18424e-10% change) large trace change predicted (7.97431e-10%) linmin: converged after 4 iterations. iteration 1334: trace = 2.451789424982703 (7.97401e-10% change) linmin: converged after 3 iterations. iteration 1335: trace = 2.451789424972215 (4.27771e-10% change) linmin: converged after 4 iterations. iteration 1336: trace = 2.451789424958625 (5.54308e-10% change) linmin: converged after 3 iterations. iteration 1337: trace = 2.45178942494128 (7.07434e-10% change) linmin: converged after 15 iterations. iteration 1338: trace = 2.451789424926077 (6.20058e-10% change) linmin: converged after 15 iterations. iteration 1339: trace = 2.451789424912029 (5.72964e-10% change) linmin: converged after 13 iterations. iteration 1340: trace = 2.451789424884935 (1.10508e-09% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.451789424872765 (4.96383e-10% change) linmin: converged after 16 iterations. iteration 1342: trace = 2.451789424848576 (9.86589e-10% change) linmin: converged after 17 iterations. iteration 1343: trace = 2.451789424808531 (1.63327e-09% change) linmin: converged after 5 iterations. iteration 1344: trace = 2.451789424772227 (1.48071e-09% change) linmin: converged after 4 iterations. iteration 1345: trace = 2.451789424748269 (9.77171e-10% change) large trace change predicted (2.167e-09%) linmin: converged after 2 iterations. iteration 1346: trace = 2.451789424695141 (2.16691e-09% change) linmin: converged after 7 iterations. iteration 1347: trace = 2.451789424658118 (1.51003e-09% change) linmin: converged after 3 iterations. iteration 1348: trace = 2.451789424647823 (4.19892e-10% change) large trace change predicted (1.61363e-09%) linmin: converged after 17 iterations. iteration 1349: trace = 2.451789424608258 (1.61373e-09% change) linmin: converged after 2 iterations. iteration 1350: trace = 2.451789424591985 (6.63728e-10% change) linmin: converged after 3 iterations. iteration 1351: trace = 2.451789424579163 (5.22973e-10% change) linmin: converged after 4 iterations. iteration 1352: trace = 2.451789424562327 (6.86677e-10% change) linmin: converged after 21 iterations. iteration 1353: trace = 2.451789424536434 (1.05607e-09% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.45178942453202 (1.80024e-10% change) large trace change predicted (7.29568e-10%) linmin: converged after 14 iterations. iteration 1355: trace = 2.451789424514134 (7.29514e-10% change) linmin: converged after 22 iterations. iteration 1356: trace = 2.451789424503403 (4.37697e-10% change) linmin: converged after 12 iterations. iteration 1357: trace = 2.451789424496385 (2.86238e-10% change) large trace change predicted (1.01752e-09%) linmin: converged after 2 iterations. iteration 1358: trace = 2.451789424471436 (1.0176e-09% change) linmin: converged after 2 iterations. iteration 1359: trace = 2.451789424457727 (5.59108e-10% change) linmin: converged after 4 iterations. iteration 1360: trace = 2.451789424441401 (6.65901e-10% change) large trace change predicted (1.5215e-09%) linmin: converged after 20 iterations. iteration 1361: trace = 2.4517894244041 (1.52139e-09% change) linmin: converged after 16 iterations. iteration 1362: trace = 2.451789424350351 (2.19222e-09% change) linmin: converged after 22 iterations. iteration 1363: trace = 2.451789424295335 (2.24393e-09% change) linmin: converged after 6 iterations. iteration 1364: trace = 2.451789424267806 (1.12278e-09% change) linmin: converged after 3 iterations. iteration 1365: trace = 2.451789424216301 (2.10075e-09% change) linmin: converged after 24 iterations. iteration 1366: trace = 2.451789424151033 (2.66203e-09% change) linmin: converged after 5 iterations. iteration 1367: trace = 2.451789424137584 (5.48548e-10% change) linmin: converged after 10 iterations. iteration 1368: trace = 2.451789424118441 (7.80773e-10% change) linmin: converged after 14 iterations. iteration 1369: trace = 2.451789424105455 (5.29656e-10% change) linmin: converged after 3 iterations. iteration 1370: trace = 2.451789424096591 (3.61551e-10% change) linmin: converged after 15 iterations. iteration 1371: trace = 2.451789424092687 (1.59212e-10% change) large trace change predicted (5.1949e-10%) linmin: converged after 3 iterations. iteration 1372: trace = 2.45178942407995 (5.19495e-10% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.451789424069264 (4.3585e-10% change) linmin: converged after 12 iterations. iteration 1374: trace = 2.451789424058148 (4.53383e-10% change) large trace change predicted (1.53044e-09%) linmin: converged after 25 iterations. iteration 1375: trace = 2.451789424020625 (1.53043e-09% change) linmin: converged after 4 iterations. iteration 1376: trace = 2.451789424009109 (4.69685e-10% change) large trace change predicted (1.6032e-09%) linmin: converged after 4 iterations. iteration 1377: trace = 2.451789423969804 (1.60313e-09% change) linmin: converged after 4 iterations. iteration 1378: trace = 2.451789423931909 (1.54561e-09% change) linmin: converged after 4 iterations. iteration 1379: trace = 2.451789423911547 (8.30511e-10% change) linmin: converged after 4 iterations. iteration 1380: trace = 2.451789423887948 (9.62499e-10% change) linmin: converged after 7 iterations. iteration 1381: trace = 2.451789423845258 (1.74119e-09% change) linmin: converged after 3 iterations. iteration 1382: trace = 2.451789423825225 (8.17053e-10% change) linmin: converged after 4 iterations. iteration 1383: trace = 2.451789423797294 (1.13921e-09% change) linmin: converged after 4 iterations. iteration 1384: trace = 2.451789423762372 (1.42438e-09% change) linmin: converged after 4 iterations. iteration 1385: trace = 2.451789423751556 (4.41139e-10% change) large trace change predicted (9.92415e-10%) linmin: converged after 11 iterations. iteration 1386: trace = 2.451789423727223 (9.92458e-10% change) linmin: converged after 3 iterations. iteration 1387: trace = 2.451789423706326 (8.52319e-10% change) linmin: converged after 15 iterations. iteration 1388: trace = 2.45178942369586 (4.26866e-10% change) linmin: converged after 13 iterations. iteration 1389: trace = 2.451789423685949 (4.04225e-10% change) linmin: converged after 16 iterations. iteration 1390: trace = 2.451789423666368 (7.98668e-10% change) linmin: converged after 2 iterations. iteration 1391: trace = 2.451789423645899 (8.34858e-10% change) linmin: converged after 7 iterations. iteration 1392: trace = 2.451789423639723 (2.51877e-10% change) large trace change predicted (1.12882e-09%) linmin: converged after 3 iterations. iteration 1393: trace = 2.451789423612047 (1.12883e-09% change) linmin: converged after 5 iterations. iteration 1394: trace = 2.451789423580614 (1.28203e-09% change) linmin: converged after 9 iterations. iteration 1395: trace = 2.451789423565915 (5.99518e-10% change) large trace change predicted (3.14984e-09%) linmin: converged after 2 iterations. iteration 1396: trace = 2.451789423488688 (3.14983e-09% change) linmin: converged after 9 iterations. iteration 1397: trace = 2.451789423445791 (1.74961e-09% change) linmin: converged after 16 iterations. iteration 1398: trace = 2.451789423428728 (6.9595e-10% change) large trace change predicted (4.55222e-09%) linmin: converged after 18 iterations. iteration 1399: trace = 2.451789423317114 (4.55234e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1400: trace = 2.45178942322682 (3.68278e-09% change) linmin: converged after 18 iterations. iteration 1401: trace = 2.451789423212356 (5.89954e-10% change) large trace change predicted (1.63868e-09%) linmin: converged after 3 iterations. iteration 1402: trace = 2.45178942317218 (1.63862e-09% change) linmin: converged after 3 iterations. iteration 1403: trace = 2.45178942311541 (2.31544e-09% change) linmin: converged after 7 iterations. iteration 1404: trace = 2.451789423103856 (4.71279e-10% change) large trace change predicted (1.0712e-09%) linmin: converged after 2 iterations. iteration 1405: trace = 2.451789423077589 (1.07132e-09% change) linmin: converged after 6 iterations. iteration 1406: trace = 2.451789423059963 (7.18899e-10% change) linmin: converged after 3 iterations. iteration 1407: trace = 2.451789423055987 (1.62164e-10% change) large trace change predicted (5.94047e-10%) linmin: converged after 3 iterations. iteration 1408: trace = 2.451789423041421 (5.9412e-10% change) linmin: converged after 21 iterations. iteration 1409: trace = 2.451789423035884 (2.25813e-10% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.451789423026342 (3.89209e-10% change) linmin: converged after 9 iterations. iteration 1411: trace = 2.451789423016263 (4.11089e-10% change) linmin: converged after 4 iterations. iteration 1412: trace = 2.451789423004644 (4.73869e-10% change) linmin: converged after 3 iterations. iteration 1413: trace = 2.451789422999864 (1.94967e-10% change) large trace change predicted (6.2102e-10%) linmin: converged after 10 iterations. iteration 1414: trace = 2.451789422984635 (6.21144e-10% change) linmin: converged after 24 iterations. iteration 1415: trace = 2.451789422964539 (8.19661e-10% change) linmin: converged after 3 iterations. iteration 1416: trace = 2.451789422951064 (5.4958e-10% change) linmin: converged after 2 iterations. iteration 1417: trace = 2.45178942293871 (5.03882e-10% change) linmin: converged after 17 iterations. iteration 1418: trace = 2.451789422916927 (8.88454e-10% change) linmin: converged after 12 iterations. iteration 1419: trace = 2.451789422905359 (4.7184e-10% change) linmin: converged after 6 iterations. iteration 1420: trace = 2.451789422896341 (3.678e-10% change) large trace change predicted (8.38613e-10%) linmin: converged after 18 iterations. iteration 1421: trace = 2.451789422875778 (8.38698e-10% change) linmin: converged after 3 iterations. iteration 1422: trace = 2.451789422867521 (3.36772e-10% change) linmin: converged after 10 iterations. iteration 1423: trace = 2.4517894228527 (6.04481e-10% change) linmin: converged after 19 iterations. iteration 1424: trace = 2.451789422834906 (7.25782e-10% change) linmin: converged after 4 iterations. iteration 1425: trace = 2.451789422830581 (1.76365e-10% change) linmin: converged after 6 iterations. iteration 1426: trace = 2.451789422826161 (1.80295e-10% change) linmin: converged after 12 iterations. iteration 1427: trace = 2.45178942281844 (3.1491e-10% change) linmin: converged after 5 iterations. iteration 1428: trace = 2.451789422816662 (7.25058e-11% change) Finished solving for bands 1 to 10 after 1428 iterations. tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287 elapsed time for k point: 11.978967189788818 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.528836134270658 (1.93409% change) linmin: converged after 4 iterations. iteration 2: trace = 2.510710810567917 (0.719324% change) linmin: converged after 4 iterations. iteration 3: trace = 2.494945478224396 (0.629901% change) linmin: converged after 4 iterations. iteration 4: trace = 2.491433619084531 (0.140858% change) large trace change predicted (0.375525%) linmin: converged after 9 iterations. iteration 5: trace = 2.481386223449483 (0.404092% change) linmin: converged after 4 iterations. iteration 6: trace = 2.478821683400874 (0.103405% change) linmin: converged after 4 iterations. iteration 7: trace = 2.475784108910963 (0.122616% change) linmin: converged after 4 iterations. iteration 8: trace = 2.47342152895137 (0.0954731% change) linmin: converged after 4 iterations. iteration 9: trace = 2.472471533890234 (0.0384155% change) linmin: converged after 4 iterations. iteration 10: trace = 2.47106907132682 (0.0567392% change) linmin: converged after 4 iterations. iteration 11: trace = 2.470689308827395 (0.0153695% change) large trace change predicted (0.0415688%) linmin: converged after 4 iterations. iteration 12: trace = 2.469653285759598 (0.0419413% change) linmin: converged after 4 iterations. iteration 13: trace = 2.469044058138818 (0.0246716% change) linmin: converged after 3 iterations. iteration 14: trace = 2.468577431161618 (0.0189009% change) linmin: converged after 4 iterations. iteration 15: trace = 2.467728655941253 (0.0343891% change) linmin: converged after 3 iterations. iteration 16: trace = 2.467452972912819 (0.0111722% change) large trace change predicted (0.0408236%) linmin: converged after 4 iterations. iteration 17: trace = 2.466432198644252 (0.0413781% change) linmin: converged after 4 iterations. iteration 18: trace = 2.46614376303753 (0.0116951% change) linmin: converged after 4 iterations. iteration 19: trace = 2.465689780835783 (0.0184103% change) linmin: converged after 4 iterations. iteration 20: trace = 2.465064628931712 (0.0253573% change) linmin: converged after 3 iterations. iteration 21: trace = 2.464844088512526 (0.00894704% change) large trace change predicted (0.0298107%) linmin: converged after 4 iterations. iteration 22: trace = 2.464107093730162 (0.0299047% change) linmin: converged after 5 iterations. iteration 23: trace = 2.463924821317125 (0.00739737% change) large trace change predicted (0.0205069%) linmin: converged after 3 iterations. iteration 24: trace = 2.463417676466141 (0.0205849% change) linmin: converged after 4 iterations. iteration 25: trace = 2.462917918886174 (0.0202892% change) linmin: converged after 4 iterations. iteration 26: trace = 2.462692793520248 (0.00914101% change) large trace change predicted (0.0279874%) linmin: converged after 4 iterations. iteration 27: trace = 2.462009410704481 (0.0277533% change) linmin: converged after 4 iterations. iteration 28: trace = 2.461750459728039 (0.0105184% change) large trace change predicted (0.0224555%) linmin: converged after 4 iterations. iteration 29: trace = 2.461203449306537 (0.0222229% change) linmin: converged after 4 iterations. iteration 30: trace = 2.460687241316449 (0.020976% change) linmin: converged after 4 iterations. iteration 31: trace = 2.460471967293356 (0.00874892% change) large trace change predicted (0.0259488%) linmin: converged after 4 iterations. iteration 32: trace = 2.459845011813007 (0.0254844% change) linmin: converged after 4 iterations. iteration 33: trace = 2.459427659459783 (0.0169681% change) linmin: converged after 4 iterations. iteration 34: trace = 2.459157455079938 (0.0109871% change) large trace change predicted (0.0241658%) linmin: converged after 6 iterations. iteration 35: trace = 2.458586709943367 (0.0232117% change) linmin: converged after 3 iterations. iteration 36: trace = 2.458222137346353 (0.0148296% change) linmin: converged after 4 iterations. iteration 37: trace = 2.45785999435421 (0.014733% change) linmin: converged after 8 iterations. iteration 38: trace = 2.457513632981111 (0.014093% change) linmin: converged after 4 iterations. iteration 39: trace = 2.457345367945684 (0.0068472% change) linmin: converged after 5 iterations. iteration 40: trace = 2.457030159100321 (0.012828% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456936972282718 (0.00379273% change) linmin: converged after 4 iterations. iteration 42: trace = 2.456770588243581 (0.00677224% change) linmin: converged after 4 iterations. iteration 43: trace = 2.456644639654053 (0.00512672% change) linmin: converged after 4 iterations. iteration 44: trace = 2.456574678584251 (0.00284787% change) large trace change predicted (0.00679001%) linmin: converged after 4 iterations. iteration 45: trace = 2.456409643090212 (0.00671834% change) linmin: converged after 4 iterations. iteration 46: trace = 2.456322083882434 (0.00356458% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456237757309787 (0.0034331% change) linmin: converged after 3 iterations. iteration 48: trace = 2.456190236781592 (0.00193471% change) large trace change predicted (0.00555275%) linmin: converged after 4 iterations. iteration 49: trace = 2.456054113877792 (0.00554219% change) linmin: converged after 4 iterations. iteration 50: trace = 2.456008216708386 (0.00186875% change) large trace change predicted (0.00438811%) linmin: converged after 4 iterations. iteration 51: trace = 2.455900264779816 (0.00439552% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455832002640181 (0.00277955% change) linmin: converged after 3 iterations. iteration 53: trace = 2.455712148285059 (0.00488052% change) linmin: converged after 3 iterations. iteration 54: trace = 2.45566480562526 (0.00192788% change) large trace change predicted (0.00469265%) linmin: converged after 3 iterations. iteration 55: trace = 2.455549041362796 (0.00471428% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455472533590854 (0.00311576% change) linmin: converged after 4 iterations. iteration 57: trace = 2.455355048982745 (0.00478472% change) linmin: converged after 4 iterations. iteration 58: trace = 2.455240128514053 (0.00468051% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455056447621675 (0.00748146% change) linmin: converged after 3 iterations. iteration 60: trace = 2.454878655275191 (0.00724215% change) linmin: converged after 3 iterations. iteration 61: trace = 2.454746446845817 (0.00538568% change) linmin: converged after 3 iterations. iteration 62: trace = 2.454558467425849 (0.00765809% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454455967076481 (0.00417601% change) large trace change predicted (0.00930712%) linmin: converged after 4 iterations. iteration 64: trace = 2.454225787170495 (0.00937848% change) linmin: converged after 3 iterations. iteration 65: trace = 2.454124726566585 (0.0041179% change) linmin: converged after 3 iterations. iteration 66: trace = 2.45393768415976 (0.00762184% change) linmin: converged after 5 iterations. iteration 67: trace = 2.453808635086515 (0.005259% change) linmin: converged after 6 iterations. iteration 68: trace = 2.4536224657201 (0.00758724% change) linmin: converged after 3 iterations. iteration 69: trace = 2.453501999729609 (0.00490984% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.453442737777944 (0.00241543% change) large trace change predicted (0.0062458%) linmin: converged after 4 iterations. iteration 71: trace = 2.453289568241044 (0.00624324% change) linmin: converged after 4 iterations. iteration 72: trace = 2.453139306423369 (0.0061251% change) linmin: converged after 3 iterations. iteration 73: trace = 2.453047313953293 (0.00375006% change) large trace change predicted (0.00966974%) linmin: converged after 4 iterations. iteration 74: trace = 2.452810838247347 (0.00964054% change) linmin: converged after 4 iterations. iteration 75: trace = 2.452613248556677 (0.00805597% change) linmin: converged after 6 iterations. iteration 76: trace = 2.452556218941359 (0.00232529% change) large trace change predicted (0.00551883%) linmin: converged after 4 iterations. iteration 77: trace = 2.452421478379425 (0.00549403% change) linmin: converged after 4 iterations. iteration 78: trace = 2.452337884184689 (0.0034087% change) linmin: converged after 4 iterations. iteration 79: trace = 2.452304255799918 (0.00137129% change) large trace change predicted (0.00452288%) linmin: converged after 4 iterations. iteration 80: trace = 2.452193445071391 (0.00451874% change) linmin: converged after 3 iterations. iteration 81: trace = 2.452083136881207 (0.00449845% change) linmin: converged after 7 iterations. iteration 82: trace = 2.452049770136486 (0.00136076% change) large trace change predicted (0.0042555%) linmin: converged after 6 iterations. iteration 83: trace = 2.451945081868034 (0.00426951% change) linmin: converged after 3 iterations. iteration 84: trace = 2.451875788529541 (0.0028261% change) linmin: converged after 3 iterations. iteration 85: trace = 2.451838601374629 (0.00151669% change) large trace change predicted (0.00517262%) linmin: converged after 3 iterations. iteration 86: trace = 2.451711203848058 (0.00519613% change) linmin: converged after 3 iterations. iteration 87: trace = 2.451670300587416 (0.00166837% change) linmin: converged after 3 iterations. iteration 88: trace = 2.451615303884502 (0.00224326% change) linmin: converged after 3 iterations. iteration 89: trace = 2.451565394548157 (0.00203579% change) linmin: converged after 3 iterations. iteration 90: trace = 2.451542779719338 (0.000922469% change) large trace change predicted (0.00192441%) linmin: converged after 3 iterations. iteration 91: trace = 2.451495500035742 (0.00192859% change) linmin: converged after 3 iterations. iteration 92: trace = 2.451437382440417 (0.00237073% change) linmin: converged after 8 iterations. iteration 93: trace = 2.451416418763382 (0.000855162% change) linmin: converged after 3 iterations. iteration 94: trace = 2.451379675107484 (0.00149889% change) linmin: converged after 3 iterations. iteration 95: trace = 2.451330789677618 (0.00199422% change) linmin: converged after 4 iterations. iteration 96: trace = 2.451319966066881 (0.000441541% change) large trace change predicted (0.00157751%) linmin: converged after 3 iterations. iteration 97: trace = 2.451281182459109 (0.00158216% change) linmin: converged after 3 iterations. iteration 98: trace = 2.451251800497511 (0.00119864% change) linmin: converged after 3 iterations. iteration 99: trace = 2.451242344896484 (0.000385747% change) large trace change predicted (0.00130213%) linmin: converged after 3 iterations. iteration 100: trace = 2.451210407991036 (0.00130289% change) linmin: converged after 3 iterations. iteration 101: trace = 2.451185124632041 (0.00103147% change) linmin: converged after 5 iterations. iteration 102: trace = 2.451169451345729 (0.000639419% change) large trace change predicted (0.00233857%) linmin: converged after 6 iterations. iteration 103: trace = 2.451112170428599 (0.00233691% change) linmin: converged after 4 iterations. iteration 104: trace = 2.451069633666593 (0.00173542% change) linmin: converged after 3 iterations. iteration 105: trace = 2.45101419436472 (0.00226187% change) linmin: converged after 4 iterations. iteration 106: trace = 2.450936180186137 (0.00318299% change) linmin: converged after 3 iterations. iteration 107: trace = 2.450891384751166 (0.0018277% change) linmin: converged after 4 iterations. iteration 108: trace = 2.450830392263574 (0.00248861% change) linmin: converged after 3 iterations. iteration 109: trace = 2.450789550353348 (0.00166647% change) linmin: converged after 5 iterations. iteration 110: trace = 2.450776635805771 (0.000526956% change) large trace change predicted (0.00118372%) linmin: converged after 4 iterations. iteration 111: trace = 2.450747619874162 (0.00118396% change) linmin: converged after 3 iterations. iteration 112: trace = 2.450708423724478 (0.00159937% change) linmin: converged after 3 iterations. iteration 113: trace = 2.450695634228722 (0.000521871% change) large trace change predicted (0.00227149%) linmin: converged after 3 iterations. iteration 114: trace = 2.450639896131186 (0.0022744% change) linmin: converged after 3 iterations. iteration 115: trace = 2.450616660757847 (0.000948139% change) linmin: converged after 4 iterations. iteration 116: trace = 2.450596720659853 (0.00081368% change) linmin: converged after 3 iterations. iteration 117: trace = 2.450567520338584 (0.00119157% change) linmin: converged after 5 iterations. iteration 118: trace = 2.450559845694543 (0.000313179% change) linmin: converged after 4 iterations. iteration 119: trace = 2.450544542488024 (0.00062448% change) linmin: converged after 3 iterations. iteration 120: trace = 2.450517955683939 (0.00108494% change) linmin: converged after 3 iterations. iteration 121: trace = 2.450507948005563 (0.000408391% change) large trace change predicted (0.00138501%) linmin: converged after 6 iterations. iteration 122: trace = 2.450474036353508 (0.00138387% change) linmin: converged after 4 iterations. iteration 123: trace = 2.450413225406624 (0.00248163% change) linmin: converged after 4 iterations. iteration 124: trace = 2.450399681485597 (0.000552721% change) large trace change predicted (0.00263766%) linmin: converged after 4 iterations. iteration 125: trace = 2.450335181533825 (0.00263226% change) linmin: converged after 5 iterations. iteration 126: trace = 2.450316111935002 (0.000778248% change) large trace change predicted (0.00253353%) linmin: converged after 4 iterations. iteration 127: trace = 2.450254091458041 (0.00253115% change) linmin: converged after 3 iterations. iteration 128: trace = 2.450208039654496 (0.00187949% change) linmin: converged after 4 iterations. iteration 129: trace = 2.450189708812981 (0.000748137% change) large trace change predicted (0.0021763%) linmin: converged after 4 iterations. iteration 130: trace = 2.450136474059319 (0.0021727% change) linmin: converged after 3 iterations. iteration 131: trace = 2.450076349204774 (0.00245397% change) linmin: converged after 4 iterations. iteration 132: trace = 2.450058513417881 (0.000727971% change) linmin: converged after 4 iterations. iteration 133: trace = 2.450024248881852 (0.00139853% change) linmin: converged after 6 iterations. iteration 134: trace = 2.449978331020753 (0.0018742% change) linmin: converged after 3 iterations. iteration 135: trace = 2.449968683814162 (0.000393768% change) large trace change predicted (0.00120393%) linmin: converged after 4 iterations. iteration 136: trace = 2.44993918183586 (0.00120419% change) linmin: converged after 4 iterations. iteration 137: trace = 2.44991956824943 (0.000800578% change) linmin: converged after 4 iterations. iteration 138: trace = 2.449912819881661 (0.000275453% change) linmin: converged after 3 iterations. iteration 139: trace = 2.449900501589036 (0.000502807% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.449894807456253 (0.000232423% change) linmin: converged after 3 iterations. iteration 141: trace = 2.44989218038971 (0.000107232% change) large trace change predicted (0.000347579%) linmin: converged after 4 iterations. iteration 142: trace = 2.449883664285972 (0.000347612% change) linmin: converged after 3 iterations. iteration 143: trace = 2.449876668837769 (0.000285542% change) linmin: converged after 4 iterations. iteration 144: trace = 2.449872015836894 (0.000189928% change) large trace change predicted (0.00069959%) linmin: converged after 4 iterations. iteration 145: trace = 2.449854848356567 (0.000700753% change) linmin: converged after 4 iterations. iteration 146: trace = 2.449848307803675 (0.000266978% change) linmin: converged after 3 iterations. iteration 147: trace = 2.449839702844577 (0.000351245% change) linmin: converged after 3 iterations. iteration 148: trace = 2.449826658581972 (0.000532455% change) linmin: converged after 3 iterations. iteration 149: trace = 2.449819979284587 (0.000272644% change) linmin: converged after 3 iterations. iteration 150: trace = 2.449813505447425 (0.000264258% change) linmin: converged after 3 iterations. iteration 151: trace = 2.449804579850275 (0.000364338% change) linmin: converged after 3 iterations. iteration 152: trace = 2.449797600286897 (0.000284903% change) linmin: converged after 3 iterations. iteration 153: trace = 2.44978969985222 (0.000322494% change) linmin: converged after 3 iterations. iteration 154: trace = 2.449775013132724 (0.000599511% change) linmin: converged after 3 iterations. iteration 155: trace = 2.449770908070022 (0.000167569% change) large trace change predicted (0.000429085%) linmin: converged after 3 iterations. iteration 156: trace = 2.4497603962631 (0.000429094% change) linmin: converged after 3 iterations. iteration 157: trace = 2.449754428439246 (0.000243609% change) linmin: converged after 9 iterations. iteration 158: trace = 2.449751678654519 (0.000112247% change) linmin: converged after 3 iterations. iteration 159: trace = 2.449747900517055 (0.000154225% change) linmin: converged after 3 iterations. iteration 160: trace = 2.449743866276483 (0.00016468% change) linmin: converged after 2 iterations. iteration 161: trace = 2.449742696839385 (4.77371e-05% change) large trace change predicted (0.000193751%) linmin: converged after 3 iterations. iteration 162: trace = 2.449737950163642 (0.000193762% change) linmin: converged after 3 iterations. iteration 163: trace = 2.449731593356187 (0.00025949% change) linmin: converged after 3 iterations. iteration 164: trace = 2.449729528942611 (8.4271e-05% change) large trace change predicted (0.000360113%) linmin: converged after 4 iterations. iteration 165: trace = 2.449720701149677 (0.000360359% change) linmin: converged after 4 iterations. iteration 166: trace = 2.449713846129236 (0.000279829% change) linmin: converged after 4 iterations. iteration 167: trace = 2.449711540764405 (9.41076e-05% change) large trace change predicted (0.000273551%) linmin: converged after 3 iterations. iteration 168: trace = 2.449704837156106 (0.000273649% change) linmin: converged after 3 iterations. iteration 169: trace = 2.449697310566911 (0.000307245% change) linmin: converged after 3 iterations. iteration 170: trace = 2.449695044519953 (9.25032e-05% change) large trace change predicted (0.000343592%) linmin: converged after 3 iterations. iteration 171: trace = 2.449686617793979 (0.000343991% change) linmin: converged after 3 iterations. iteration 172: trace = 2.449677838280267 (0.000358394% change) linmin: converged after 4 iterations. iteration 173: trace = 2.449674403276298 (0.000140223% change) large trace change predicted (0.000280535%) linmin: converged after 5 iterations. iteration 174: trace = 2.449667524592512 (0.0002808% change) linmin: converged after 4 iterations. iteration 175: trace = 2.449659843868781 (0.000313542% change) linmin: converged after 3 iterations. iteration 176: trace = 2.449657785869432 (8.40117e-05% change) large trace change predicted (0.000240541%) linmin: converged after 4 iterations. iteration 177: trace = 2.449651893919608 (0.000240522% change) linmin: converged after 3 iterations. iteration 178: trace = 2.449647775934057 (0.000168105% change) linmin: converged after 3 iterations. iteration 179: trace = 2.449645788577494 (8.11283e-05% change) large trace change predicted (0.000190697%) linmin: converged after 4 iterations. iteration 180: trace = 2.449641119065572 (0.00019062% change) linmin: converged after 5 iterations. iteration 181: trace = 2.449636565772971 (0.000185876% change) linmin: converged after 4 iterations. iteration 182: trace = 2.44963438518716 (8.90167e-05% change) large trace change predicted (0.000269165%) linmin: converged after 4 iterations. iteration 183: trace = 2.449627808941738 (0.000268459% change) linmin: converged after 5 iterations. iteration 184: trace = 2.449623518946007 (0.000175129% change) linmin: converged after 6 iterations. iteration 185: trace = 2.449619990401048 (0.000144044% change) large trace change predicted (0.000335612%) linmin: converged after 4 iterations. iteration 186: trace = 2.449611786240418 (0.000334916% change) linmin: converged after 4 iterations. iteration 187: trace = 2.449608182807687 (0.000147102% change) linmin: converged after 3 iterations. iteration 188: trace = 2.449605423969706 (0.000112624% change) large trace change predicted (0.000303692%) linmin: converged after 8 iterations. iteration 189: trace = 2.449597989999981 (0.000303477% change) linmin: converged after 4 iterations. iteration 190: trace = 2.449593731575493 (0.000173842% change) linmin: converged after 4 iterations. iteration 191: trace = 2.449588319829075 (0.000220924% change) large trace change predicted (0.000564295%) linmin: converged after 3 iterations. iteration 192: trace = 2.449574492403736 (0.000564481% change) linmin: converged after 7 iterations. iteration 193: trace = 2.44957168133793 (0.000114757% change) large trace change predicted (0.000469169%) linmin: converged after 3 iterations. iteration 194: trace = 2.44956017309008 (0.000469808% change) linmin: converged after 3 iterations. iteration 195: trace = 2.449553382156658 (0.000277231% change) linmin: converged after 3 iterations. iteration 196: trace = 2.449550713519895 (0.000108944% change) linmin: converged after 5 iterations. iteration 197: trace = 2.449545924429994 (0.000195509% change) linmin: converged after 3 iterations. iteration 198: trace = 2.449540218602736 (0.000232934% change) linmin: converged after 3 iterations. iteration 199: trace = 2.449538417206486 (7.35402e-05% change) large trace change predicted (0.000254779%) linmin: converged after 3 iterations. iteration 200: trace = 2.449532169436838 (0.000255059% change) linmin: converged after 5 iterations. iteration 201: trace = 2.449528067861914 (0.000167443% change) linmin: converged after 3 iterations. iteration 202: trace = 2.449524503640031 (0.000145507% change) large trace change predicted (0.000362752%) linmin: converged after 3 iterations. iteration 203: trace = 2.449515610964782 (0.000363037% change) linmin: converged after 3 iterations. iteration 204: trace = 2.449507041026361 (0.000349863% change) linmin: converged after 3 iterations. iteration 205: trace = 2.449500347649236 (0.000273254% change) linmin: converged after 3 iterations. iteration 206: trace = 2.44949265562893 (0.000314025% change) linmin: converged after 3 iterations. iteration 207: trace = 2.449486583240246 (0.000247904% change) linmin: converged after 6 iterations. iteration 208: trace = 2.449478073971598 (0.00034739% change) linmin: converged after 3 iterations. iteration 209: trace = 2.449461103627731 (0.000692817% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.449458112690228 (0.000122106% change) linmin: converged after 3 iterations. iteration 211: trace = 2.449453772688644 (0.000177182% change) linmin: converged after 4 iterations. iteration 212: trace = 2.449448028949936 (0.000234491% change) linmin: converged after 3 iterations. iteration 213: trace = 2.449446164243894 (7.61276e-05% change) large trace change predicted (0.000169819%) linmin: converged after 3 iterations. iteration 214: trace = 2.449442005059232 (0.000169801% change) linmin: converged after 4 iterations. iteration 215: trace = 2.44943687769927 (0.000209328% change) linmin: converged after 3 iterations. iteration 216: trace = 2.449435878329478 (4.08e-05% change) large trace change predicted (0.000117212%) linmin: converged after 3 iterations. iteration 217: trace = 2.449433007876016 (0.000117188% change) linmin: converged after 3 iterations. iteration 218: trace = 2.449431278028424 (7.06224e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.449430729737943 (2.23844e-05% change) large trace change predicted (7.94434e-05%) linmin: converged after 3 iterations. iteration 220: trace = 2.449428784156017 (7.943e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.449427093991445 (6.90024e-05% change) linmin: converged after 5 iterations. iteration 222: trace = 2.44942620850447 (3.61508e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.449424545631271 (6.78883e-05% change) linmin: converged after 4 iterations. iteration 224: trace = 2.449422508885449 (8.3152e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 2.449421379553375 (4.61061e-05% change) large trace change predicted (0.000127276%) linmin: converged after 3 iterations. iteration 226: trace = 2.449418262715337 (0.000127248% change) linmin: converged after 3 iterations. iteration 227: trace = 2.449416362177955 (7.75914e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.449415227517519 (4.63237e-05% change) large trace change predicted (0.000127924%) linmin: converged after 3 iterations. iteration 229: trace = 2.449412093136151 (0.000127965% change) linmin: converged after 3 iterations. iteration 230: trace = 2.449410383381101 (6.98027e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.449408557909533 (7.4527e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.449406557521023 (8.16683e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.449405121466212 (5.86287e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.449404283427615 (3.4214e-05% change) large trace change predicted (8.22352e-05%) linmin: converged after 3 iterations. iteration 235: trace = 2.449402267249879 (8.2313e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.449400604098859 (6.79003e-05% change) linmin: converged after 4 iterations. iteration 237: trace = 2.449399711006797 (3.64617e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.449398559350344 (4.70179e-05% change) linmin: converged after 3 iterations. iteration 239: trace = 2.449397676324221 (3.60507e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.449397140248872 (2.1886e-05% change) linmin: converged after 4 iterations. iteration 241: trace = 2.449396141907888 (4.07586e-05% change) linmin: converged after 4 iterations. iteration 242: trace = 2.449395682477338 (1.87569e-05% change) linmin: converged after 2 iterations. iteration 243: trace = 2.449394822468462 (3.51111e-05% change) linmin: converged after 5 iterations. iteration 244: trace = 2.449393696944044 (4.59511e-05% change) linmin: converged after 4 iterations. iteration 245: trace = 2.44939297320229 (2.95478e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.449391733958175 (5.05939e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.449389699471952 (8.30609e-05% change) linmin: converged after 3 iterations. iteration 248: trace = 2.449389283936811 (1.69648e-05% change) large trace change predicted (5.17013e-05%) linmin: converged after 5 iterations. iteration 249: trace = 2.449388017709373 (5.16957e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.449386829212846 (4.85222e-05% change) linmin: converged after 5 iterations. iteration 251: trace = 2.449386452552643 (1.53777e-05% change) large trace change predicted (8.24551e-05%) linmin: converged after 3 iterations. iteration 252: trace = 2.449384434064409 (8.24079e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.449383219451633 (4.95885e-05% change) linmin: converged after 5 iterations. iteration 254: trace = 2.449382685119716 (2.1815e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.449381793483696 (3.64025e-05% change) linmin: converged after 4 iterations. iteration 256: trace = 2.44938076716259 (4.19012e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.449380244097084 (2.1355e-05% change) large trace change predicted (4.27653e-05%) linmin: converged after 18 iterations. iteration 258: trace = 2.449379196604692 (4.27656e-05% change) linmin: converged after 5 iterations. iteration 259: trace = 2.449378424706657 (3.1514e-05% change) linmin: converged after 4 iterations. iteration 260: trace = 2.44937786277698 (2.29417e-05% change) linmin: converged after 8 iterations. iteration 261: trace = 2.449377057286336 (3.28855e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.449376176118371 (3.59752e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.449375556948499 (2.52787e-05% change) large trace change predicted (6.35408e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.449374001064563 (6.35217e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.44937332091431 (2.77683e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.449371976692729 (5.48802e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.449369845323015 (8.7017e-05% change) linmin: converged after 5 iterations. iteration 268: trace = 2.449369361660958 (1.97464e-05% change) large trace change predicted (5.89099e-05%) linmin: converged after 5 iterations. iteration 269: trace = 2.449367919423626 (5.8882e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.449366777428375 (4.66241e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.44936642983688 (1.41911e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.449365765809774 (2.71102e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.449364508576624 (5.13289e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.449364200448629 (1.25799e-05% change) large trace change predicted (5.33552e-05%) linmin: converged after 5 iterations. iteration 275: trace = 2.449362893431199 (5.33615e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.44936201234216 (3.59722e-05% change) linmin: converged after 4 iterations. iteration 277: trace = 2.449361775835222 (9.65586e-06% change) large trace change predicted (3.25564e-05%) linmin: converged after 4 iterations. iteration 278: trace = 2.449360978372377 (3.2558e-05% change) linmin: converged after 3 iterations. iteration 279: trace = 2.449360489669767 (1.99523e-05% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.44936035885647 (5.34071e-06% change) large trace change predicted (1.13115e-05%) linmin: converged after 4 iterations. iteration 281: trace = 2.449360081788123 (1.13119e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.449359715255381 (1.49644e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.44935946612994 (1.0171e-05% change) large trace change predicted (2.89618e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.44935875664032 (2.89663e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.44935780750131 (3.87505e-05% change) linmin: converged after 3 iterations. iteration 286: trace = 2.449357444958249 (1.48016e-05% change) large trace change predicted (3.94878e-05%) linmin: converged after 3 iterations. iteration 287: trace = 2.449356477601795 (3.94943e-05% change) linmin: converged after 5 iterations. iteration 288: trace = 2.449356173267169 (1.24251e-05% change) linmin: converged after 3 iterations. iteration 289: trace = 2.449355809229161 (1.48626e-05% change) large trace change predicted (3.10951e-05%) linmin: converged after 4 iterations. iteration 290: trace = 2.449355047525901 (3.10981e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.449354291692601 (3.08585e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.449353777418593 (2.09963e-05% change) large trace change predicted (4.27282e-05%) linmin: converged after 4 iterations. iteration 293: trace = 2.449352730675097 (4.27355e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.44935189967874 (3.39272e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.449351602363635 (1.21385e-05% change) large trace change predicted (3.70076e-05%) linmin: converged after 4 iterations. iteration 296: trace = 2.449350695758482 (3.70141e-05% change) linmin: converged after 2 iterations. iteration 297: trace = 2.449350445131554 (1.02324e-05% change) linmin: converged after 4 iterations. iteration 298: trace = 2.449349958064664 (1.98856e-05% change) linmin: converged after 4 iterations. iteration 299: trace = 2.449349570822366 (1.581e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.449349258376479 (1.27563e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.449348903416984 (1.4492e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.44934828034559 (2.54382e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.449348047013652 (9.52629e-06% change) large trace change predicted (2.67784e-05%) linmin: converged after 7 iterations. iteration 304: trace = 2.449347391096997 (2.67792e-05% change) linmin: converged after 5 iterations. iteration 305: trace = 2.449346772318718 (2.5263e-05% change) linmin: converged after 3 iterations. iteration 306: trace = 2.449346251653882 (2.12573e-05% change) linmin: converged after 4 iterations. iteration 307: trace = 2.449345928796927 (1.31814e-05% change) large trace change predicted (3.13854e-05%) linmin: converged after 4 iterations. iteration 308: trace = 2.449345159908831 (3.13916e-05% change) linmin: converged after 3 iterations. iteration 309: trace = 2.449344700007341 (1.87765e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.449344461723959 (9.72845e-06% change) large trace change predicted (2.59965e-05%) linmin: converged after 3 iterations. iteration 311: trace = 2.449343824905439 (2.59996e-05% change) linmin: converged after 13 iterations. iteration 312: trace = 2.449343407993338 (1.70214e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.449342805493095 (2.45984e-05% change) linmin: converged after 3 iterations. iteration 314: trace = 2.44934203354582 (3.15165e-05% change) linmin: converged after 3 iterations. iteration 315: trace = 2.449341678730135 (1.44862e-05% change) linmin: converged after 5 iterations. iteration 316: trace = 2.44934140149551 (1.13187e-05% change) large trace change predicted (2.43969e-05%) linmin: converged after 6 iterations. iteration 317: trace = 2.44934080397584 (2.43951e-05% change) linmin: converged after 3 iterations. iteration 318: trace = 2.449340702299089 (4.15119e-06% change) large trace change predicted (1.53921e-05%) linmin: converged after 6 iterations. iteration 319: trace = 2.449340325357353 (1.53895e-05% change) linmin: converged after 5 iterations. iteration 320: trace = 2.449339981074667 (1.40561e-05% change) linmin: converged after 8 iterations. iteration 321: trace = 2.449339788744149 (7.85234e-06% change) large trace change predicted (2.02789e-05%) linmin: converged after 4 iterations. iteration 322: trace = 2.449339292252254 (2.02704e-05% change) linmin: converged after 7 iterations. iteration 323: trace = 2.44933842160769 (3.55461e-05% change) linmin: converged after 16 iterations. iteration 324: trace = 2.449338186363222 (9.60441e-06% change) large trace change predicted (1.98379e-05%) linmin: converged after 3 iterations. iteration 325: trace = 2.449337700681085 (1.98291e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.449337031157789 (2.73349e-05% change) linmin: converged after 2 iterations. iteration 327: trace = 2.449336828199743 (8.28624e-06% change) large trace change predicted (2.8027e-05%) linmin: converged after 7 iterations. iteration 328: trace = 2.449336141930802 (2.80186e-05% change) linmin: converged after 4 iterations. iteration 329: trace = 2.449335000529667 (4.66004e-05% change) linmin: converged after 6 iterations. iteration 330: trace = 2.449334697911085 (1.23551e-05% change) large trace change predicted (4.78638e-05%) linmin: converged after 4 iterations. iteration 331: trace = 2.449333525369122 (4.78719e-05% change) linmin: converged after 4 iterations. iteration 332: trace = 2.449332696693291 (3.38327e-05% change) linmin: converged after 3 iterations. iteration 333: trace = 2.449332281081491 (1.69684e-05% change) large trace change predicted (3.54123e-05%) linmin: converged after 4 iterations. iteration 334: trace = 2.449331413512703 (3.54206e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.449330622941821 (3.2277e-05% change) linmin: converged after 3 iterations. iteration 336: trace = 2.449330428852425 (7.92418e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.449330054764462 (1.52731e-05% change) linmin: converged after 3 iterations. iteration 338: trace = 2.449329577707699 (1.9477e-05% change) linmin: converged after 12 iterations. iteration 339: trace = 2.449329458124164 (4.8823e-06% change) large trace change predicted (2.24194e-05%) linmin: converged after 3 iterations. iteration 340: trace = 2.449328908915495 (2.24228e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.449328374324598 (2.1826e-05% change) linmin: converged after 4 iterations. iteration 342: trace = 2.449328131852412 (9.89954e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.44932765071075 (1.96438e-05% change) large trace change predicted (4.09563e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.449326647324357 (4.09658e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.449326292401046 (1.44906e-05% change) large trace change predicted (4.28457e-05%) linmin: converged after 4 iterations. iteration 346: trace = 2.449325242652457 (4.28587e-05% change) linmin: converged after 4 iterations. iteration 347: trace = 2.449324565108769 (2.76625e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.449324247739938 (1.29574e-05% change) large trace change predicted (6.52592e-05%) linmin: converged after 3 iterations. iteration 349: trace = 2.449322648755448 (6.52827e-05% change) resetting CG direction... linmin: converged after 10 iterations. iteration 350: trace = 2.44932182330082 (3.37013e-05% change) linmin: converged after 5 iterations. iteration 351: trace = 2.449321538657195 (1.16213e-05% change) large trace change predicted (2.70756e-05%) linmin: converged after 10 iterations. iteration 352: trace = 2.44932087548005 (2.7076e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.449320415058727 (1.87979e-05% change) linmin: converged after 2 iterations. iteration 354: trace = 2.449320089926187 (1.32744e-05% change) large trace change predicted (3.06443e-05%) linmin: converged after 4 iterations. iteration 355: trace = 2.449319339410571 (3.06418e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.449319050758693 (1.1785e-05% change) linmin: converged after 4 iterations. iteration 357: trace = 2.449318841369459 (8.54888e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.449318525134029 (1.29112e-05% change) linmin: converged after 4 iterations. iteration 359: trace = 2.449318339437406 (7.58156e-06% change) linmin: converged after 5 iterations. iteration 360: trace = 2.449318141226692 (8.09249e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.44931787948778 (1.06862e-05% change) linmin: converged after 5 iterations. iteration 362: trace = 2.44931770640425 (7.0666e-06% change) linmin: converged after 5 iterations. iteration 363: trace = 2.449317560495567 (5.95712e-06% change) large trace change predicted (1.60532e-05%) linmin: converged after 5 iterations. iteration 364: trace = 2.44931716739285 (1.60495e-05% change) linmin: converged after 4 iterations. iteration 365: trace = 2.449316941746309 (9.21263e-06% change) linmin: converged after 3 iterations. iteration 366: trace = 2.449316538167191 (1.64772e-05% change) linmin: converged after 6 iterations. iteration 367: trace = 2.449316176695425 (1.47581e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.449315946222193 (9.4097e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.449315506213344 (1.79646e-05% change) linmin: converged after 10 iterations. iteration 370: trace = 2.449314980645124 (2.14578e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.449314813028352 (6.84341e-06% change) large trace change predicted (1.37181e-05%) linmin: converged after 3 iterations. iteration 372: trace = 2.449314477003282 (1.37191e-05% change) linmin: converged after 4 iterations. iteration 373: trace = 2.449314086267051 (1.59529e-05% change) linmin: converged after 3 iterations. iteration 374: trace = 2.449313882630461 (8.31403e-06% change) linmin: converged after 3 iterations. iteration 375: trace = 2.449313638819782 (9.95424e-06% change) linmin: converged after 4 iterations. iteration 376: trace = 2.449313274468424 (1.48757e-05% change) linmin: converged after 4 iterations. iteration 377: trace = 2.449313158039814 (4.75352e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.44931297582067 (7.4396e-06% change) linmin: converged after 5 iterations. iteration 379: trace = 2.44931280615865 (6.92692e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.449312681184396 (5.10242e-06% change) linmin: converged after 5 iterations. iteration 381: trace = 2.4493126069395 (3.03125e-06% change) large trace change predicted (6.83387e-06%) linmin: converged after 2 iterations. iteration 382: trace = 2.449312439554117 (6.83397e-06% change) linmin: converged after 5 iterations. iteration 383: trace = 2.449312362010223 (3.16595e-06% change) linmin: converged after 7 iterations. iteration 384: trace = 2.449312221693228 (5.72883e-06% change) large trace change predicted (1.2079e-05%) linmin: converged after 3 iterations. iteration 385: trace = 2.449311925884899 (1.20772e-05% change) linmin: converged after 3 iterations. iteration 386: trace = 2.449311787177985 (5.6631e-06% change) large trace change predicted (1.32399e-05%) linmin: converged after 5 iterations. iteration 387: trace = 2.449311462937392 (1.3238e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.449311287172683 (7.17609e-06% change) linmin: converged after 8 iterations. iteration 389: trace = 2.449311185924481 (4.13374e-06% change) large trace change predicted (9.60227e-06%) linmin: converged after 5 iterations. iteration 390: trace = 2.449310950783617 (9.60029e-06% change) linmin: converged after 5 iterations. iteration 391: trace = 2.449310640862508 (1.26534e-05% change) linmin: converged after 7 iterations. iteration 392: trace = 2.449310564375911 (3.12278e-06% change) large trace change predicted (1.03205e-05%) linmin: converged after 3 iterations. iteration 393: trace = 2.449310311632106 (1.0319e-05% change) linmin: converged after 3 iterations. iteration 394: trace = 2.449310112374825 (8.13524e-06% change) linmin: converged after 3 iterations. iteration 395: trace = 2.449310036078187 (3.11503e-06% change) large trace change predicted (8.76138e-06%) linmin: converged after 4 iterations. iteration 396: trace = 2.449309821484943 (8.76138e-06% change) linmin: converged after 5 iterations. iteration 397: trace = 2.449309636933419 (7.53484e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.449309582587313 (2.21883e-06% change) large trace change predicted (7.83039e-06%) linmin: converged after 5 iterations. iteration 399: trace = 2.449309390799596 (7.83028e-06% change) linmin: converged after 5 iterations. iteration 400: trace = 2.449309275333445 (4.71423e-06% change) linmin: converged after 23 iterations. iteration 401: trace = 2.449309223830472 (2.10276e-06% change) large trace change predicted (8.60694e-06%) linmin: converged after 6 iterations. iteration 402: trace = 2.449309013034717 (8.60634e-06% change) linmin: converged after 5 iterations. iteration 403: trace = 2.449308868186215 (5.91385e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.449308722834678 (5.93439e-06% change) linmin: converged after 9 iterations. iteration 405: trace = 2.449308522941983 (8.16119e-06% change) linmin: converged after 4 iterations. iteration 406: trace = 2.449308287529242 (9.6114e-06% change) linmin: converged after 11 iterations. iteration 407: trace = 2.449308225446371 (2.53471e-06% change) large trace change predicted (9.59192e-06%) linmin: converged after 5 iterations. iteration 408: trace = 2.449307990533196 (9.591e-06% change) linmin: converged after 2 iterations. iteration 409: trace = 2.44930786039872 (5.31311e-06% change) linmin: converged after 5 iterations. iteration 410: trace = 2.449307776754267 (3.41502e-06% change) linmin: converged after 4 iterations. iteration 411: trace = 2.44930766019738 (4.75877e-06% change) linmin: converged after 4 iterations. iteration 412: trace = 2.449307480245329 (7.34706e-06% change) linmin: converged after 7 iterations. iteration 413: trace = 2.44930741895273 (2.50245e-06% change) large trace change predicted (7.13145e-06%) linmin: converged after 5 iterations. iteration 414: trace = 2.449307244315649 (7.13006e-06% change) linmin: converged after 3 iterations. iteration 415: trace = 2.449307130174472 (4.66014e-06% change) linmin: converged after 3 iterations. iteration 416: trace = 2.449307041358999 (3.62615e-06% change) linmin: converged after 6 iterations. iteration 417: trace = 2.449306907042652 (5.48385e-06% change) linmin: converged after 7 iterations. iteration 418: trace = 2.449306846411126 (2.47546e-06% change) linmin: converged after 4 iterations. iteration 419: trace = 2.449306816804892 (1.20876e-06% change) resetting CG direction... linmin: converged after 15 iterations. iteration 420: trace = 2.449306792418263 (9.95654e-07% change) linmin: converged after 5 iterations. iteration 421: trace = 2.449306755408211 (1.51104e-06% change) large trace change predicted (3.63985e-06%) linmin: converged after 6 iterations. iteration 422: trace = 2.449306666252821 (3.64003e-06% change) linmin: converged after 4 iterations. iteration 423: trace = 2.449306602136914 (2.61772e-06% change) linmin: converged after 3 iterations. iteration 424: trace = 2.449306519641126 (3.36813e-06% change) large trace change predicted (8.18725e-06%) linmin: converged after 4 iterations. iteration 425: trace = 2.44930631908724 (8.18819e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.449306271600339 (1.93879e-06% change) large trace change predicted (5.88032e-06%) linmin: converged after 5 iterations. iteration 427: trace = 2.449306127565736 (5.88063e-06% change) linmin: converged after 3 iterations. iteration 428: trace = 2.449306027614528 (4.0808e-06% change) linmin: converged after 5 iterations. iteration 429: trace = 2.449305994655025 (1.34567e-06% change) large trace change predicted (6.4049e-06%) linmin: converged after 4 iterations. iteration 430: trace = 2.449305837770847 (6.40525e-06% change) linmin: converged after 2 iterations. iteration 431: trace = 2.449305705704582 (5.39199e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.449305638951834 (2.72537e-06% change) large trace change predicted (6.01762e-06%) linmin: converged after 3 iterations. iteration 433: trace = 2.449305491556085 (6.01786e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.449305313775604 (7.2584e-06% change) linmin: converged after 3 iterations. iteration 435: trace = 2.449305256364343 (2.34398e-06% change) large trace change predicted (7.67122e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.449305068459433 (7.67176e-06% change) linmin: converged after 2 iterations. iteration 437: trace = 2.449304958419962 (4.49268e-06% change) linmin: converged after 3 iterations. iteration 438: trace = 2.449304917886444 (1.6549e-06% change) large trace change predicted (3.31934e-06%) linmin: converged after 4 iterations. iteration 439: trace = 2.449304836582585 (3.31947e-06% change) linmin: converged after 4 iterations. iteration 440: trace = 2.449304711689658 (5.09912e-06% change) linmin: converged after 2 iterations. iteration 441: trace = 2.449304680326612 (1.28049e-06% change) large trace change predicted (4.22057e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.449304576941234 (4.22101e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.449304431279818 (5.94705e-06% change) linmin: converged after 8 iterations. iteration 444: trace = 2.449304383313033 (1.95838e-06% change) large trace change predicted (5.30008e-06%) linmin: converged after 3 iterations. iteration 445: trace = 2.449304253483403 (5.30067e-06% change) linmin: converged after 4 iterations. iteration 446: trace = 2.449304095098798 (6.46651e-06% change) linmin: converged after 8 iterations. iteration 447: trace = 2.449304053698725 (1.69028e-06% change) large trace change predicted (5.97949e-06%) linmin: converged after 5 iterations. iteration 448: trace = 2.449303907232898 (5.9799e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.449303797535602 (4.47871e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.44930373621516 (2.50359e-06% change) linmin: converged after 4 iterations. iteration 451: trace = 2.449303618741786 (4.79619e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.449303439229621 (7.32911e-06% change) linmin: converged after 5 iterations. iteration 453: trace = 2.449303394965906 (1.8072e-06% change) large trace change predicted (6.12269e-06%) linmin: converged after 6 iterations. iteration 454: trace = 2.449303244997532 (6.1229e-06% change) linmin: converged after 18 iterations. iteration 455: trace = 2.449303125429011 (4.88174e-06% change) linmin: converged after 9 iterations. iteration 456: trace = 2.449303093838604 (1.28977e-06% change) large trace change predicted (4.80821e-06%) linmin: converged after 4 iterations. iteration 457: trace = 2.449302976074831 (4.80805e-06% change) linmin: converged after 4 iterations. iteration 458: trace = 2.449302933680515 (1.73087e-06% change) linmin: converged after 7 iterations. iteration 459: trace = 2.449302901682854 (1.3064e-06% change) large trace change predicted (3.03674e-06%) linmin: converged after 3 iterations. iteration 460: trace = 2.449302827309876 (3.0365e-06% change) linmin: converged after 6 iterations. iteration 461: trace = 2.449302741682878 (3.49597e-06% change) linmin: converged after 8 iterations. iteration 462: trace = 2.449302678294404 (2.58802e-06% change) large trace change predicted (7.1125e-06%) linmin: converged after 4 iterations. iteration 463: trace = 2.449302504151457 (7.1099e-06% change) linmin: converged after 4 iterations. iteration 464: trace = 2.449302431382238 (2.97102e-06% change) linmin: converged after 3 iterations. iteration 465: trace = 2.449302322795264 (4.43338e-06% change) linmin: converged after 5 iterations. iteration 466: trace = 2.449302163235641 (6.51449e-06% change) linmin: converged after 4 iterations. iteration 467: trace = 2.449302008603472 (6.31332e-06% change) linmin: converged after 5 iterations. iteration 468: trace = 2.449301954760395 (2.1983e-06% change) large trace change predicted (8.48473e-06%) linmin: converged after 4 iterations. iteration 469: trace = 2.449301746929865 (8.4853e-06% change) linmin: converged after 3 iterations. iteration 470: trace = 2.44930158499688 (6.61139e-06% change) linmin: converged after 2 iterations. iteration 471: trace = 2.449301519537809 (2.67256e-06% change) large trace change predicted (9.02635e-06%) linmin: converged after 4 iterations. iteration 472: trace = 2.44930129839495 (9.02881e-06% change) linmin: converged after 3 iterations. iteration 473: trace = 2.449301095773646 (8.27262e-06% change) linmin: converged after 6 iterations. iteration 474: trace = 2.449301056541607 (1.60176e-06% change) large trace change predicted (5.27166e-06%) linmin: converged after 3 iterations. iteration 475: trace = 2.44930092741027 (5.27217e-06% change) linmin: converged after 4 iterations. iteration 476: trace = 2.449300845753241 (3.33389e-06% change) linmin: converged after 5 iterations. iteration 477: trace = 2.449300815360409 (1.24088e-06% change) large trace change predicted (4.15168e-06%) linmin: converged after 3 iterations. iteration 478: trace = 2.449300713665282 (4.15201e-06% change) linmin: converged after 5 iterations. iteration 479: trace = 2.44930065569095 (2.36697e-06% change) linmin: converged after 9 iterations. iteration 480: trace = 2.449300597626611 (2.37065e-06% change) linmin: converged after 4 iterations. iteration 481: trace = 2.449300520992366 (3.12882e-06% change) linmin: converged after 2 iterations. iteration 482: trace = 2.449300397210258 (5.05377e-06% change) linmin: converged after 4 iterations. iteration 483: trace = 2.449300361225267 (1.46919e-06% change) large trace change predicted (7.04655e-06%) linmin: converged after 4 iterations. iteration 484: trace = 2.449300188636986 (7.04643e-06% change) linmin: converged after 6 iterations. iteration 485: trace = 2.449300078732668 (4.48717e-06% change) linmin: converged after 3 iterations. iteration 486: trace = 2.449300012246638 (2.71449e-06% change) large trace change predicted (8.02864e-06%) linmin: converged after 5 iterations. iteration 487: trace = 2.44929981560621 (8.02843e-06% change) linmin: converged after 4 iterations. iteration 488: trace = 2.449299699773492 (4.72922e-06% change) linmin: converged after 3 iterations. iteration 489: trace = 2.449299554635778 (5.92568e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 490: trace = 2.449299429470633 (5.11024e-06% change) linmin: converged after 6 iterations. iteration 491: trace = 2.44929934287215 (3.53564e-06% change) linmin: converged after 2 iterations. iteration 492: trace = 2.449299184030745 (6.48518e-06% change) linmin: converged after 2 iterations. iteration 493: trace = 2.4492991172159 (2.72792e-06% change) linmin: converged after 3 iterations. iteration 494: trace = 2.449299029092498 (3.5979e-06% change) linmin: converged after 6 iterations. iteration 495: trace = 2.449298878690034 (6.14063e-06% change) linmin: converged after 9 iterations. iteration 496: trace = 2.449298852434448 (1.07196e-06% change) large trace change predicted (3.65764e-06%) linmin: converged after 5 iterations. iteration 497: trace = 2.449298762853906 (3.6574e-06% change) linmin: converged after 3 iterations. iteration 498: trace = 2.449298701121422 (2.52041e-06% change) linmin: converged after 8 iterations. iteration 499: trace = 2.449298684309333 (6.86404e-07% change) large trace change predicted (2.9529e-06%) linmin: converged after 3 iterations. iteration 500: trace = 2.449298611988475 (2.95272e-06% change) linmin: converged after 4 iterations. iteration 501: trace = 2.449298544671136 (2.74843e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.449298524508349 (8.23207e-07% change) large trace change predicted (2.02023e-06%) linmin: converged after 3 iterations. iteration 503: trace = 2.449298475026414 (2.02025e-06% change) linmin: converged after 6 iterations. iteration 504: trace = 2.449298389023014 (3.51135e-06% change) linmin: converged after 7 iterations. iteration 505: trace = 2.449298367868543 (8.63695e-07% change) large trace change predicted (5.21918e-06%) linmin: converged after 11 iterations. iteration 506: trace = 2.449298240054867 (5.21838e-06% change) linmin: converged after 3 iterations. iteration 507: trace = 2.449298135550526 (4.26671e-06% change) linmin: converged after 4 iterations. iteration 508: trace = 2.449298096211906 (1.60612e-06% change) large trace change predicted (3.74886e-06%) linmin: converged after 5 iterations. iteration 509: trace = 2.449298004395614 (3.74868e-06% change) linmin: converged after 3 iterations. iteration 510: trace = 2.449297894952925 (4.46833e-06% change) linmin: converged after 5 iterations. iteration 511: trace = 2.449297866227305 (1.17281e-06% change) large trace change predicted (3.52397e-06%) linmin: converged after 5 iterations. iteration 512: trace = 2.449297779911246 (3.52411e-06% change) linmin: converged after 4 iterations. iteration 513: trace = 2.449297717736781 (2.53846e-06% change) linmin: converged after 2 iterations. iteration 514: trace = 2.44929767422181 (1.77663e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.449297595829442 (3.20061e-06% change) linmin: converged after 5 iterations. iteration 516: trace = 2.449297535145935 (2.47759e-06% change) linmin: converged after 16 iterations. iteration 517: trace = 2.449297502630137 (1.32756e-06% change) linmin: converged after 5 iterations. iteration 518: trace = 2.449297448020834 (2.22959e-06% change) linmin: converged after 4 iterations. iteration 519: trace = 2.449297416470452 (1.28814e-06% change) linmin: converged after 10 iterations. iteration 520: trace = 2.449297391050599 (1.03784e-06% change) linmin: converged after 6 iterations. iteration 521: trace = 2.449297372997664 (7.37066e-07% change) large trace change predicted (1.84029e-06%) linmin: converged after 21 iterations. iteration 522: trace = 2.449297327923096 (1.84031e-06% change) linmin: converged after 3 iterations. iteration 523: trace = 2.449297313603914 (5.84624e-07% change) large trace change predicted (1.99333e-06%) linmin: converged after 6 iterations. iteration 524: trace = 2.44929726478399 (1.99322e-06% change) linmin: converged after 4 iterations. iteration 525: trace = 2.449297211835038 (2.1618e-06% change) linmin: converged after 5 iterations. iteration 526: trace = 2.449297190260008 (8.80866e-07% change) large trace change predicted (3.57537e-06%) linmin: converged after 4 iterations. iteration 527: trace = 2.449297102693991 (3.57515e-06% change) linmin: converged after 3 iterations. iteration 528: trace = 2.449297053396339 (2.01273e-06% change) linmin: converged after 11 iterations. iteration 529: trace = 2.449297032619429 (8.48281e-07% change) linmin: converged after 4 iterations. iteration 530: trace = 2.449296992673108 (1.63093e-06% change) linmin: converged after 4 iterations. iteration 531: trace = 2.44929693720552 (2.26463e-06% change) linmin: converged after 4 iterations. iteration 532: trace = 2.449296918078637 (7.80913e-07% change) large trace change predicted (2.63007e-06%) linmin: converged after 8 iterations. iteration 533: trace = 2.449296853660734 (2.63006e-06% change) linmin: converged after 11 iterations. iteration 534: trace = 2.449296804496899 (2.00726e-06% change) linmin: converged after 4 iterations. iteration 535: trace = 2.449296787316758 (7.01432e-07% change) large trace change predicted (2.03404e-06%) linmin: converged after 3 iterations. iteration 536: trace = 2.449296737499339 (2.03395e-06% change) linmin: converged after 4 iterations. iteration 537: trace = 2.449296699204011 (1.56352e-06% change) linmin: converged after 24 iterations. iteration 538: trace = 2.449296688959647 (4.18257e-07% change) large trace change predicted (1.80255e-06%) linmin: converged after 7 iterations. iteration 539: trace = 2.449296644811075 (1.8025e-06% change) linmin: converged after 4 iterations. iteration 540: trace = 2.449296623989745 (8.50094e-07% change) linmin: converged after 5 iterations. iteration 541: trace = 2.449296607558735 (6.70846e-07% change) large trace change predicted (1.65871e-06%) linmin: converged after 9 iterations. iteration 542: trace = 2.449296566932979 (1.65867e-06% change) linmin: converged after 12 iterations. iteration 543: trace = 2.449296533664887 (1.35827e-06% change) linmin: converged after 7 iterations. iteration 544: trace = 2.449296499850904 (1.38056e-06% change) linmin: converged after 8 iterations. iteration 545: trace = 2.449296446432119 (2.18098e-06% change) linmin: converged after 4 iterations. iteration 546: trace = 2.449296409222726 (1.51919e-06% change) linmin: converged after 8 iterations. iteration 547: trace = 2.449296389246551 (8.15588e-07% change) large trace change predicted (1.98142e-06%) linmin: converged after 4 iterations. iteration 548: trace = 2.449296340716756 (1.98138e-06% change) linmin: converged after 5 iterations. iteration 549: trace = 2.44929629881578 (1.71074e-06% change) linmin: converged after 16 iterations. iteration 550: trace = 2.449296286326081 (5.0993e-07% change) large trace change predicted (1.11906e-06%) linmin: converged after 4 iterations. iteration 551: trace = 2.449296258917512 (1.11904e-06% change) linmin: converged after 4 iterations. iteration 552: trace = 2.449296221615067 (1.52299e-06% change) linmin: converged after 2 iterations. iteration 553: trace = 2.449296208133059 (5.50444e-07% change) large trace change predicted (1.9645e-06%) linmin: converged after 7 iterations. iteration 554: trace = 2.449296160018755 (1.96441e-06% change) linmin: converged after 4 iterations. iteration 555: trace = 2.449296140838978 (7.83073e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.449296123085604 (7.24836e-07% change) linmin: converged after 3 iterations. iteration 557: trace = 2.449296099647464 (9.56934e-07% change) linmin: converged after 7 iterations. iteration 558: trace = 2.449296088925706 (4.37749e-07% change) linmin: converged after 9 iterations. iteration 559: trace = 2.449296082398317 (2.66501e-07% change) resetting CG direction... linmin: converged after 10 iterations. iteration 560: trace = 2.449296076458252 (2.42521e-07% change) linmin: converged after 4 iterations. iteration 561: trace = 2.449296068067724 (3.42569e-07% change) large trace change predicted (8.2067e-07%) linmin: converged after 3 iterations. iteration 562: trace = 2.449296047966818 (8.20681e-07% change) linmin: converged after 2 iterations. iteration 563: trace = 2.449296033437271 (5.93213e-07% change) linmin: converged after 9 iterations. iteration 564: trace = 2.449296015820339 (7.19265e-07% change) large trace change predicted (1.91135e-06%) linmin: converged after 14 iterations. iteration 565: trace = 2.449295969003428 (1.91144e-06% change) linmin: converged after 4 iterations. iteration 566: trace = 2.449295956077304 (5.27749e-07% change) large trace change predicted (1.34565e-06%) linmin: converged after 2 iterations. iteration 567: trace = 2.449295923118196 (1.34566e-06% change) linmin: converged after 13 iterations. iteration 568: trace = 2.449295899340693 (9.70789e-07% change) linmin: converged after 13 iterations. iteration 569: trace = 2.449295890442377 (3.63301e-07% change) large trace change predicted (1.39342e-06%) linmin: converged after 3 iterations. iteration 570: trace = 2.449295856312726 (1.39345e-06% change) linmin: converged after 16 iterations. iteration 571: trace = 2.449295823140564 (1.35436e-06% change) linmin: converged after 10 iterations. iteration 572: trace = 2.449295807003971 (6.58826e-07% change) large trace change predicted (1.44814e-06%) linmin: converged after 5 iterations. iteration 573: trace = 2.449295771533152 (1.4482e-06% change) linmin: converged after 5 iterations. iteration 574: trace = 2.449295727555186 (1.79554e-06% change) linmin: converged after 9 iterations. iteration 575: trace = 2.449295712153016 (6.28841e-07% change) large trace change predicted (1.3139e-06%) linmin: converged after 7 iterations. iteration 576: trace = 2.449295679970796 (1.31394e-06% change) linmin: converged after 5 iterations. iteration 577: trace = 2.449295651212337 (1.17415e-06% change) linmin: converged after 2 iterations. iteration 578: trace = 2.449295642594985 (3.5183e-07% change) large trace change predicted (8.4235e-07%) linmin: converged after 5 iterations. iteration 579: trace = 2.449295621962583 (8.42381e-07% change) linmin: converged after 21 iterations. iteration 580: trace = 2.449295594146689 (1.13567e-06% change) linmin: converged after 4 iterations. iteration 581: trace = 2.449295587613738 (2.66728e-07% change) large trace change predicted (1.08307e-06%) linmin: converged after 10 iterations. iteration 582: trace = 2.449295561084804 (1.08313e-06% change) linmin: converged after 3 iterations. iteration 583: trace = 2.449295530508905 (1.24835e-06% change) linmin: converged after 4 iterations. iteration 584: trace = 2.449295520181253 (4.21658e-07% change) large trace change predicted (1.42209e-06%) linmin: converged after 9 iterations. iteration 585: trace = 2.449295485348387 (1.42216e-06% change) linmin: converged after 5 iterations. iteration 586: trace = 2.449295446972909 (1.5668e-06% change) linmin: converged after 4 iterations. iteration 587: trace = 2.449295437633795 (3.81298e-07% change) large trace change predicted (1.45631e-06%) linmin: converged after 8 iterations. iteration 588: trace = 2.449295401963015 (1.45637e-06% change) linmin: converged after 10 iterations. iteration 589: trace = 2.449295376839459 (1.02575e-06% change) linmin: converged after 3 iterations. iteration 590: trace = 2.449295361870868 (6.11139e-07% change) linmin: converged after 2 iterations. iteration 591: trace = 2.449295337047406 (1.01349e-06% change) linmin: converged after 4 iterations. iteration 592: trace = 2.449295293299488 (1.78614e-06% change) linmin: converged after 4 iterations. iteration 593: trace = 2.449295282239425 (4.51561e-07% change) large trace change predicted (1.28824e-06%) linmin: converged after 4 iterations. iteration 594: trace = 2.449295250685992 (1.28827e-06% change) linmin: converged after 5 iterations. iteration 595: trace = 2.449295221824196 (1.17837e-06% change) linmin: converged after 2 iterations. iteration 596: trace = 2.44929521386984 (3.24761e-07% change) large trace change predicted (1.03584e-06%) linmin: converged after 4 iterations. iteration 597: trace = 2.449295188499494 (1.03582e-06% change) linmin: converged after 6 iterations. iteration 598: trace = 2.449295177111954 (4.64931e-07% change) linmin: converged after 3 iterations. iteration 599: trace = 2.449295168897962 (3.35361e-07% change) linmin: converged after 4 iterations. iteration 600: trace = 2.449295153614405 (6.23998e-07% change) linmin: converged after 4 iterations. iteration 601: trace = 2.449295131232283 (9.13819e-07% change) linmin: converged after 18 iterations. iteration 602: trace = 2.449295121822322 (3.84191e-07% change) large trace change predicted (1.77567e-06%) linmin: converged after 13 iterations. iteration 603: trace = 2.449295078339307 (1.77533e-06% change) linmin: converged after 4 iterations. iteration 604: trace = 2.449295043926324 (1.40502e-06% change) linmin: converged after 4 iterations. iteration 605: trace = 2.44929503094616 (5.29955e-07% change) large trace change predicted (1.5279e-06%) linmin: converged after 9 iterations. iteration 606: trace = 2.449294993525982 (1.52779e-06% change) linmin: converged after 19 iterations. iteration 607: trace = 2.449294956707033 (1.50325e-06% change) linmin: converged after 2 iterations. iteration 608: trace = 2.449294939272067 (7.11836e-07% change) large trace change predicted (1.60246e-06%) linmin: converged after 3 iterations. iteration 609: trace = 2.449294900021942 (1.60251e-06% change) linmin: converged after 6 iterations. iteration 610: trace = 2.449294857711322 (1.72746e-06% change) linmin: converged after 14 iterations. iteration 611: trace = 2.449294830745647 (1.10096e-06% change) linmin: converged after 4 iterations. iteration 612: trace = 2.44929480176176 (1.18336e-06% change) linmin: converged after 4 iterations. iteration 613: trace = 2.449294753618048 (1.96562e-06% change) linmin: converged after 4 iterations. iteration 614: trace = 2.449294744950016 (3.53899e-07% change) large trace change predicted (1.28832e-06%) linmin: converged after 6 iterations. iteration 615: trace = 2.449294713392934 (1.28842e-06% change) linmin: converged after 4 iterations. iteration 616: trace = 2.449294693129423 (8.2732e-07% change) linmin: converged after 8 iterations. iteration 617: trace = 2.449294677932421 (6.20464e-07% change) linmin: converged after 8 iterations. iteration 618: trace = 2.449294664915564 (5.31453e-07% change) linmin: converged after 9 iterations. iteration 619: trace = 2.449294640543842 (9.95051e-07% change) linmin: converged after 13 iterations. iteration 620: trace = 2.449294633871995 (2.72399e-07% change) large trace change predicted (6.53942e-07%) linmin: converged after 5 iterations. iteration 621: trace = 2.449294617854707 (6.53955e-07% change) linmin: converged after 11 iterations. iteration 622: trace = 2.44929458844143 (1.20089e-06% change) linmin: converged after 13 iterations. iteration 623: trace = 2.449294565662547 (9.30018e-07% change) linmin: converged after 4 iterations. iteration 624: trace = 2.449294538123795 (1.12435e-06% change) linmin: converged after 3 iterations. iteration 625: trace = 2.449294506644298 (1.28525e-06% change) linmin: converged after 7 iterations. iteration 626: trace = 2.449294488678851 (7.33495e-07% change) linmin: converged after 4 iterations. iteration 627: trace = 2.449294456059742 (1.33178e-06% change) linmin: converged after 5 iterations. iteration 628: trace = 2.44929441222657 (1.78962e-06% change) linmin: converged after 5 iterations. iteration 629: trace = 2.44929437856458 (1.37435e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.449294348225139 (1.2387e-06% change) linmin: converged after 6 iterations. iteration 631: trace = 2.449294311729159 (1.49006e-06% change) linmin: converged after 5 iterations. iteration 632: trace = 2.449294283566208 (1.14984e-06% change) linmin: converged after 12 iterations. iteration 633: trace = 2.44929426721953 (6.67404e-07% change) linmin: converged after 3 iterations. iteration 634: trace = 2.449294240152789 (1.10508e-06% change) linmin: converged after 2 iterations. iteration 635: trace = 2.449294216841413 (9.51759e-07% change) linmin: converged after 7 iterations. iteration 636: trace = 2.449294200573756 (6.64177e-07% change) linmin: converged after 3 iterations. iteration 637: trace = 2.44929417672032 (9.7389e-07% change) linmin: converged after 4 iterations. iteration 638: trace = 2.449294169224955 (3.06021e-07% change) linmin: converged after 5 iterations. iteration 639: trace = 2.449294160732715 (3.46722e-07% change) large trace change predicted (7.45905e-07%) linmin: converged after 5 iterations. iteration 640: trace = 2.449294142463735 (7.45888e-07% change) linmin: converged after 2 iterations. iteration 641: trace = 2.449294137792205 (1.9073e-07% change) large trace change predicted (5.92936e-07%) linmin: converged after 5 iterations. iteration 642: trace = 2.449294123269853 (5.9292e-07% change) linmin: converged after 3 iterations. iteration 643: trace = 2.449294110542836 (5.1962e-07% change) linmin: converged after 9 iterations. iteration 644: trace = 2.449294102403012 (3.32333e-07% change) large trace change predicted (6.66144e-07%) linmin: converged after 4 iterations. iteration 645: trace = 2.449294086087627 (6.66126e-07% change) linmin: converged after 9 iterations. iteration 646: trace = 2.449294054702321 (1.2814e-06% change) linmin: converged after 7 iterations. iteration 647: trace = 2.449294040562214 (5.77314e-07% change) linmin: converged after 4 iterations. iteration 648: trace = 2.449294022097127 (7.53894e-07% change) linmin: converged after 8 iterations. iteration 649: trace = 2.449293998998872 (9.43058e-07% change) linmin: converged after 9 iterations. iteration 650: trace = 2.449293981243777 (7.24907e-07% change) linmin: converged after 12 iterations. iteration 651: trace = 2.449293968078251 (5.37523e-07% change) linmin: converged after 16 iterations. iteration 652: trace = 2.449293948649922 (7.93222e-07% change) linmin: converged after 5 iterations. iteration 653: trace = 2.449293939222242 (3.84914e-07% change) linmin: converged after 3 iterations. iteration 654: trace = 2.44929392374868 (6.31756e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.449293905575563 (7.41974e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.449293900160324 (2.21094e-07% change) large trace change predicted (6.95558e-07%) linmin: converged after 4 iterations. iteration 657: trace = 2.449293883122324 (6.95629e-07% change) linmin: converged after 8 iterations. iteration 658: trace = 2.449293870445803 (5.17558e-07% change) linmin: converged after 18 iterations. iteration 659: trace = 2.449293863998098 (2.63248e-07% change) linmin: converged after 15 iterations. iteration 660: trace = 2.449293861031792 (1.21109e-07% change) large trace change predicted (3.32179e-07%) linmin: converged after 3 iterations. iteration 661: trace = 2.449293852895654 (3.32183e-07% change) linmin: converged after 13 iterations. iteration 662: trace = 2.449293842369846 (4.29749e-07% change) linmin: converged after 4 iterations. iteration 663: trace = 2.449293839232275 (1.28101e-07% change) large trace change predicted (4.21875e-07%) linmin: converged after 4 iterations. iteration 664: trace = 2.449293828899499 (4.21868e-07% change) linmin: converged after 4 iterations. iteration 665: trace = 2.449293815336883 (5.53736e-07% change) linmin: converged after 4 iterations. iteration 666: trace = 2.449293810047407 (2.15959e-07% change) large trace change predicted (8.1053e-07%) linmin: converged after 8 iterations. iteration 667: trace = 2.449293790195751 (8.10505e-07% change) linmin: converged after 4 iterations. iteration 668: trace = 2.449293782273859 (3.23436e-07% change) linmin: converged after 11 iterations. iteration 669: trace = 2.449293775394512 (2.80871e-07% change) linmin: converged after 5 iterations. iteration 670: trace = 2.449293764945047 (4.26632e-07% change) linmin: converged after 5 iterations. iteration 671: trace = 2.449293756504798 (3.44599e-07% change) linmin: converged after 4 iterations. iteration 672: trace = 2.44929374722218 (3.78992e-07% change) linmin: converged after 15 iterations. iteration 673: trace = 2.449293731960705 (6.23097e-07% change) linmin: converged after 13 iterations. iteration 674: trace = 2.449293725417255 (2.67157e-07% change) linmin: converged after 4 iterations. iteration 675: trace = 2.44929371615482 (3.78168e-07% change) linmin: converged after 5 iterations. iteration 676: trace = 2.449293704609577 (4.7137e-07% change) linmin: converged after 4 iterations. iteration 677: trace = 2.449293696774195 (3.19904e-07% change) linmin: converged after 2 iterations. iteration 678: trace = 2.449293693571425 (1.30763e-07% change) large trace change predicted (4.15708e-07%) linmin: converged after 16 iterations. iteration 679: trace = 2.449293683389681 (4.15701e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.449293679386666 (1.63435e-07% change) linmin: converged after 23 iterations. iteration 681: trace = 2.449293674621555 (1.9455e-07% change) linmin: converged after 7 iterations. iteration 682: trace = 2.449293665308911 (3.80218e-07% change) linmin: converged after 5 iterations. iteration 683: trace = 2.449293659723073 (2.28059e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.449293649596636 (4.13443e-07% change) linmin: converged after 5 iterations. iteration 685: trace = 2.449293637100528 (5.10192e-07% change) linmin: converged after 5 iterations. iteration 686: trace = 2.449293630006 (2.89656e-07% change) linmin: converged after 3 iterations. iteration 687: trace = 2.449293623719263 (2.56676e-07% change) linmin: converged after 3 iterations. iteration 688: trace = 2.449293612301654 (4.66159e-07% change) linmin: converged after 4 iterations. iteration 689: trace = 2.449293603402506 (3.63335e-07% change) linmin: converged after 4 iterations. iteration 690: trace = 2.449293600123875 (1.3386e-07% change) linmin: converged after 7 iterations. iteration 691: trace = 2.449293593941523 (2.52414e-07% change) linmin: converged after 4 iterations. iteration 692: trace = 2.449293584845991 (3.71353e-07% change) linmin: converged after 3 iterations. iteration 693: trace = 2.449293581503368 (1.36473e-07% change) large trace change predicted (4.86326e-07%) linmin: converged after 5 iterations. iteration 694: trace = 2.449293569592126 (4.86313e-07% change) linmin: converged after 6 iterations. iteration 695: trace = 2.44929356405537 (2.26055e-07% change) linmin: converged after 4 iterations. iteration 696: trace = 2.44929356123884 (1.14994e-07% change) linmin: converged after 4 iterations. iteration 697: trace = 2.449293555906936 (2.17691e-07% change) linmin: converged after 6 iterations. iteration 698: trace = 2.449293553202247 (1.10427e-07% change) linmin: converged after 23 iterations. iteration 699: trace = 2.449293552072011 (4.61454e-08% change) resetting CG direction... linmin: converged after 18 iterations. iteration 700: trace = 2.449293550991635 (4.41097e-08% change) large trace change predicted (9.53215e-08%) linmin: converged after 17 iterations. iteration 701: trace = 2.449293548656932 (9.53215e-08% change) linmin: converged after 10 iterations. iteration 702: trace = 2.449293544302831 (1.7777e-07% change) linmin: converged after 14 iterations. iteration 703: trace = 2.449293542252224 (8.37224e-08% change) large trace change predicted (2.38125e-07%) linmin: converged after 15 iterations. iteration 704: trace = 2.449293536419747 (2.38129e-07% change) linmin: converged after 5 iterations. iteration 705: trace = 2.449293525471346 (4.47002e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.449293523232405 (9.14117e-08% change) large trace change predicted (3.81117e-07%) linmin: converged after 4 iterations. iteration 707: trace = 2.449293513897719 (3.81117e-07% change) linmin: converged after 2 iterations. iteration 708: trace = 2.44929350925396 (1.89596e-07% change) linmin: converged after 2 iterations. iteration 709: trace = 2.449293507155359 (8.56819e-08% change) large trace change predicted (3.53602e-07%) linmin: converged after 13 iterations. iteration 710: trace = 2.449293498494528 (3.53605e-07% change) linmin: converged after 7 iterations. iteration 711: trace = 2.449293493006601 (2.24062e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.449293487839301 (2.10971e-07% change) linmin: converged after 16 iterations. iteration 713: trace = 2.449293479353592 (3.46455e-07% change) linmin: converged after 4 iterations. iteration 714: trace = 2.449293468416725 (4.46532e-07% change) linmin: converged after 4 iterations. iteration 715: trace = 2.449293466204248 (9.03312e-08% change) large trace change predicted (3.94189e-07%) linmin: converged after 11 iterations. iteration 716: trace = 2.449293456549298 (3.94193e-07% change) linmin: converged after 13 iterations. iteration 717: trace = 2.449293450153768 (2.61117e-07% change) linmin: converged after 6 iterations. iteration 718: trace = 2.449293448035268 (8.64943e-08% change) large trace change predicted (1.93877e-07%) linmin: converged after 28 iterations. iteration 719: trace = 2.449293443286568 (1.9388e-07% change) linmin: converged after 15 iterations. iteration 720: trace = 2.449293436842403 (2.63103e-07% change) linmin: converged after 15 iterations. iteration 721: trace = 2.449293435159273 (6.8719e-08% change) large trace change predicted (2.37797e-07%) linmin: converged after 5 iterations. iteration 722: trace = 2.449293429334772 (2.37803e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.449293422493635 (2.79311e-07% change) linmin: converged after 4 iterations. iteration 724: trace = 2.449293419681655 (1.14808e-07% change) large trace change predicted (3.57375e-07%) linmin: converged after 5 iterations. iteration 725: trace = 2.44929341092825 (3.57385e-07% change) linmin: converged after 15 iterations. iteration 726: trace = 2.449293401365326 (3.90436e-07% change) linmin: converged after 2 iterations. iteration 727: trace = 2.449293399194356 (8.86366e-08% change) large trace change predicted (3.60791e-07%) linmin: converged after 7 iterations. iteration 728: trace = 2.449293390357389 (3.60797e-07% change) linmin: converged after 4 iterations. iteration 729: trace = 2.449293384374638 (2.44264e-07% change) linmin: converged after 5 iterations. iteration 730: trace = 2.44929338047391 (1.59259e-07% change) linmin: converged after 13 iterations. iteration 731: trace = 2.449293374939781 (2.25948e-07% change) linmin: converged after 7 iterations. iteration 732: trace = 2.449293364309407 (4.34018e-07% change) linmin: converged after 4 iterations. iteration 733: trace = 2.44929336120834 (1.26611e-07% change) large trace change predicted (2.67648e-07%) linmin: converged after 10 iterations. iteration 734: trace = 2.449293354652786 (2.67651e-07% change) linmin: converged after 3 iterations. iteration 735: trace = 2.449293347813783 (2.79223e-07% change) linmin: converged after 7 iterations. iteration 736: trace = 2.449293344877164 (1.19897e-07% change) linmin: converged after 7 iterations. iteration 737: trace = 2.449293340072515 (1.96165e-07% change) linmin: converged after 7 iterations. iteration 738: trace = 2.449293336689746 (1.38112e-07% change) linmin: converged after 4 iterations. iteration 739: trace = 2.449293334995321 (6.91801e-08% change) large trace change predicted (1.41621e-07%) linmin: converged after 7 iterations. iteration 740: trace = 2.44929333152668 (1.41618e-07% change) linmin: converged after 5 iterations. iteration 741: trace = 2.449293325592226 (2.42293e-07% change) linmin: converged after 8 iterations. iteration 742: trace = 2.449293323676253 (7.82255e-08% change) large trace change predicted (3.90224e-07%) linmin: converged after 7 iterations. iteration 743: trace = 2.449293314119286 (3.90193e-07% change) linmin: converged after 4 iterations. iteration 744: trace = 2.449293305051359 (3.70226e-07% change) linmin: converged after 4 iterations. iteration 745: trace = 2.449293301228793 (1.56068e-07% change) linmin: converged after 5 iterations. iteration 746: trace = 2.449293293759903 (3.04941e-07% change) linmin: converged after 4 iterations. iteration 747: trace = 2.449293285259246 (3.47066e-07% change) linmin: converged after 4 iterations. iteration 748: trace = 2.449293281581426 (1.50158e-07% change) large trace change predicted (4.0202e-07%) linmin: converged after 5 iterations. iteration 749: trace = 2.449293271734551 (4.02029e-07% change) linmin: converged after 10 iterations. iteration 750: trace = 2.449293261696383 (4.09839e-07% change) linmin: converged after 5 iterations. iteration 751: trace = 2.449293252047075 (3.93963e-07% change) linmin: converged after 12 iterations. iteration 752: trace = 2.449293248615245 (1.40115e-07% change) large trace change predicted (4.7991e-07%) linmin: converged after 6 iterations. iteration 753: trace = 2.449293236860091 (4.79941e-07% change) linmin: converged after 4 iterations. iteration 754: trace = 2.449293230246521 (2.7002e-07% change) linmin: converged after 4 iterations. iteration 755: trace = 2.449293227426234 (1.15147e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.449293222690805 (1.93339e-07% change) linmin: converged after 4 iterations. iteration 757: trace = 2.449293217515391 (2.11302e-07% change) linmin: converged after 24 iterations. iteration 758: trace = 2.449293216083568 (5.84586e-08% change) large trace change predicted (2.31159e-07%) linmin: converged after 7 iterations. iteration 759: trace = 2.449293210421688 (2.31164e-07% change) linmin: converged after 4 iterations. iteration 760: trace = 2.449293208256873 (8.83853e-08% change) linmin: converged after 6 iterations. iteration 761: trace = 2.449293205565157 (1.09898e-07% change) large trace change predicted (3.25563e-07%) linmin: converged after 10 iterations. iteration 762: trace = 2.449293197591006 (3.25569e-07% change) linmin: converged after 4 iterations. iteration 763: trace = 2.449293194292462 (1.34673e-07% change) large trace change predicted (3.36803e-07%) linmin: converged after 4 iterations. iteration 764: trace = 2.449293186043188 (3.36802e-07% change) linmin: converged after 7 iterations. iteration 765: trace = 2.449293178634246 (3.02493e-07% change) linmin: converged after 7 iterations. iteration 766: trace = 2.449293171716965 (2.8242e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.449293166292309 (2.21478e-07% change) linmin: converged after 4 iterations. iteration 768: trace = 2.449293155738745 (4.30882e-07% change) large trace change predicted (3.21908e-06%) linmin: converged after 4 iterations. iteration 769: trace = 2.449293076889345 (3.21927e-06% change) resetting CG direction... linmin: converged after 5 iterations. iteration 770: trace = 2.449293050944771 (1.05927e-06% change) linmin: converged after 2 iterations. iteration 771: trace = 2.449293028044838 (9.34961e-07% change) linmin: converged after 2 iterations. iteration 772: trace = 2.449293016110505 (4.87256e-07% change) linmin: converged after 15 iterations. iteration 773: trace = 2.449293013072651 (1.2403e-07% change) large trace change predicted (3.54214e-07%) linmin: converged after 4 iterations. iteration 774: trace = 2.44929300439681 (3.54218e-07% change) linmin: converged after 4 iterations. iteration 775: trace = 2.449293002083938 (9.44302e-08% change) linmin: converged after 3 iterations. iteration 776: trace = 2.449292999655202 (9.91607e-08% change) linmin: converged after 8 iterations. iteration 777: trace = 2.449292995709639 (1.6109e-07% change) linmin: converged after 7 iterations. iteration 778: trace = 2.449292993842816 (7.62189e-08% change) linmin: converged after 4 iterations. iteration 779: trace = 2.449292990190584 (1.49114e-07% change) linmin: converged after 6 iterations. iteration 780: trace = 2.44929298653819 (1.4912e-07% change) linmin: converged after 17 iterations. iteration 781: trace = 2.44929298559593 (3.84707e-08% change) linmin: converged after 8 iterations. iteration 782: trace = 2.449292984279377 (5.37524e-08% change) linmin: converged after 4 iterations. iteration 783: trace = 2.449292982473056 (7.37487e-08% change) linmin: converged after 4 iterations. iteration 784: trace = 2.449292981266213 (4.92731e-08% change) linmin: converged after 7 iterations. iteration 785: trace = 2.449292978945507 (9.47501e-08% change) linmin: converged after 4 iterations. iteration 786: trace = 2.449292975044584 (1.59267e-07% change) linmin: converged after 4 iterations. iteration 787: trace = 2.449292973549084 (6.10584e-08% change) linmin: converged after 7 iterations. iteration 788: trace = 2.449292971104859 (9.97931e-08% change) linmin: converged after 4 iterations. iteration 789: trace = 2.449292967183476 (1.60103e-07% change) linmin: converged after 4 iterations. iteration 790: trace = 2.449292965303232 (7.67668e-08% change) large trace change predicted (1.98171e-07%) linmin: converged after 6 iterations. iteration 791: trace = 2.449292960449499 (1.98169e-07% change) linmin: converged after 8 iterations. iteration 792: trace = 2.4492929565545 (1.59025e-07% change) linmin: converged after 4 iterations. iteration 793: trace = 2.449292954187952 (9.66217e-08% change) linmin: converged after 7 iterations. iteration 794: trace = 2.449292952501317 (6.88621e-08% change) large trace change predicted (1.50297e-07%) linmin: converged after 6 iterations. iteration 795: trace = 2.449292948820074 (1.50298e-07% change) linmin: converged after 6 iterations. iteration 796: trace = 2.449292946578884 (9.15035e-08% change) linmin: converged after 6 iterations. iteration 797: trace = 2.4492929440756 (1.02204e-07% change) linmin: converged after 6 iterations. iteration 798: trace = 2.44929294184444 (9.1094e-08% change) linmin: converged after 4 iterations. iteration 799: trace = 2.449292939411533 (9.9331e-08% change) linmin: converged after 6 iterations. iteration 800: trace = 2.449292938905594 (2.06565e-08% change) large trace change predicted (6.53231e-08%) linmin: converged after 7 iterations. iteration 801: trace = 2.449292937305603 (6.53246e-08% change) linmin: converged after 3 iterations. iteration 802: trace = 2.449292936225631 (4.40932e-08% change) linmin: converged after 6 iterations. iteration 803: trace = 2.449292935795456 (1.75632e-08% change) large trace change predicted (5.78056e-08%) linmin: converged after 5 iterations. iteration 804: trace = 2.449292934379625 (5.78057e-08% change) linmin: converged after 4 iterations. iteration 805: trace = 2.44929293196233 (9.86936e-08% change) linmin: converged after 3 iterations. iteration 806: trace = 2.449292930871808 (4.45239e-08% change) linmin: converged after 4 iterations. iteration 807: trace = 2.449292929025036 (7.54002e-08% change) linmin: converged after 4 iterations. iteration 808: trace = 2.449292926416139 (1.06516e-07% change) linmin: converged after 15 iterations. iteration 809: trace = 2.449292925160456 (5.12671e-08% change) linmin: converged after 4 iterations. iteration 810: trace = 2.449292923510468 (6.73659e-08% change) linmin: converged after 7 iterations. iteration 811: trace = 2.449292921055966 (1.00213e-07% change) linmin: converged after 4 iterations. iteration 812: trace = 2.44929292054098 (2.10259e-08% change) large trace change predicted (8.54323e-08%) linmin: converged after 12 iterations. iteration 813: trace = 2.449292918448503 (8.54319e-08% change) linmin: converged after 4 iterations. iteration 814: trace = 2.449292916791608 (6.76479e-08% change) linmin: converged after 11 iterations. iteration 815: trace = 2.449292916082057 (2.89696e-08% change) large trace change predicted (1.1322e-07%) linmin: converged after 4 iterations. iteration 816: trace = 2.449292913308978 (1.1322e-07% change) linmin: converged after 7 iterations. iteration 817: trace = 2.449292910912646 (9.78377e-08% change) linmin: converged after 5 iterations. iteration 818: trace = 2.449292910358037 (2.26436e-08% change) linmin: converged after 4 iterations. iteration 819: trace = 2.449292909287076 (4.37253e-08% change) linmin: converged after 7 iterations. iteration 820: trace = 2.449292907754324 (6.25793e-08% change) linmin: converged after 4 iterations. iteration 821: trace = 2.44929290726912 (1.981e-08% change) large trace change predicted (6.32519e-08%) linmin: converged after 24 iterations. iteration 822: trace = 2.449292905719897 (6.32518e-08% change) linmin: converged after 4 iterations. iteration 823: trace = 2.449292904359893 (5.55264e-08% change) linmin: converged after 13 iterations. iteration 824: trace = 2.44929290315872 (4.90416e-08% change) linmin: converged after 4 iterations. iteration 825: trace = 2.449292902439177 (2.93775e-08% change) large trace change predicted (7.29904e-08%) linmin: converged after 4 iterations. iteration 826: trace = 2.449292900651435 (7.29901e-08% change) linmin: converged after 4 iterations. iteration 827: trace = 2.449292899871154 (3.18574e-08% change) large trace change predicted (7.14704e-08%) linmin: converged after 6 iterations. iteration 828: trace = 2.449292898120633 (7.14704e-08% change) linmin: converged after 4 iterations. iteration 829: trace = 2.44929289644922 (6.82407e-08% change) linmin: converged after 17 iterations. iteration 830: trace = 2.449292895568439 (3.59606e-08% change) linmin: converged after 4 iterations. iteration 831: trace = 2.449292894770636 (3.25728e-08% change) large trace change predicted (6.70632e-08%) linmin: converged after 4 iterations. iteration 832: trace = 2.449292893128064 (6.70631e-08% change) linmin: converged after 4 iterations. iteration 833: trace = 2.449292892711513 (1.7007e-08% change) large trace change predicted (4.89608e-08%) linmin: converged after 5 iterations. iteration 834: trace = 2.449292891512315 (4.8961e-08% change) linmin: converged after 12 iterations. iteration 835: trace = 2.449292890071998 (5.88054e-08% change) linmin: converged after 4 iterations. iteration 836: trace = 2.449292888707991 (5.56899e-08% change) linmin: converged after 10 iterations. iteration 837: trace = 2.449292888072222 (2.59572e-08% change) linmin: converged after 3 iterations. iteration 838: trace = 2.449292887317911 (3.07971e-08% change) linmin: converged after 4 iterations. iteration 839: trace = 2.449292886820534 (2.0307e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 840: trace = 2.449292886663034 (6.43042e-09% change) large trace change predicted (1.2912e-08%) linmin: converged after 4 iterations. iteration 841: trace = 2.449292886346788 (1.29117e-08% change) linmin: converged after 21 iterations. iteration 842: trace = 2.449292885792505 (2.26303e-08% change) linmin: converged after 4 iterations. iteration 843: trace = 2.449292885533664 (1.0568e-08% change) large trace change predicted (6.39695e-08%) linmin: converged after 4 iterations. iteration 844: trace = 2.449292883966869 (6.39693e-08% change) linmin: converged after 4 iterations. iteration 845: trace = 2.449292882776127 (4.86158e-08% change) linmin: converged after 4 iterations. iteration 846: trace = 2.44929288219734 (2.36308e-08% change) linmin: converged after 4 iterations. iteration 847: trace = 2.449292881068467 (4.60898e-08% change) linmin: converged after 4 iterations. iteration 848: trace = 2.449292880030361 (4.23839e-08% change) linmin: converged after 4 iterations. iteration 849: trace = 2.449292879581204 (1.83382e-08% change) large trace change predicted (4.97834e-08%) linmin: converged after 4 iterations. iteration 850: trace = 2.449292878361861 (4.97835e-08% change) linmin: converged after 13 iterations. iteration 851: trace = 2.449292877674381 (2.80685e-08% change) linmin: converged after 3 iterations. iteration 852: trace = 2.449292876599154 (4.38995e-08% change) linmin: converged after 12 iterations. iteration 853: trace = 2.449292874813741 (7.2895e-08% change) linmin: converged after 6 iterations. iteration 854: trace = 2.449292873984671 (3.38494e-08% change) linmin: converged after 4 iterations. iteration 855: trace = 2.449292873210549 (3.16059e-08% change) linmin: converged after 22 iterations. iteration 856: trace = 2.449292871961519 (5.09955e-08% change) linmin: converged after 5 iterations. iteration 857: trace = 2.449292870939143 (4.17417e-08% change) linmin: converged after 4 iterations. iteration 858: trace = 2.449292870574498 (1.48878e-08% change) large trace change predicted (4.03523e-08%) linmin: converged after 7 iterations. iteration 859: trace = 2.449292869586152 (4.03523e-08% change) linmin: converged after 14 iterations. iteration 860: trace = 2.449292868747079 (3.42578e-08% change) linmin: converged after 10 iterations. iteration 861: trace = 2.44929286836814 (1.54714e-08% change) linmin: converged after 4 iterations. iteration 862: trace = 2.44929286761192 (3.0875e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.449292866153526 (5.95435e-08% change) linmin: converged after 4 iterations. iteration 864: trace = 2.449292865752945 (1.6355e-08% change) large trace change predicted (8.29358e-08%) linmin: converged after 4 iterations. iteration 865: trace = 2.44929286372159 (8.29364e-08% change) linmin: converged after 4 iterations. iteration 866: trace = 2.449292862322135 (5.71371e-08% change) linmin: converged after 10 iterations. iteration 867: trace = 2.449292861850314 (1.92636e-08% change) linmin: converged after 3 iterations. iteration 868: trace = 2.449292860966873 (3.60693e-08% change) linmin: converged after 4 iterations. iteration 869: trace = 2.449292859552119 (5.77617e-08% change) linmin: converged after 4 iterations. iteration 870: trace = 2.449292859154904 (1.62175e-08% change) large trace change predicted (4.8918e-08%) linmin: converged after 10 iterations. iteration 871: trace = 2.449292857956749 (4.89184e-08% change) linmin: converged after 2 iterations. iteration 872: trace = 2.449292856382815 (6.42607e-08% change) linmin: converged after 9 iterations. iteration 873: trace = 2.449292855380105 (4.09388e-08% change) linmin: converged after 4 iterations. iteration 874: trace = 2.449292854638 (3.02987e-08% change) linmin: converged after 4 iterations. iteration 875: trace = 2.449292853422763 (4.96158e-08% change) linmin: converged after 5 iterations. iteration 876: trace = 2.449292852498708 (3.77274e-08% change) linmin: converged after 14 iterations. iteration 877: trace = 2.44929285225404 (9.98934e-09% change) linmin: converged after 3 iterations. iteration 878: trace = 2.449292851784123 (1.91858e-08% change) linmin: converged after 4 iterations. iteration 879: trace = 2.449292851010172 (3.15989e-08% change) linmin: converged after 4 iterations. iteration 880: trace = 2.449292850751648 (1.05551e-08% change) large trace change predicted (4.84129e-08%) linmin: converged after 8 iterations. iteration 881: trace = 2.449292849565906 (4.84116e-08% change) linmin: converged after 5 iterations. iteration 882: trace = 2.449292848174789 (5.67967e-08% change) linmin: converged after 18 iterations. iteration 883: trace = 2.44929284758822 (2.39485e-08% change) large trace change predicted (5.19972e-08%) linmin: converged after 12 iterations. iteration 884: trace = 2.449292846314686 (5.1996e-08% change) linmin: converged after 5 iterations. iteration 885: trace = 2.449292844211046 (8.58876e-08% change) linmin: converged after 4 iterations. iteration 886: trace = 2.449292843787505 (1.72924e-08% change) large trace change predicted (5.4608e-08%) linmin: converged after 10 iterations. iteration 887: trace = 2.449292842449995 (5.4608e-08% change) linmin: converged after 5 iterations. iteration 888: trace = 2.449292840974808 (6.02291e-08% change) linmin: converged after 6 iterations. iteration 889: trace = 2.449292840239777 (3.00099e-08% change) large trace change predicted (8.99008e-08%) linmin: converged after 7 iterations. iteration 890: trace = 2.449292838037817 (8.99019e-08% change) linmin: converged after 11 iterations. iteration 891: trace = 2.449292836459192 (6.44523e-08% change) linmin: converged after 5 iterations. iteration 892: trace = 2.449292836045462 (1.68918e-08% change) large trace change predicted (5.18763e-08%) linmin: converged after 41 iterations. iteration 893: trace = 2.449292834774843 (5.1877e-08% change) linmin: converged after 12 iterations. iteration 894: trace = 2.449292833546775 (5.01397e-08% change) linmin: converged after 4 iterations. iteration 895: trace = 2.449292833176676 (1.51104e-08% change) large trace change predicted (3.96536e-08%) linmin: converged after 6 iterations. iteration 896: trace = 2.449292832205436 (3.96539e-08% change) linmin: converged after 3 iterations. iteration 897: trace = 2.449292831623656 (2.3753e-08% change) linmin: converged after 3 iterations. iteration 898: trace = 2.449292831317547 (1.24978e-08% change) linmin: converged after 4 iterations. iteration 899: trace = 2.449292830721409 (2.43392e-08% change) linmin: converged after 2 iterations. iteration 900: trace = 2.449292829813082 (3.70853e-08% change) linmin: converged after 7 iterations. iteration 901: trace = 2.449292829246363 (2.31381e-08% change) large trace change predicted (4.93449e-08%) linmin: converged after 4 iterations. iteration 902: trace = 2.449292828037762 (4.93449e-08% change) linmin: converged after 4 iterations. iteration 903: trace = 2.449292826549731 (6.07535e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.449292826112185 (1.78642e-08% change) linmin: converged after 4 iterations. iteration 905: trace = 2.449292825291375 (3.35121e-08% change) large trace change predicted (8.60286e-08%) linmin: converged after 4 iterations. iteration 906: trace = 2.449292823184289 (8.60283e-08% change) linmin: converged after 14 iterations. iteration 907: trace = 2.449292822541658 (2.62374e-08% change) large trace change predicted (1.33293e-07%) linmin: converged after 4 iterations. iteration 908: trace = 2.449292819276921 (1.33293e-07% change) linmin: converged after 16 iterations. iteration 909: trace = 2.449292814908259 (1.78364e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 910: trace = 2.449292812393064 (1.02691e-07% change) linmin: converged after 4 iterations. iteration 911: trace = 2.449292810570963 (7.43929e-08% change) linmin: converged after 4 iterations. iteration 912: trace = 2.449292808084921 (1.015e-07% change) linmin: converged after 3 iterations. iteration 913: trace = 2.449292806858005 (5.00927e-08% change) linmin: converged after 7 iterations. iteration 914: trace = 2.449292806344212 (2.09772e-08% change) linmin: converged after 2 iterations. iteration 915: trace = 2.449292805675946 (2.7284e-08% change) linmin: converged after 8 iterations. iteration 916: trace = 2.449292805068025 (2.48203e-08% change) linmin: converged after 2 iterations. iteration 917: trace = 2.449292804596136 (1.92664e-08% change) large trace change predicted (4.07602e-08%) linmin: converged after 4 iterations. iteration 918: trace = 2.449292803597798 (4.07602e-08% change) linmin: converged after 20 iterations. iteration 919: trace = 2.449292803399901 (8.07975e-09% change) large trace change predicted (1.9408e-08%) linmin: converged after 4 iterations. iteration 920: trace = 2.449292802924537 (1.94082e-08% change) linmin: converged after 4 iterations. iteration 921: trace = 2.449292802465405 (1.87455e-08% change) linmin: converged after 24 iterations. iteration 922: trace = 2.449292802340246 (5.10997e-09% change) large trace change predicted (1.44896e-08%) linmin: converged after 5 iterations. iteration 923: trace = 2.449292801985368 (1.4489e-08% change) linmin: converged after 4 iterations. iteration 924: trace = 2.449292801428902 (2.27195e-08% change) linmin: converged after 4 iterations. iteration 925: trace = 2.449292801204366 (9.16738e-09% change) large trace change predicted (3.11662e-08%) linmin: converged after 5 iterations. iteration 926: trace = 2.449292800441025 (3.11658e-08% change) linmin: converged after 4 iterations. iteration 927: trace = 2.449292799791718 (2.651e-08% change) linmin: converged after 3 iterations. iteration 928: trace = 2.449292799491786 (1.22457e-08% change) large trace change predicted (2.89188e-08%) linmin: converged after 6 iterations. iteration 929: trace = 2.449292798783482 (2.89187e-08% change) linmin: converged after 4 iterations. iteration 930: trace = 2.449292797840208 (3.85121e-08% change) linmin: converged after 9 iterations. iteration 931: trace = 2.449292797400267 (1.7962e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.449292796885245 (2.10273e-08% change) linmin: converged after 4 iterations. iteration 933: trace = 2.449292796132202 (3.07453e-08% change) linmin: converged after 2 iterations. iteration 934: trace = 2.449292795931357 (8.20013e-09% change) large trace change predicted (3.19787e-08%) linmin: converged after 9 iterations. iteration 935: trace = 2.44929279514811 (3.19785e-08% change) linmin: converged after 7 iterations. iteration 936: trace = 2.449292794493852 (2.67121e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.449292794030775 (1.89065e-08% change) linmin: converged after 4 iterations. iteration 938: trace = 2.44929279386145 (6.91324e-09% change) large trace change predicted (2.03651e-08%) linmin: converged after 6 iterations. iteration 939: trace = 2.449292793362641 (2.03654e-08% change) linmin: converged after 2 iterations. iteration 940: trace = 2.449292793128961 (9.5407e-09% change) linmin: converged after 4 iterations. iteration 941: trace = 2.449292792997828 (5.35391e-09% change) linmin: converged after 3 iterations. iteration 942: trace = 2.449292792763263 (9.57684e-09% change) linmin: converged after 4 iterations. iteration 943: trace = 2.44929279237176 (1.59843e-08% change) linmin: converged after 4 iterations. iteration 944: trace = 2.449292792190978 (7.38103e-09% change) large trace change predicted (1.71223e-08%) linmin: converged after 6 iterations. iteration 945: trace = 2.449292791771602 (1.71223e-08% change) linmin: converged after 6 iterations. iteration 946: trace = 2.449292791299036 (1.9294e-08% change) linmin: converged after 4 iterations. iteration 947: trace = 2.449292791119835 (7.31644e-09% change) large trace change predicted (2.17749e-08%) linmin: converged after 3 iterations. iteration 948: trace = 2.449292790586502 (2.1775e-08% change) linmin: converged after 4 iterations. iteration 949: trace = 2.449292790121263 (1.89948e-08% change) linmin: converged after 2 iterations. iteration 950: trace = 2.449292789926099 (7.96815e-09% change) linmin: converged after 8 iterations. iteration 951: trace = 2.449292789538755 (1.58145e-08% change) linmin: converged after 10 iterations. iteration 952: trace = 2.449292789140467 (1.62614e-08% change) linmin: converged after 6 iterations. iteration 953: trace = 2.449292788976283 (6.70331e-09% change) linmin: converged after 22 iterations. iteration 954: trace = 2.449292788681762 (1.20247e-08% change) large trace change predicted (2.62115e-08%) linmin: converged after 4 iterations. iteration 955: trace = 2.449292788039787 (2.62106e-08% change) linmin: converged after 6 iterations. iteration 956: trace = 2.449292787913581 (5.15276e-09% change) large trace change predicted (1.67446e-08%) linmin: converged after 4 iterations. iteration 957: trace = 2.449292787503457 (1.67446e-08% change) linmin: converged after 4 iterations. iteration 958: trace = 2.449292787290118 (8.71022e-09% change) linmin: converged after 4 iterations. iteration 959: trace = 2.449292787196471 (3.82344e-09% change) large trace change predicted (9.18532e-09%) linmin: converged after 5 iterations. iteration 960: trace = 2.449292786971499 (9.18517e-09% change) linmin: converged after 4 iterations. iteration 961: trace = 2.449292786682367 (1.18047e-08% change) linmin: converged after 4 iterations. iteration 962: trace = 2.449292786570358 (4.57312e-09% change) large trace change predicted (1.07073e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.449292786308102 (1.07074e-08% change) linmin: converged after 4 iterations. iteration 964: trace = 2.449292786049144 (1.05728e-08% change) linmin: converged after 4 iterations. iteration 965: trace = 2.449292785911144 (5.63427e-09% change) large trace change predicted (1.4625e-08%) linmin: converged after 17 iterations. iteration 966: trace = 2.449292785552943 (1.46247e-08% change) linmin: converged after 4 iterations. iteration 967: trace = 2.449292785055311 (2.03174e-08% change) linmin: converged after 5 iterations. iteration 968: trace = 2.449292784832112 (9.11282e-09% change) linmin: converged after 4 iterations. iteration 969: trace = 2.44929278463757 (7.94275e-09% change) linmin: converged after 4 iterations. iteration 970: trace = 2.449292784386425 (1.02538e-08% change) linmin: converged after 5 iterations. iteration 971: trace = 2.449292784060509 (1.33066e-08% change) linmin: converged after 6 iterations. iteration 972: trace = 2.449292783980661 (3.26003e-09% change) large trace change predicted (1.10923e-08%) linmin: converged after 18 iterations. iteration 973: trace = 2.449292783708979 (1.10923e-08% change) linmin: converged after 13 iterations. iteration 974: trace = 2.44929278345733 (1.02743e-08% change) linmin: converged after 4 iterations. iteration 975: trace = 2.449292783338016 (4.87138e-09% change) large trace change predicted (1.2259e-08%) linmin: converged after 4 iterations. iteration 976: trace = 2.449292783037754 (1.22591e-08% change) linmin: converged after 20 iterations. iteration 977: trace = 2.449292782924272 (4.63326e-09% change) linmin: converged after 5 iterations. iteration 978: trace = 2.449292782877337 (1.91626e-09% change) linmin: converged after 4 iterations. iteration 979: trace = 2.449292782801074 (3.11367e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.449292782736586 (2.63292e-09% change) linmin: converged after 4 iterations. iteration 981: trace = 2.449292782706129 (1.24352e-09% change) large trace change predicted (4.40222e-09%) linmin: converged after 5 iterations. iteration 982: trace = 2.449292782598297 (4.40258e-09% change) linmin: converged after 15 iterations. iteration 983: trace = 2.449292782386536 (8.64581e-09% change) linmin: converged after 5 iterations. iteration 984: trace = 2.449292782280218 (4.34075e-09% change) large trace change predicted (1.06397e-08%) linmin: converged after 4 iterations. iteration 985: trace = 2.44929278201962 (1.06398e-08% change) linmin: converged after 22 iterations. iteration 986: trace = 2.449292781781561 (9.71948e-09% change) linmin: converged after 17 iterations. iteration 987: trace = 2.44929278169817 (3.40468e-09% change) large trace change predicted (1.20999e-08%) linmin: converged after 4 iterations. iteration 988: trace = 2.449292781401811 (1.20998e-08% change) linmin: converged after 4 iterations. iteration 989: trace = 2.449292781260783 (5.75789e-09% change) linmin: converged after 15 iterations. iteration 990: trace = 2.449292781153036 (4.39911e-09% change) large trace change predicted (1.05717e-08%) linmin: converged after 4 iterations. iteration 991: trace = 2.449292780894103 (1.05718e-08% change) linmin: converged after 4 iterations. iteration 992: trace = 2.449292780607391 (1.17059e-08% change) linmin: converged after 9 iterations. iteration 993: trace = 2.449292780455747 (6.19132e-09% change) linmin: converged after 4 iterations. iteration 994: trace = 2.449292780160332 (1.20613e-08% change) linmin: converged after 4 iterations. iteration 995: trace = 2.449292779996815 (6.67606e-09% change) linmin: converged after 8 iterations. iteration 996: trace = 2.449292779835605 (6.58192e-09% change) linmin: converged after 5 iterations. iteration 997: trace = 2.449292779615555 (8.98423e-09% change) linmin: converged after 4 iterations. iteration 998: trace = 2.449292779407375 (8.49957e-09% change) linmin: converged after 4 iterations. iteration 999: trace = 2.449292779348755 (2.39337e-09% change) large trace change predicted (7.53794e-09%) linmin: converged after 5 iterations. iteration 1000: trace = 2.449292779164133 (7.53775e-09% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.449292779034311 (5.3004e-09% change) linmin: converged after 3 iterations. iteration 1002: trace = 2.449292778951312 (3.38869e-09% change) large trace change predicted (1.29179e-08%) linmin: converged after 9 iterations. iteration 1003: trace = 2.449292778634904 (1.29183e-08% change) linmin: converged after 2 iterations. iteration 1004: trace = 2.449292778249367 (1.57407e-08% change) linmin: converged after 9 iterations. iteration 1005: trace = 2.449292778178586 (2.88988e-09% change) large trace change predicted (9.92933e-09%) linmin: converged after 4 iterations. iteration 1006: trace = 2.449292777935386 (9.92938e-09% change) linmin: converged after 5 iterations. iteration 1007: trace = 2.449292777673786 (1.06807e-08% change) linmin: converged after 3 iterations. iteration 1008: trace = 2.449292777479335 (7.93905e-09% change) linmin: converged after 7 iterations. iteration 1009: trace = 2.449292777311001 (6.87275e-09% change) linmin: converged after 11 iterations. iteration 1010: trace = 2.449292777087547 (9.12321e-09% change) linmin: converged after 7 iterations. iteration 1011: trace = 2.449292776924163 (6.67066e-09% change) linmin: converged after 7 iterations. iteration 1012: trace = 2.449292776731667 (7.85924e-09% change) linmin: converged after 7 iterations. iteration 1013: trace = 2.449292776449633 (1.15149e-08% change) linmin: converged after 5 iterations. iteration 1014: trace = 2.449292776244336 (8.38188e-09% change) linmin: converged after 18 iterations. iteration 1015: trace = 2.449292776098047 (5.97273e-09% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.44929277588989 (8.49862e-09% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.449292775788705 (4.1312e-09% change) linmin: converged after 16 iterations. iteration 1018: trace = 2.449292775740269 (1.97755e-09% change) large trace change predicted (6.09887e-09%) linmin: converged after 4 iterations. iteration 1019: trace = 2.449292775590888 (6.09896e-09% change) linmin: converged after 6 iterations. iteration 1020: trace = 2.449292775459265 (5.37393e-09% change) linmin: converged after 4 iterations. iteration 1021: trace = 2.449292775319269 (5.71575e-09% change) large trace change predicted (1.17394e-08%) linmin: converged after 4 iterations. iteration 1022: trace = 2.449292775031733 (1.17395e-08% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.449292774727794 (1.24093e-08% change) linmin: converged after 3 iterations. iteration 1024: trace = 2.4492927746411 (3.53952e-09% change) large trace change predicted (1.7448e-08%) linmin: converged after 4 iterations. iteration 1025: trace = 2.449292774213753 (1.74478e-08% change) linmin: converged after 18 iterations. iteration 1026: trace = 2.449292773988128 (9.21187e-09% change) linmin: converged after 3 iterations. iteration 1027: trace = 2.449292773860159 (5.2247e-09% change) large trace change predicted (1.10361e-08%) linmin: converged after 5 iterations. iteration 1028: trace = 2.449292773589856 (1.1036e-08% change) linmin: converged after 12 iterations. iteration 1029: trace = 2.449292773127269 (1.88866e-08% change) linmin: converged after 7 iterations. iteration 1030: trace = 2.449292773046314 (3.30523e-09% change) large trace change predicted (1.46883e-08%) linmin: converged after 19 iterations. iteration 1031: trace = 2.449292772686544 (1.46887e-08% change) linmin: converged after 12 iterations. iteration 1032: trace = 2.449292772447815 (9.74686e-09% change) linmin: converged after 4 iterations. iteration 1033: trace = 2.449292772363141 (3.45708e-09% change) large trace change predicted (1.02046e-08%) linmin: converged after 4 iterations. iteration 1034: trace = 2.449292772113195 (1.02048e-08% change) linmin: converged after 4 iterations. iteration 1035: trace = 2.449292771901972 (8.62384e-09% change) linmin: converged after 15 iterations. iteration 1036: trace = 2.449292771859989 (1.71412e-09% change) large trace change predicted (4.99843e-09%) linmin: converged after 4 iterations. iteration 1037: trace = 2.449292771737559 (4.99855e-09% change) linmin: converged after 11 iterations. iteration 1038: trace = 2.449292771574586 (6.65389e-09% change) linmin: converged after 4 iterations. iteration 1039: trace = 2.449292771444928 (5.29371e-09% change) linmin: converged after 17 iterations. iteration 1040: trace = 2.449292771376859 (2.77911e-09% change) large trace change predicted (1.16963e-08%) linmin: converged after 2 iterations. iteration 1041: trace = 2.449292771090374 (1.16967e-08% change) linmin: converged after 17 iterations. iteration 1042: trace = 2.449292770860522 (9.38441e-09% change) linmin: converged after 4 iterations. iteration 1043: trace = 2.449292770740974 (4.8809e-09% change) linmin: converged after 4 iterations. iteration 1044: trace = 2.449292770522123 (8.93528e-09% change) linmin: converged after 3 iterations. iteration 1045: trace = 2.449292770200719 (1.31223e-08% change) linmin: converged after 3 iterations. iteration 1046: trace = 2.44929277003367 (6.8203e-09% change) large trace change predicted (2.04497e-08%) linmin: converged after 6 iterations. iteration 1047: trace = 2.449292769532792 (2.04499e-08% change) linmin: converged after 5 iterations. iteration 1048: trace = 2.449292769219966 (1.27721e-08% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.44929276879008 (1.75514e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1050: trace = 2.449292768390965 (1.62951e-08% change) linmin: converged after 6 iterations. iteration 1051: trace = 2.449292768128785 (1.07043e-08% change) linmin: converged after 12 iterations. iteration 1052: trace = 2.449292767724566 (1.65035e-08% change) linmin: converged after 9 iterations. iteration 1053: trace = 2.449292767603756 (4.93243e-09% change) large trace change predicted (1.02129e-08%) linmin: converged after 10 iterations. iteration 1054: trace = 2.449292767353613 (1.02129e-08% change) linmin: converged after 4 iterations. iteration 1055: trace = 2.449292767190382 (6.6644e-09% change) linmin: converged after 27 iterations. iteration 1056: trace = 2.449292767108253 (3.35317e-09% change) linmin: converged after 4 iterations. iteration 1057: trace = 2.449292766948267 (6.53192e-09% change) linmin: converged after 3 iterations. iteration 1058: trace = 2.44929276676254 (7.5829e-09% change) linmin: converged after 4 iterations. iteration 1059: trace = 2.449292766721548 (1.67361e-09% change) large trace change predicted (3.82108e-09%) linmin: converged after 3 iterations. iteration 1060: trace = 2.44929276662795 (3.82145e-09% change) linmin: converged after 3 iterations. iteration 1061: trace = 2.449292766522554 (4.30313e-09% change) linmin: converged after 6 iterations. iteration 1062: trace = 2.449292766486206 (1.48401e-09% change) large trace change predicted (3.15479e-09%) linmin: converged after 5 iterations. iteration 1063: trace = 2.449292766408937 (3.15472e-09% change) linmin: converged after 5 iterations. iteration 1064: trace = 2.449292766281056 (5.22115e-09% change) linmin: converged after 18 iterations. iteration 1065: trace = 2.449292766234763 (1.89005e-09% change) large trace change predicted (6.12863e-09%) linmin: converged after 4 iterations. iteration 1066: trace = 2.449292766084668 (6.12813e-09% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.449292765939092 (5.94356e-09% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.449292765766888 (7.03078e-09% change) linmin: converged after 5 iterations. iteration 1069: trace = 2.449292765695915 (2.89769e-09% change) large trace change predicted (8.797e-09%) linmin: converged after 4 iterations. iteration 1070: trace = 2.449292765480459 (8.79665e-09% change) linmin: converged after 15 iterations. iteration 1071: trace = 2.449292765362018 (4.83571e-09% change) linmin: converged after 8 iterations. iteration 1072: trace = 2.449292765301362 (2.4765e-09% change) large trace change predicted (5.04e-09%) linmin: converged after 24 iterations. iteration 1073: trace = 2.449292765177919 (5.03993e-09% change) linmin: converged after 13 iterations. iteration 1074: trace = 2.44929276508768 (3.6843e-09% change) linmin: converged after 4 iterations. iteration 1075: trace = 2.449292764952729 (5.5098e-09% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.449292764804856 (6.03735e-09% change) linmin: converged after 10 iterations. iteration 1077: trace = 2.449292764759179 (1.86492e-09% change) linmin: converged after 4 iterations. iteration 1078: trace = 2.449292764670067 (3.63829e-09% change) linmin: converged after 5 iterations. iteration 1079: trace = 2.449292764576132 (3.83516e-09% change) linmin: converged after 20 iterations. iteration 1080: trace = 2.449292764508781 (2.74985e-09% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.44929276448999 (7.67173e-10% change) large trace change predicted (2.00185e-09%) linmin: converged after 4 iterations. iteration 1082: trace = 2.449292764440962 (2.00172e-09% change) linmin: converged after 3 iterations. iteration 1083: trace = 2.449292764352703 (3.60347e-09% change) linmin: converged after 6 iterations. iteration 1084: trace = 2.449292764319538 (1.35407e-09% change) large trace change predicted (4.4461e-09%) linmin: converged after 2 iterations. iteration 1085: trace = 2.449292764210626 (4.44665e-09% change) linmin: converged after 8 iterations. iteration 1086: trace = 2.449292764104184 (4.34582e-09% change) linmin: converged after 6 iterations. iteration 1087: trace = 2.449292764040278 (2.60915e-09% change) linmin: converged after 6 iterations. iteration 1088: trace = 2.449292763952479 (3.58469e-09% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.449292763865729 (3.54185e-09% change) linmin: converged after 20 iterations. iteration 1090: trace = 2.449292763825361 (1.64816e-09% change) large trace change predicted (3.82418e-09%) linmin: converged after 10 iterations. iteration 1091: trace = 2.449292763731694 (3.82424e-09% change) linmin: converged after 5 iterations. iteration 1092: trace = 2.449292763656467 (3.07137e-09% change) linmin: converged after 18 iterations. iteration 1093: trace = 2.449292763623592 (1.34223e-09% change) large trace change predicted (2.95482e-09%) linmin: converged after 9 iterations. iteration 1094: trace = 2.449292763551219 (2.95484e-09% change) linmin: converged after 14 iterations. iteration 1095: trace = 2.44929276342259 (5.25168e-09% change) linmin: converged after 3 iterations. iteration 1096: trace = 2.449292763402339 (8.26788e-10% change) large trace change predicted (3.71481e-09%) linmin: converged after 3 iterations. iteration 1097: trace = 2.449292763311348 (3.715e-09% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.449292763266317 (1.83855e-09% change) linmin: converged after 13 iterations. iteration 1099: trace = 2.44929276323546 (1.25984e-09% change) linmin: converged after 9 iterations. iteration 1100: trace = 2.449292763202825 (1.33242e-09% change) large trace change predicted (2.87019e-09%) linmin: converged after 12 iterations. iteration 1101: trace = 2.449292763132513 (2.87071e-09% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.449292763104338 (1.15031e-09% change) linmin: converged after 4 iterations. iteration 1103: trace = 2.449292763058433 (1.87423e-09% change) linmin: converged after 2 iterations. iteration 1104: trace = 2.449292762984287 (3.02724e-09% change) linmin: converged after 3 iterations. iteration 1105: trace = 2.449292762938214 (1.88107e-09% change) linmin: converged after 5 iterations. iteration 1106: trace = 2.449292762890886 (1.93229e-09% change) large trace change predicted (4.35628e-09%) linmin: converged after 5 iterations. iteration 1107: trace = 2.449292762784181 (4.35659e-09% change) linmin: converged after 6 iterations. iteration 1108: trace = 2.449292762726238 (2.36568e-09% change) linmin: converged after 13 iterations. iteration 1109: trace = 2.449292762693443 (1.33894e-09% change) linmin: converged after 14 iterations. iteration 1110: trace = 2.449292762642759 (2.06933e-09% change) linmin: converged after 3 iterations. iteration 1111: trace = 2.449292762605331 (1.52813e-09% change) linmin: converged after 20 iterations. iteration 1112: trace = 2.449292762561192 (1.80213e-09% change) linmin: converged after 5 iterations. iteration 1113: trace = 2.449292762488975 (2.94846e-09% change) linmin: converged after 4 iterations. iteration 1114: trace = 2.449292762463506 (1.03987e-09% change) large trace change predicted (2.25058e-09%) linmin: converged after 4 iterations. iteration 1115: trace = 2.449292762408382 (2.25061e-09% change) linmin: converged after 4 iterations. iteration 1116: trace = 2.449292762349442 (2.40641e-09% change) linmin: converged after 6 iterations. iteration 1117: trace = 2.449292762320745 (1.17163e-09% change) linmin: converged after 4 iterations. iteration 1118: trace = 2.449292762312784 (3.25058e-10% change) linmin: converged after 6 iterations. iteration 1119: trace = 2.449292762302037 (4.3876e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1120: trace = 2.449292762291865 (4.15316e-10% change) linmin: converged after 7 iterations. iteration 1121: trace = 2.449292762284672 (2.93691e-10% change) large trace change predicted (1.05281e-09%) linmin: converged after 5 iterations. iteration 1122: trace = 2.449292762258884 (1.05285e-09% change) linmin: converged after 5 iterations. iteration 1123: trace = 2.449292762239086 (8.08331e-10% change) large trace change predicted (1.78475e-09%) linmin: converged after 4 iterations. iteration 1124: trace = 2.449292762195369 (1.78488e-09% change) linmin: converged after 6 iterations. iteration 1125: trace = 2.449292762138346 (2.32815e-09% change) linmin: converged after 15 iterations. iteration 1126: trace = 2.449292762099618 (1.58116e-09% change) linmin: converged after 7 iterations. iteration 1127: trace = 2.4492927620664 (1.35622e-09% change) linmin: converged after 4 iterations. iteration 1128: trace = 2.449292762003416 (2.57155e-09% change) linmin: converged after 12 iterations. iteration 1129: trace = 2.449292761979819 (9.63408e-10% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.44929276195271 (1.10683e-09% change) large trace change predicted (2.50833e-09%) linmin: converged after 16 iterations. iteration 1131: trace = 2.449292761891278 (2.50812e-09% change) linmin: converged after 15 iterations. iteration 1132: trace = 2.449292761857699 (1.37098e-09% change) linmin: converged after 24 iterations. iteration 1133: trace = 2.449292761796992 (2.47857e-09% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.449292761732873 (2.61785e-09% change) linmin: converged after 9 iterations. iteration 1135: trace = 2.449292761700014 (1.34155e-09% change) linmin: converged after 13 iterations. iteration 1136: trace = 2.449292761662959 (1.51288e-09% change) linmin: converged after 16 iterations. iteration 1137: trace = 2.449292761615074 (1.95506e-09% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.449292761584487 (1.24879e-09% change) linmin: converged after 9 iterations. iteration 1139: trace = 2.449292761555222 (1.19485e-09% change) linmin: converged after 17 iterations. iteration 1140: trace = 2.449292761518958 (1.48059e-09% change) linmin: converged after 15 iterations. iteration 1141: trace = 2.449292761490439 (1.16436e-09% change) linmin: converged after 6 iterations. iteration 1142: trace = 2.44929276147636 (5.74817e-10% change) large trace change predicted (2.78319e-09%) linmin: converged after 18 iterations. iteration 1143: trace = 2.44929276140819 (2.78327e-09% change) linmin: converged after 16 iterations. iteration 1144: trace = 2.449292761345009 (2.57956e-09% change) linmin: converged after 4 iterations. iteration 1145: trace = 2.44929276131443 (1.2485e-09% change) linmin: converged after 4 iterations. iteration 1146: trace = 2.449292761266779 (1.94549e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.449292761203063 (2.60139e-09% change) linmin: converged after 10 iterations. iteration 1148: trace = 2.449292761177097 (1.06014e-09% change) linmin: converged after 11 iterations. iteration 1149: trace = 2.449292761128534 (1.98275e-09% change) linmin: converged after 3 iterations. iteration 1150: trace = 2.449292761081884 (1.90462e-09% change) linmin: converged after 8 iterations. iteration 1151: trace = 2.449292761013441 (2.7944e-09% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.449292760995565 (7.2984e-10% change) large trace change predicted (2.3726e-09%) linmin: converged after 4 iterations. iteration 1153: trace = 2.449292760937457 (2.37245e-09% change) linmin: converged after 7 iterations. iteration 1154: trace = 2.449292760879771 (2.35519e-09% change) linmin: converged after 6 iterations. iteration 1155: trace = 2.449292760859085 (8.44575e-10% change) large trace change predicted (1.70114e-09%) linmin: converged after 3 iterations. iteration 1156: trace = 2.449292760817419 (1.70117e-09% change) linmin: converged after 3 iterations. iteration 1157: trace = 2.449292760786551 (1.26027e-09% change) linmin: converged after 7 iterations. iteration 1158: trace = 2.449292760777601 (3.65419e-10% change) large trace change predicted (1.36693e-09%) linmin: converged after 20 iterations. iteration 1159: trace = 2.449292760744122 (1.36688e-09% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.449292760698735 (1.85304e-09% change) linmin: converged after 18 iterations. iteration 1161: trace = 2.449292760682941 (6.44841e-10% change) large trace change predicted (2.22976e-09%) linmin: converged after 14 iterations. iteration 1162: trace = 2.449292760628325 (2.22986e-09% change) linmin: converged after 6 iterations. iteration 1163: trace = 2.449292760553186 (3.0678e-09% change) linmin: converged after 15 iterations. iteration 1164: trace = 2.449292760530432 (9.29013e-10% change) large trace change predicted (3.35936e-09%) linmin: converged after 4 iterations. iteration 1165: trace = 2.449292760448156 (3.35917e-09% change) linmin: converged after 12 iterations. iteration 1166: trace = 2.449292760405035 (1.76053e-09% change) linmin: converged after 3 iterations. iteration 1167: trace = 2.44929276038233 (9.27018e-10% change) large trace change predicted (2.74379e-09%) linmin: converged after 2 iterations. iteration 1168: trace = 2.449292760315133 (2.74351e-09% change) linmin: converged after 5 iterations. iteration 1169: trace = 2.449292760232028 (3.39302e-09% change) linmin: converged after 13 iterations. iteration 1170: trace = 2.449292760210748 (8.68835e-10% change) large trace change predicted (3.21979e-09%) linmin: converged after 4 iterations. iteration 1171: trace = 2.449292760131882 (3.21994e-09% change) linmin: converged after 7 iterations. iteration 1172: trace = 2.44929276007937 (2.14397e-09% change) linmin: converged after 4 iterations. iteration 1173: trace = 2.449292760040843 (1.57298e-09% change) linmin: converged after 21 iterations. iteration 1174: trace = 2.449292760008499 (1.32054e-09% change) linmin: converged after 5 iterations. iteration 1175: trace = 2.449292759963597 (1.83328e-09% change) linmin: converged after 7 iterations. iteration 1176: trace = 2.449292759941327 (9.09232e-10% change) linmin: converged after 4 iterations. iteration 1177: trace = 2.449292759930403 (4.45994e-10% change) large trace change predicted (1.26368e-09%) linmin: converged after 4 iterations. iteration 1178: trace = 2.449292759899457 (1.26346e-09% change) linmin: converged after 3 iterations. iteration 1179: trace = 2.449292759856346 (1.76015e-09% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.449292759834289 (9.00547e-10% change) large trace change predicted (1.90927e-09%) linmin: converged after 15 iterations. iteration 1181: trace = 2.44929275978753 (1.90907e-09% change) linmin: converged after 5 iterations. iteration 1182: trace = 2.449292759740735 (1.91055e-09% change) linmin: converged after 13 iterations. iteration 1183: trace = 2.449292759716291 (9.98021e-10% change) large trace change predicted (2.04248e-09%) linmin: converged after 13 iterations. iteration 1184: trace = 2.449292759666267 (2.0424e-09% change) linmin: converged after 5 iterations. iteration 1185: trace = 2.449292759589927 (3.11681e-09% change) linmin: converged after 13 iterations. iteration 1186: trace = 2.449292759560856 (1.18689e-09% change) large trace change predicted (4.22091e-09%) linmin: converged after 21 iterations. iteration 1187: trace = 2.449292759457477 (4.22079e-09% change) linmin: converged after 9 iterations. iteration 1188: trace = 2.449292759355255 (4.17352e-09% change) linmin: converged after 2 iterations. iteration 1189: trace = 2.449292759285013 (2.86783e-09% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1190: trace = 2.449292759218539 (2.71404e-09% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.449292759131809 (3.54101e-09% change) linmin: converged after 9 iterations. iteration 1192: trace = 2.449292759050741 (3.30986e-09% change) linmin: converged after 16 iterations. iteration 1193: trace = 2.449292759029729 (8.57884e-10% change) large trace change predicted (2.32367e-09%) linmin: converged after 22 iterations. iteration 1194: trace = 2.449292758972808 (2.32396e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.449292758938468 (1.40204e-09% change) linmin: converged after 4 iterations. iteration 1196: trace = 2.449292758921942 (6.74739e-10% change) large trace change predicted (1.40069e-09%) linmin: converged after 14 iterations. iteration 1197: trace = 2.449292758887621 (1.40124e-09% change) linmin: converged after 7 iterations. iteration 1198: trace = 2.449292758857818 (1.21681e-09% change) linmin: converged after 12 iterations. iteration 1199: trace = 2.449292758842747 (6.15305e-10% change) linmin: converged after 6 iterations. iteration 1200: trace = 2.44929275881523 (1.12349e-09% change) linmin: converged after 13 iterations. iteration 1201: trace = 2.449292758799249 (6.52438e-10% change) linmin: converged after 3 iterations. iteration 1202: trace = 2.449292758789549 (3.96043e-10% change) large trace change predicted (7.98141e-10%) linmin: converged after 6 iterations. iteration 1203: trace = 2.449292758770009 (7.97796e-10% change) linmin: converged after 8 iterations. iteration 1204: trace = 2.449292758745472 (1.00177e-09% change) linmin: converged after 4 iterations. iteration 1205: trace = 2.449292758734434 (4.50672e-10% change) large trace change predicted (1.46401e-09%) linmin: converged after 3 iterations. iteration 1206: trace = 2.449292758698573 (1.46414e-09% change) linmin: converged after 20 iterations. iteration 1207: trace = 2.449292758672931 (1.0469e-09% change) linmin: converged after 5 iterations. iteration 1208: trace = 2.449292758659811 (5.35672e-10% change) large trace change predicted (1.8051e-09%) linmin: converged after 4 iterations. iteration 1209: trace = 2.449292758615584 (1.80572e-09% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.449292758578577 (1.51092e-09% change) linmin: converged after 3 iterations. iteration 1211: trace = 2.449292758562544 (6.54613e-10% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.449292758539975 (9.21434e-10% change) linmin: converged after 9 iterations. iteration 1213: trace = 2.449292758509836 (1.23052e-09% change) linmin: converged after 4 iterations. iteration 1214: trace = 2.449292758496518 (5.43758e-10% change) large trace change predicted (1.43e-09%) linmin: converged after 19 iterations. iteration 1215: trace = 2.449292758461497 (1.42985e-09% change) linmin: converged after 2 iterations. iteration 1216: trace = 2.449292758430115 (1.28123e-09% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.449292758407654 (9.17064e-10% change) linmin: converged after 12 iterations. iteration 1218: trace = 2.449292758400862 (2.773e-10% change) large trace change predicted (7.07646e-10%) linmin: converged after 14 iterations. iteration 1219: trace = 2.449292758383526 (7.07811e-10% change) linmin: converged after 7 iterations. iteration 1220: trace = 2.449292758371622 (4.85992e-10% change) linmin: converged after 15 iterations. iteration 1221: trace = 2.449292758365863 (2.35127e-10% change) linmin: converged after 7 iterations. iteration 1222: trace = 2.449292758355705 (4.14736e-10% change) large trace change predicted (8.94645e-10%) linmin: converged after 7 iterations. iteration 1223: trace = 2.449292758333799 (8.944e-10% change) linmin: converged after 4 iterations. iteration 1224: trace = 2.449292758328047 (2.34819e-10% change) large trace change predicted (1.15853e-09%) linmin: converged after 4 iterations. iteration 1225: trace = 2.449292758299672 (1.1585e-09% change) linmin: converged after 6 iterations. iteration 1226: trace = 2.449292758276 (9.6649e-10% change) linmin: converged after 3 iterations. iteration 1227: trace = 2.449292758261559 (5.89613e-10% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.449292758244133 (7.11473e-10% change) linmin: converged after 9 iterations. iteration 1229: trace = 2.44929275822446 (8.032e-10% change) linmin: converged after 6 iterations. iteration 1230: trace = 2.449292758203113 (8.71536e-10% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.449292758196083 (2.87019e-10% change) large trace change predicted (7.16027e-10%) linmin: converged after 2 iterations. iteration 1232: trace = 2.449292758178548 (7.15952e-10% change) linmin: converged after 4 iterations. iteration 1233: trace = 2.449292758161216 (7.07611e-10% change) linmin: converged after 12 iterations. iteration 1234: trace = 2.449292758156217 (2.04122e-10% change) large trace change predicted (1.09127e-09%) linmin: converged after 4 iterations. iteration 1235: trace = 2.4492927581295 (1.0908e-09% change) linmin: converged after 15 iterations. iteration 1236: trace = 2.449292758121641 (3.20852e-10% change) linmin: converged after 8 iterations. iteration 1237: trace = 2.44929275811068 (4.47535e-10% change) linmin: converged after 4 iterations. iteration 1238: trace = 2.449292758099539 (4.54861e-10% change) linmin: converged after 4 iterations. iteration 1239: trace = 2.449292758090224 (3.80323e-10% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.449292758085973 (1.73535e-10% change) large trace change predicted (6.28043e-10%) linmin: converged after 3 iterations. iteration 1241: trace = 2.449292758070583 (6.28377e-10% change) linmin: converged after 3 iterations. iteration 1242: trace = 2.449292758061384 (3.75572e-10% change) linmin: converged after 4 iterations. iteration 1243: trace = 2.449292758053819 (3.08867e-10% change) large trace change predicted (6.64039e-10%) linmin: converged after 13 iterations. iteration 1244: trace = 2.449292758037557 (6.63915e-10% change) linmin: converged after 3 iterations. iteration 1245: trace = 2.449292758021907 (6.38984e-10% change) linmin: converged after 9 iterations. iteration 1246: trace = 2.449292758016809 (2.08148e-10% change) large trace change predicted (8.29566e-10%) linmin: converged after 20 iterations. iteration 1247: trace = 2.449292757996488 (8.29635e-10% change) linmin: converged after 6 iterations. iteration 1248: trace = 2.449292757980615 (6.48068e-10% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.449292757975114 (2.24593e-10% change) large trace change predicted (4.63414e-10%) linmin: converged after 3 iterations. iteration 1250: trace = 2.449292757963765 (4.63382e-10% change) linmin: converged after 3 iterations. iteration 1251: trace = 2.449292757946643 (6.99071e-10% change) linmin: converged after 9 iterations. iteration 1252: trace = 2.449292757938912 (3.15612e-10% change) linmin: converged after 6 iterations. iteration 1253: trace = 2.449292757929192 (3.96858e-10% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.449292757915849 (5.44756e-10% change) linmin: converged after 3 iterations. iteration 1255: trace = 2.44929275790202 (5.64646e-10% change) linmin: converged after 14 iterations. iteration 1256: trace = 2.449292757899889 (8.6976e-11% change) Finished solving for bands 1 to 10 after 1256 iterations. tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689 elapsed time for k point: 10.546871662139893 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.515861282295907 (3.43116% change) linmin: converged after 4 iterations. iteration 2: trace = 2.507854158557765 (0.318773% change) linmin: converged after 4 iterations. iteration 3: trace = 2.499310810787176 (0.341245% change) linmin: converged after 4 iterations. iteration 4: trace = 2.498172896819808 (0.0455395% change) large trace change predicted (0.100542%) linmin: converged after 4 iterations. iteration 5: trace = 2.495678808586637 (0.0998864% change) linmin: converged after 4 iterations. iteration 6: trace = 2.495170541910658 (0.0203679% change) linmin: converged after 4 iterations. iteration 7: trace = 2.494660849825565 (0.0204292% change) linmin: converged after 4 iterations. iteration 8: trace = 2.494389989065191 (0.0108582% change) linmin: converged after 3 iterations. iteration 9: trace = 2.49424031789044 (0.00600049% change) linmin: converged after 4 iterations. iteration 10: trace = 2.494053119375062 (0.00750551% change) linmin: converged after 4 iterations. iteration 11: trace = 2.494006769338019 (0.00185844% change) large trace change predicted (0.00615564%) linmin: converged after 4 iterations. iteration 12: trace = 2.493853877784837 (0.00613055% change) linmin: converged after 3 iterations. iteration 13: trace = 2.493809312194493 (0.00178703% change) large trace change predicted (0.00364815%) linmin: converged after 4 iterations. iteration 14: trace = 2.493718771889427 (0.00363067% change) linmin: converged after 4 iterations. iteration 15: trace = 2.493653536138433 (0.00261604% change) linmin: converged after 4 iterations. iteration 16: trace = 2.493597422138092 (0.0022503% change) large trace change predicted (0.00494512%) linmin: converged after 4 iterations. iteration 17: trace = 2.493474326430524 (0.00493659% change) linmin: converged after 4 iterations. iteration 18: trace = 2.493424155675116 (0.0020121% change) large trace change predicted (0.00492516%) linmin: converged after 4 iterations. iteration 19: trace = 2.493301749789208 (0.00490927% change) linmin: converged after 4 iterations. iteration 20: trace = 2.4932438532079 (0.00232211% change) large trace change predicted (0.00472088%) linmin: converged after 4 iterations. iteration 21: trace = 2.493126516272597 (0.00470631% change) linmin: converged after 4 iterations. iteration 22: trace = 2.493032139438212 (0.00378555% change) linmin: converged after 4 iterations. iteration 23: trace = 2.492931229724737 (0.00404775% change) linmin: converged after 4 iterations. iteration 24: trace = 2.49278518304044 (0.0058586% change) linmin: converged after 4 iterations. iteration 25: trace = 2.492694559740675 (0.00363549% change) linmin: converged after 17 iterations. iteration 26: trace = 2.492556551715377 (0.00553665% change) linmin: converged after 4 iterations. iteration 27: trace = 2.492504492963388 (0.00208859% change) large trace change predicted (0.00584593%) linmin: converged after 6 iterations. iteration 28: trace = 2.492359048235266 (0.00583545% change) linmin: converged after 4 iterations. iteration 29: trace = 2.492292310143891 (0.00267774% change) linmin: converged after 3 iterations. iteration 30: trace = 2.49220423763659 (0.00353386% change) linmin: converged after 4 iterations. iteration 31: trace = 2.492122038808602 (0.00329829% change) linmin: converged after 3 iterations. iteration 32: trace = 2.492088459826676 (0.00134741% change) large trace change predicted (0.00374958%) linmin: converged after 9 iterations. iteration 33: trace = 2.491995115671979 (0.00374569% change) linmin: converged after 3 iterations. iteration 34: trace = 2.49197302696545 (0.00088639% change) large trace change predicted (0.00384146%) linmin: converged after 6 iterations. iteration 35: trace = 2.491877397292373 (0.00383758% change) linmin: converged after 7 iterations. iteration 36: trace = 2.491799684776144 (0.00311868% change) linmin: converged after 4 iterations. iteration 37: trace = 2.491716618910476 (0.00333362% change) large trace change predicted (0.00753755%) linmin: converged after 6 iterations. iteration 38: trace = 2.491529123150958 (0.00752505% change) linmin: converged after 3 iterations. iteration 39: trace = 2.491464407954583 (0.00259744% change) large trace change predicted (0.00785134%) linmin: converged after 4 iterations. iteration 40: trace = 2.491269210816609 (0.00783494% change) linmin: converged after 3 iterations. iteration 41: trace = 2.491195483039992 (0.00295949% change) linmin: converged after 4 iterations. iteration 42: trace = 2.491085228402836 (0.00442587% change) linmin: converged after 3 iterations. iteration 43: trace = 2.491014733898304 (0.00282991% change) linmin: converged after 4 iterations. iteration 44: trace = 2.49096938109741 (0.00182067% change) large trace change predicted (0.00538733%) linmin: converged after 3 iterations. iteration 45: trace = 2.49083487831414 (0.00539976% change) linmin: converged after 11 iterations. iteration 46: trace = 2.490789473031338 (0.00182291% change) large trace change predicted (0.0100848%) linmin: converged after 3 iterations. iteration 47: trace = 2.490536447013226 (0.010159% change) linmin: converged after 4 iterations. iteration 48: trace = 2.490423729185779 (0.00452595% change) linmin: converged after 3 iterations. iteration 49: trace = 2.490250059019444 (0.00697376% change) linmin: converged after 3 iterations. iteration 50: trace = 2.490020787971507 (0.00920717% change) linmin: converged after 3 iterations. iteration 51: trace = 2.48994903099957 (0.00288182% change) large trace change predicted (0.00946139%) linmin: converged after 3 iterations. iteration 52: trace = 2.489711162739711 (0.00955359% change) linmin: converged after 3 iterations. iteration 53: trace = 2.489658473681335 (0.00211629% change) large trace change predicted (0.00434367%) linmin: converged after 3 iterations. iteration 54: trace = 2.489549877108953 (0.004362% change) linmin: converged after 4 iterations. iteration 55: trace = 2.489470614706369 (0.00318386% change) linmin: converged after 3 iterations. iteration 56: trace = 2.489407058967494 (0.00255301% change) linmin: converged after 3 iterations. iteration 57: trace = 2.48931509135577 (0.00369443% change) linmin: converged after 3 iterations. iteration 58: trace = 2.489272593598083 (0.00170722% change) large trace change predicted (0.0035832%) linmin: converged after 3 iterations. iteration 59: trace = 2.489183254006914 (0.00358905% change) linmin: converged after 3 iterations. iteration 60: trace = 2.489147377124525 (0.00144132% change) large trace change predicted (0.00337204%) linmin: converged after 4 iterations. iteration 61: trace = 2.489063365947722 (0.00337516% change) linmin: converged after 5 iterations. iteration 62: trace = 2.489014190975116 (0.00197566% change) linmin: converged after 4 iterations. iteration 63: trace = 2.488950715482929 (0.00255026% change) linmin: converged after 4 iterations. iteration 64: trace = 2.488865294803781 (0.00343205% change) linmin: converged after 5 iterations. iteration 65: trace = 2.488828943610771 (0.00146056% change) linmin: converged after 3 iterations. iteration 66: trace = 2.488763904884916 (0.00261326% change) linmin: converged after 3 iterations. iteration 67: trace = 2.488735810526342 (0.00112885% change) large trace change predicted (0.00312848%) linmin: converged after 6 iterations. iteration 68: trace = 2.48865800111508 (0.00312651% change) linmin: converged after 3 iterations. iteration 69: trace = 2.488603317682105 (0.00219733% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 2.488574474557392 (0.00115902% change) large trace change predicted (0.00249024%) linmin: converged after 3 iterations. iteration 71: trace = 2.488512534589992 (0.002489% change) linmin: converged after 7 iterations. iteration 72: trace = 2.488484799851445 (0.00111452% change) linmin: converged after 3 iterations. iteration 73: trace = 2.488451506537923 (0.0013379% change) large trace change predicted (0.0031914%) linmin: converged after 5 iterations. iteration 74: trace = 2.488372321747332 (0.00318214% change) linmin: converged after 3 iterations. iteration 75: trace = 2.488356731049004 (0.000626544% change) large trace change predicted (0.00189925%) linmin: converged after 5 iterations. iteration 76: trace = 2.488309524135499 (0.00189713% change) linmin: converged after 4 iterations. iteration 77: trace = 2.488271458079891 (0.00152981% change) linmin: converged after 4 iterations. iteration 78: trace = 2.488258000294219 (0.00054085% change) large trace change predicted (0.00171372%) linmin: converged after 4 iterations. iteration 79: trace = 2.48821544026547 (0.00171045% change) linmin: converged after 4 iterations. iteration 80: trace = 2.488166258686811 (0.0019766% change) linmin: converged after 12 iterations. iteration 81: trace = 2.488145059919184 (0.000851987% change) linmin: converged after 15 iterations. iteration 82: trace = 2.488106089528181 (0.00156625% change) linmin: converged after 4 iterations. iteration 83: trace = 2.488066336337749 (0.00159774% change) linmin: converged after 5 iterations. iteration 84: trace = 2.488048633590177 (0.000711509% change) large trace change predicted (0.00194513%) linmin: converged after 4 iterations. iteration 85: trace = 2.488000386622425 (0.00193917% change) linmin: converged after 5 iterations. iteration 86: trace = 2.487937929549748 (0.00251036% change) linmin: converged after 5 iterations. iteration 87: trace = 2.487919640950813 (0.000735093% change) large trace change predicted (0.00295702%) linmin: converged after 3 iterations. iteration 88: trace = 2.487846115004988 (0.00295536% change) linmin: converged after 4 iterations. iteration 89: trace = 2.487797886704479 (0.00193858% change) linmin: converged after 3 iterations. iteration 90: trace = 2.487776306549805 (0.000867444% change) large trace change predicted (0.00214995%) linmin: converged after 3 iterations. iteration 91: trace = 2.487722836395236 (0.00214934% change) linmin: converged after 3 iterations. iteration 92: trace = 2.487710813896149 (0.000483274% change) large trace change predicted (0.00124375%) linmin: converged after 5 iterations. iteration 93: trace = 2.487679883120304 (0.00124335% change) linmin: converged after 3 iterations. iteration 94: trace = 2.487653043297854 (0.00107892% change) linmin: converged after 3 iterations. iteration 95: trace = 2.487630501282141 (0.00090616% change) linmin: converged after 4 iterations. iteration 96: trace = 2.487599175459664 (0.00125927% change) linmin: converged after 3 iterations. iteration 97: trace = 2.487540228048141 (0.00236968% change) linmin: converged after 12 iterations. iteration 98: trace = 2.487521640120572 (0.000747244% change) linmin: converged after 4 iterations. iteration 99: trace = 2.487493683707828 (0.00112387% change) linmin: converged after 5 iterations. iteration 100: trace = 2.487462269535424 (0.00126289% change) linmin: converged after 3 iterations. iteration 101: trace = 2.48745536423858 (0.000277604% change) large trace change predicted (0.000931403%) linmin: converged after 5 iterations. iteration 102: trace = 2.487432233641114 (0.000929894% change) linmin: converged after 3 iterations. iteration 103: trace = 2.487405032651327 (0.00109354% change) linmin: converged after 3 iterations. iteration 104: trace = 2.487396818139055 (0.000330245% change) large trace change predicted (0.00148261%) linmin: converged after 3 iterations. iteration 105: trace = 2.487359848334163 (0.0014863% change) linmin: converged after 3 iterations. iteration 106: trace = 2.487331078568984 (0.00115665% change) linmin: converged after 5 iterations. iteration 107: trace = 2.487319494981296 (0.000465705% change) large trace change predicted (0.00232136%) linmin: converged after 6 iterations. iteration 108: trace = 2.48726164881472 (0.00232567% change) linmin: converged after 3 iterations. iteration 109: trace = 2.487237092826722 (0.000987275% change) linmin: converged after 3 iterations. iteration 110: trace = 2.487206680585687 (0.00122274% change) linmin: converged after 4 iterations. iteration 111: trace = 2.487173038603066 (0.00135261% change) linmin: converged after 3 iterations. iteration 112: trace = 2.487160558799443 (0.000501768% change) linmin: converged after 3 iterations. iteration 113: trace = 2.487141960392464 (0.000747779% change) linmin: converged after 5 iterations. iteration 114: trace = 2.487111565453936 (0.00122209% change) linmin: converged after 6 iterations. iteration 115: trace = 2.487101729536141 (0.000395476% change) large trace change predicted (0.000795578%) linmin: converged after 3 iterations. iteration 116: trace = 2.487081948065852 (0.000795365% change) linmin: converged after 3 iterations. iteration 117: trace = 2.4870636905194 (0.000734098% change) linmin: converged after 3 iterations. iteration 118: trace = 2.487055266003158 (0.000338734% change) large trace change predicted (0.00104506%) linmin: converged after 3 iterations. iteration 119: trace = 2.487029266684226 (0.00104539% change) linmin: converged after 4 iterations. iteration 120: trace = 2.487007971865747 (0.000856239% change) linmin: converged after 4 iterations. iteration 121: trace = 2.487000144833851 (0.000314717% change) large trace change predicted (0.00098169%) linmin: converged after 5 iterations. iteration 122: trace = 2.486975730154866 (0.000981697% change) linmin: converged after 3 iterations. iteration 123: trace = 2.486952827646625 (0.000920902% change) linmin: converged after 3 iterations. iteration 124: trace = 2.486940045383895 (0.000513974% change) large trace change predicted (0.00230676%) linmin: converged after 4 iterations. iteration 125: trace = 2.486882730702087 (0.00230465% change) linmin: converged after 3 iterations. iteration 126: trace = 2.486843220613449 (0.00158875% change) linmin: converged after 4 iterations. iteration 127: trace = 2.486783792724833 (0.00238972% change) linmin: converged after 4 iterations. iteration 128: trace = 2.486698791892305 (0.00341816% change) linmin: converged after 3 iterations. iteration 129: trace = 2.486661286309805 (0.00150826% change) linmin: converged after 7 iterations. iteration 130: trace = 2.486623172913379 (0.00153273% change) linmin: converged after 3 iterations. iteration 131: trace = 2.486591355088738 (0.00127957% change) linmin: converged after 3 iterations. iteration 132: trace = 2.486581495915449 (0.000396494% change) large trace change predicted (0.000963697%) linmin: converged after 4 iterations. iteration 133: trace = 2.486557524018012 (0.000964055% change) linmin: converged after 3 iterations. iteration 134: trace = 2.486535868448634 (0.000870909% change) linmin: converged after 3 iterations. iteration 135: trace = 2.486525734145124 (0.000407568% change) large trace change predicted (0.00132869%) linmin: converged after 3 iterations. iteration 136: trace = 2.486492672114544 (0.00132966% change) linmin: converged after 3 iterations. iteration 137: trace = 2.4864684568555 (0.000973877% change) linmin: converged after 3 iterations. iteration 138: trace = 2.486461344064414 (0.00028606% change) large trace change predicted (0.000628476%) linmin: converged after 3 iterations. iteration 139: trace = 2.486445718478366 (0.000628429% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.486440316002184 (0.000217277% change) linmin: converged after 3 iterations. iteration 141: trace = 2.486436897949191 (0.000137468% change) large trace change predicted (0.000494266%) linmin: converged after 6 iterations. iteration 142: trace = 2.486424619473493 (0.000493819% change) linmin: converged after 5 iterations. iteration 143: trace = 2.486421621317892 (0.000120581% change) large trace change predicted (0.000520131%) linmin: converged after 15 iterations. iteration 144: trace = 2.486408705250284 (0.000519465% change) linmin: converged after 6 iterations. iteration 145: trace = 2.486391995234417 (0.000672057% change) linmin: converged after 3 iterations. iteration 146: trace = 2.486387492495172 (0.000181095% change) large trace change predicted (0.000450639%) linmin: converged after 3 iterations. iteration 147: trace = 2.486376285763708 (0.000450724% change) linmin: converged after 4 iterations. iteration 148: trace = 2.486363602493589 (0.000510112% change) linmin: converged after 3 iterations. iteration 149: trace = 2.486359943403615 (0.000147166% change) large trace change predicted (0.000895146%) linmin: converged after 5 iterations. iteration 150: trace = 2.486337672880415 (0.000895712% change) linmin: converged after 3 iterations. iteration 151: trace = 2.486322372652038 (0.000615374% change) linmin: converged after 3 iterations. iteration 152: trace = 2.486310286550961 (0.000486105% change) linmin: converged after 4 iterations. iteration 153: trace = 2.486288351519972 (0.000882236% change) linmin: converged after 3 iterations. iteration 154: trace = 2.486270461204038 (0.000719562% change) linmin: converged after 3 iterations. iteration 155: trace = 2.486265078233208 (0.000216508% change) large trace change predicted (0.000473784%) linmin: converged after 3 iterations. iteration 156: trace = 2.486253288137071 (0.00047421% change) linmin: converged after 3 iterations. iteration 157: trace = 2.486244471224024 (0.000354627% change) linmin: converged after 3 iterations. iteration 158: trace = 2.486241791578302 (0.000107779% change) large trace change predicted (0.000397653%) linmin: converged after 3 iterations. iteration 159: trace = 2.486231901543722 (0.000397791% change) linmin: converged after 3 iterations. iteration 160: trace = 2.486229388624313 (0.000101073% change) large trace change predicted (0.000218116%) linmin: converged after 3 iterations. iteration 161: trace = 2.486223965460543 (0.000218128% change) linmin: converged after 3 iterations. iteration 162: trace = 2.486219141454832 (0.00019403% change) linmin: converged after 3 iterations. iteration 163: trace = 2.486216681749386 (9.89336e-05% change) large trace change predicted (0.000284402%) linmin: converged after 6 iterations. iteration 164: trace = 2.486209618362964 (0.000284102% change) linmin: converged after 23 iterations. iteration 165: trace = 2.486198883418821 (0.00043178% change) linmin: converged after 19 iterations. iteration 166: trace = 2.486195868179986 (0.000121279% change) large trace change predicted (0.000255398%) linmin: converged after 4 iterations. iteration 167: trace = 2.486189521272439 (0.000255286% change) linmin: converged after 4 iterations. iteration 168: trace = 2.486181623261373 (0.000317676% change) linmin: converged after 3 iterations. iteration 169: trace = 2.486178527728146 (0.00012451% change) linmin: converged after 4 iterations. iteration 170: trace = 2.486172932683418 (0.000225046% change) linmin: converged after 4 iterations. iteration 171: trace = 2.486164266855635 (0.000348562% change) linmin: converged after 4 iterations. iteration 172: trace = 2.486160649663025 (0.000145493% change) large trace change predicted (0.000303333%) linmin: converged after 3 iterations. iteration 173: trace = 2.486153110623879 (0.000303241% change) linmin: converged after 4 iterations. iteration 174: trace = 2.486145958516302 (0.000287678% change) linmin: converged after 7 iterations. iteration 175: trace = 2.486143253537672 (0.000108802% change) large trace change predicted (0.000275365%) linmin: converged after 3 iterations. iteration 176: trace = 2.486136409821238 (0.000275275% change) linmin: converged after 4 iterations. iteration 177: trace = 2.48613149952664 (0.000197507% change) linmin: converged after 5 iterations. iteration 178: trace = 2.486129092153331 (9.68321e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.48612481206577 (0.000172159% change) linmin: converged after 4 iterations. iteration 180: trace = 2.486122211310087 (0.000104611% change) linmin: converged after 3 iterations. iteration 181: trace = 2.486119066555182 (0.000126492% change) large trace change predicted (0.000341478%) linmin: converged after 4 iterations. iteration 182: trace = 2.486110582934301 (0.00034124% change) linmin: converged after 3 iterations. iteration 183: trace = 2.486105934249012 (0.000186986% change) linmin: converged after 4 iterations. iteration 184: trace = 2.486103648652534 (9.19348e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.486099630498395 (0.000161625% change) linmin: converged after 3 iterations. iteration 186: trace = 2.486095589937971 (0.000162526% change) linmin: converged after 3 iterations. iteration 187: trace = 2.486093695745089 (7.61915e-05% change) large trace change predicted (0.000189711%) linmin: converged after 5 iterations. iteration 188: trace = 2.486088979197969 (0.000189717% change) linmin: converged after 3 iterations. iteration 189: trace = 2.486086845441113 (8.58279e-05% change) large trace change predicted (0.000210963%) linmin: converged after 3 iterations. iteration 190: trace = 2.486081598975246 (0.000211033% change) linmin: converged after 3 iterations. iteration 191: trace = 2.486075445989276 (0.000247498% change) linmin: converged after 3 iterations. iteration 192: trace = 2.486072784963713 (0.000107037% change) linmin: converged after 3 iterations. iteration 193: trace = 2.486067978207759 (0.000193348% change) linmin: converged after 3 iterations. iteration 194: trace = 2.486062669328761 (0.000213545% change) linmin: converged after 3 iterations. iteration 195: trace = 2.486061490394072 (4.74218e-05% change) large trace change predicted (0.000140042%) linmin: converged after 4 iterations. iteration 196: trace = 2.486058007016652 (0.000140116% change) linmin: converged after 3 iterations. iteration 197: trace = 2.486054811393256 (0.000128542% change) linmin: converged after 5 iterations. iteration 198: trace = 2.486053727921057 (4.3582e-05% change) large trace change predicted (9.18039e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.486051444543701 (9.18475e-05% change) linmin: converged after 4 iterations. iteration 200: trace = 2.48604871018823 (0.000109988% change) linmin: converged after 4 iterations. iteration 201: trace = 2.486047081327871 (6.55201e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.486045468864992 (6.48605e-05% change) large trace change predicted (0.000223438%) linmin: converged after 4 iterations. iteration 203: trace = 2.486039910217959 (0.000223594% change) linmin: converged after 2 iterations. iteration 204: trace = 2.486038922013825 (3.97501e-05% change) large trace change predicted (0.000199919%) linmin: converged after 3 iterations. iteration 205: trace = 2.486033950211503 (0.000199989% change) linmin: converged after 3 iterations. iteration 206: trace = 2.486031306054993 (0.00010636% change) linmin: converged after 4 iterations. iteration 207: trace = 2.486030231168287 (4.32371e-05% change) large trace change predicted (8.93124e-05%) linmin: converged after 4 iterations. iteration 208: trace = 2.486028011030611 (8.93046e-05% change) large trace change predicted (0.000184494%) linmin: converged after 6 iterations. iteration 209: trace = 2.486023428236718 (0.000184342% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.48602202168585 (5.65784e-05% change) linmin: converged after 12 iterations. iteration 211: trace = 2.486020018723904 (8.0569e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.486018320754877 (6.83007e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.486017457263136 (3.47339e-05% change) large trace change predicted (7.40508e-05%) linmin: converged after 4 iterations. iteration 214: trace = 2.486015616836127 (7.40312e-05% change) linmin: converged after 10 iterations. iteration 215: trace = 2.486012916941027 (0.000108603% change) linmin: converged after 3 iterations. iteration 216: trace = 2.486012291214537 (2.51699e-05% change) large trace change predicted (8.39124e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.486010206453553 (8.38597e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.486008460770565 (7.02203e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.486007789783964 (2.69905e-05% change) large trace change predicted (8.16819e-05%) linmin: converged after 5 iterations. iteration 220: trace = 2.486005760354276 (8.16341e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.486005045497719 (2.87552e-05% change) large trace change predicted (6.61263e-05%) linmin: converged after 9 iterations. iteration 222: trace = 2.486003402161579 (6.61035e-05% change) linmin: converged after 5 iterations. iteration 223: trace = 2.486001996233311 (5.65538e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.486000042584344 (7.8586e-05% change) linmin: converged after 5 iterations. iteration 225: trace = 2.485999119309783 (3.7139e-05% change) large trace change predicted (0.000140858%) linmin: converged after 10 iterations. iteration 226: trace = 2.485995618704608 (0.000140813% change) linmin: converged after 3 iterations. iteration 227: trace = 2.485994100233929 (6.1081e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.485991521445129 (0.000103733% change) linmin: converged after 3 iterations. iteration 229: trace = 2.485988403934094 (0.000125403% change) linmin: converged after 3 iterations. iteration 230: trace = 2.485987503584906 (3.6217e-05% change) large trace change predicted (0.000111695%) linmin: converged after 5 iterations. iteration 231: trace = 2.485984727381403 (0.000111674% change) linmin: converged after 5 iterations. iteration 232: trace = 2.485982326403656 (9.65806e-05% change) linmin: converged after 5 iterations. iteration 233: trace = 2.485981651611549 (2.71439e-05% change) large trace change predicted (6.92219e-05%) linmin: converged after 3 iterations. iteration 234: trace = 2.485979930570006 (6.92299e-05% change) linmin: converged after 5 iterations. iteration 235: trace = 2.485977905199617 (8.14717e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.48597730380663 (2.41914e-05% change) large trace change predicted (8.42799e-05%) linmin: converged after 4 iterations. iteration 237: trace = 2.485975208536899 (8.42836e-05% change) linmin: converged after 4 iterations. iteration 238: trace = 2.485972481099969 (0.000109713% change) linmin: converged after 5 iterations. iteration 239: trace = 2.485971839214122 (2.58203e-05% change) large trace change predicted (5.6214e-05%) linmin: converged after 3 iterations. iteration 240: trace = 2.485970441700708 (5.6216e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.485968844084179 (6.42653e-05% change) linmin: converged after 3 iterations. iteration 242: trace = 2.485968424802206 (1.68659e-05% change) large trace change predicted (6.98542e-05%) linmin: converged after 4 iterations. iteration 243: trace = 2.485966688376817 (6.98491e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.485965446971699 (4.99365e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.485964604852616 (3.38749e-05% change) large trace change predicted (0.000103126%) linmin: converged after 3 iterations. iteration 246: trace = 2.485962041276639 (0.000103122% change) linmin: converged after 6 iterations. iteration 247: trace = 2.485960303402692 (6.99075e-05% change) linmin: converged after 5 iterations. iteration 248: trace = 2.485957665169964 (0.000106125% change) linmin: converged after 3 iterations. iteration 249: trace = 2.485954723603623 (0.000118327% change) linmin: converged after 3 iterations. iteration 250: trace = 2.485954009590688 (2.87219e-05% change) linmin: converged after 5 iterations. iteration 251: trace = 2.485952659138304 (5.43233e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.485950347235431 (9.29987e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.485949172321636 (4.72622e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.485947577225308 (6.41645e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.485945662020343 (7.70413e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.485944562755226 (4.42192e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.485943623257654 (3.77924e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.485942113115575 (6.07473e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.485941692883185 (1.69044e-05% change) large trace change predicted (5.55981e-05%) linmin: converged after 3 iterations. iteration 260: trace = 2.485940310662413 (5.56015e-05% change) linmin: converged after 4 iterations. iteration 261: trace = 2.485938556977435 (7.05442e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.485938117284358 (1.76872e-05% change) large trace change predicted (5.47196e-05%) linmin: converged after 4 iterations. iteration 263: trace = 2.485936757504735 (5.46989e-05% change) linmin: converged after 4 iterations. iteration 264: trace = 2.485934872111849 (7.58424e-05% change) linmin: converged after 2 iterations. iteration 265: trace = 2.485934342667958 (2.12976e-05% change) large trace change predicted (0.000115978%) linmin: converged after 20 iterations. iteration 266: trace = 2.485931462012558 (0.000115878% change) linmin: converged after 4 iterations. iteration 267: trace = 2.485929664190849 (7.23199e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.48592863729641 (4.13083e-05% change) large trace change predicted (9.58579e-05%) linmin: converged after 7 iterations. iteration 269: trace = 2.485926255828979 (9.57979e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.485924124492907 (8.57361e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.485923745827829 (1.52324e-05% change) large trace change predicted (7.43766e-05%) linmin: converged after 3 iterations. iteration 272: trace = 2.485921896978573 (7.43728e-05% change) linmin: converged after 5 iterations. iteration 273: trace = 2.485921078711772 (3.2916e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.48592048381861 (2.39305e-05% change) large trace change predicted (7.98036e-05%) linmin: converged after 4 iterations. iteration 275: trace = 2.485918499997581 (7.98023e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.485917726900054 (3.10991e-05% change) linmin: converged after 4 iterations. iteration 277: trace = 2.485916798874416 (3.73313e-05% change) linmin: converged after 3 iterations. iteration 278: trace = 2.485915841890903 (3.84962e-05% change) linmin: converged after 4 iterations. iteration 279: trace = 2.485915428001314 (1.66494e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.485915156796766 (1.09096e-05% change) large trace change predicted (2.45237e-05%) linmin: converged after 4 iterations. iteration 281: trace = 2.485914547198413 (2.45221e-05% change) linmin: converged after 2 iterations. iteration 282: trace = 2.48591397024841 (2.32088e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.485913416994713 (2.22555e-05% change) linmin: converged after 4 iterations. iteration 284: trace = 2.485912346741366 (4.30527e-05% change) linmin: converged after 4 iterations. iteration 285: trace = 2.485911911775135 (1.74972e-05% change) large trace change predicted (3.78617e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.485910970666737 (3.78577e-05% change) linmin: converged after 3 iterations. iteration 287: trace = 2.485909928737816 (4.19134e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.485909652038214 (1.11307e-05% change) large trace change predicted (3.44923e-05%) linmin: converged after 4 iterations. iteration 289: trace = 2.485908794542906 (3.44942e-05% change) linmin: converged after 3 iterations. iteration 290: trace = 2.485907580723941 (4.8828e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.485907230171407 (1.41016e-05% change) large trace change predicted (7.80145e-05%) linmin: converged after 5 iterations. iteration 292: trace = 2.485905288868155 (7.80924e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.485904457413371 (3.34468e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.485903618487427 (3.37473e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.485902688182957 (3.74232e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.485901918355574 (3.09677e-05% change) linmin: converged after 3 iterations. iteration 297: trace = 2.485901734629439 (7.39072e-06% change) large trace change predicted (3.39546e-05%) linmin: converged after 3 iterations. iteration 298: trace = 2.485900890495897 (3.39568e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.48590041018798 (1.93213e-05% change) linmin: converged after 4 iterations. iteration 300: trace = 2.485900180711757 (9.23111e-06% change) large trace change predicted (2.9496e-05%) linmin: converged after 3 iterations. iteration 301: trace = 2.485899447482988 (2.94955e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.485899135824026 (1.25371e-05% change) large trace change predicted (2.62525e-05%) linmin: converged after 3 iterations. iteration 303: trace = 2.485898483180081 (2.62538e-05% change) linmin: converged after 3 iterations. iteration 304: trace = 2.485897748158209 (2.95677e-05% change) linmin: converged after 13 iterations. iteration 305: trace = 2.485897472633001 (1.10835e-05% change) large trace change predicted (2.76783e-05%) linmin: converged after 4 iterations. iteration 306: trace = 2.485896784643212 (2.76757e-05% change) linmin: converged after 3 iterations. iteration 307: trace = 2.485896208114291 (2.3192e-05% change) linmin: converged after 16 iterations. iteration 308: trace = 2.485895611119694 (2.40153e-05% change) linmin: converged after 2 iterations. iteration 309: trace = 2.485895272828215 (1.36084e-05% change) large trace change predicted (2.81279e-05%) linmin: converged after 3 iterations. iteration 310: trace = 2.485894573694849 (2.8124e-05% change) linmin: converged after 3 iterations. iteration 311: trace = 2.485894358226965 (8.66762e-06% change) large trace change predicted (2.39788e-05%) linmin: converged after 5 iterations. iteration 312: trace = 2.485893762301133 (2.39723e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.485893047776924 (2.87432e-05% change) linmin: converged after 3 iterations. iteration 314: trace = 2.485892908701802 (5.59457e-06% change) large trace change predicted (2.65519e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.485892248902879 (2.65417e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.485891877518642 (1.49397e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.485891750872335 (5.0946e-06% change) large trace change predicted (1.6811e-05%) linmin: converged after 3 iterations. iteration 318: trace = 2.485891333048813 (1.68078e-05% change) linmin: converged after 5 iterations. iteration 319: trace = 2.485890959707071 (1.50184e-05% change) linmin: converged after 19 iterations. iteration 320: trace = 2.485890817568823 (5.7178e-06% change) large trace change predicted (2.65065e-05%) linmin: converged after 16 iterations. iteration 321: trace = 2.485890158826757 (2.64992e-05% change) linmin: converged after 4 iterations. iteration 322: trace = 2.485889705876483 (1.82208e-05% change) linmin: converged after 3 iterations. iteration 323: trace = 2.485889538126151 (6.7481e-06% change) large trace change predicted (1.95807e-05%) linmin: converged after 4 iterations. iteration 324: trace = 2.485889051509746 (1.95751e-05% change) linmin: converged after 2 iterations. iteration 325: trace = 2.485888757339809 (1.18336e-05% change) linmin: converged after 4 iterations. iteration 326: trace = 2.485888545542125 (8.52e-06% change) large trace change predicted (1.97252e-05%) linmin: converged after 7 iterations. iteration 327: trace = 2.485888055232837 (1.97237e-05% change) linmin: converged after 2 iterations. iteration 328: trace = 2.485887788638825 (1.07243e-05% change) linmin: converged after 3 iterations. iteration 329: trace = 2.485887463090222 (1.30959e-05% change) large trace change predicted (2.65074e-05%) linmin: converged after 3 iterations. iteration 330: trace = 2.485886804123782 (2.65083e-05% change) linmin: converged after 5 iterations. iteration 331: trace = 2.485886494136767 (1.24699e-05% change) linmin: converged after 3 iterations. iteration 332: trace = 2.48588596819191 (2.11572e-05% change) linmin: converged after 3 iterations. iteration 333: trace = 2.485885515568653 (1.82077e-05% change) linmin: converged after 2 iterations. iteration 334: trace = 2.485885362111051 (6.17316e-06% change) linmin: converged after 2 iterations. iteration 335: trace = 2.485885210707106 (6.09054e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.485884945045744 (1.06868e-05% change) linmin: converged after 4 iterations. iteration 337: trace = 2.485884877394166 (2.72143e-06% change) large trace change predicted (8.92198e-06%) linmin: converged after 4 iterations. iteration 338: trace = 2.485884655577982 (8.92303e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.485884475797544 (7.23205e-06% change) linmin: converged after 4 iterations. iteration 340: trace = 2.485884400738471 (3.01941e-06% change) large trace change predicted (1.03345e-05%) linmin: converged after 3 iterations. iteration 341: trace = 2.485884143787008 (1.03364e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.485883765246077 (1.52276e-05% change) linmin: converged after 4 iterations. iteration 343: trace = 2.485883671025189 (3.79024e-06% change) large trace change predicted (1.2505e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.485883360095597 (1.25078e-05% change) linmin: converged after 4 iterations. iteration 345: trace = 2.485883118815805 (9.706e-06% change) linmin: converged after 6 iterations. iteration 346: trace = 2.485883019168665 (4.00852e-06% change) large trace change predicted (1.35496e-05%) linmin: converged after 5 iterations. iteration 347: trace = 2.485882682316431 (1.35506e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.485882555980481 (5.08214e-06% change) linmin: converged after 3 iterations. iteration 349: trace = 2.485882306930253 (1.00186e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.48588209723502 (8.43545e-06% change) linmin: converged after 3 iterations. iteration 351: trace = 2.48588200409695 (3.74668e-06% change) large trace change predicted (1.0543e-05%) linmin: converged after 3 iterations. iteration 352: trace = 2.485881742042807 (1.05417e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.485881636544489 (4.2439e-06% change) linmin: converged after 4 iterations. iteration 354: trace = 2.485881483251974 (6.16653e-06% change) linmin: converged after 5 iterations. iteration 355: trace = 2.485881204668219 (1.12066e-05% change) linmin: converged after 6 iterations. iteration 356: trace = 2.485881132200586 (2.91517e-06% change) large trace change predicted (7.88748e-06%) linmin: converged after 4 iterations. iteration 357: trace = 2.485880936172148 (7.88567e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.485880777292191 (6.39129e-06% change) linmin: converged after 3 iterations. iteration 359: trace = 2.485880700031593 (3.10798e-06% change) large trace change predicted (6.38219e-06%) linmin: converged after 14 iterations. iteration 360: trace = 2.485880541401155 (6.38126e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.485880354929694 (7.50122e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.485880294930855 (2.41359e-06% change) large trace change predicted (6.20151e-06%) linmin: converged after 6 iterations. iteration 363: trace = 2.485880140784376 (6.20088e-06% change) linmin: converged after 4 iterations. iteration 364: trace = 2.485879979101922 (6.50403e-06% change) linmin: converged after 4 iterations. iteration 365: trace = 2.485879919103026 (2.41359e-06% change) large trace change predicted (1.33255e-05%) linmin: converged after 8 iterations. iteration 366: trace = 2.485879587889342 (1.33238e-05% change) linmin: converged after 7 iterations. iteration 367: trace = 2.485879201432082 (1.55461e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.485879067998373 (5.36767e-06% change) large trace change predicted (1.37008e-05%) linmin: converged after 3 iterations. iteration 369: trace = 2.485878727406584 (1.37011e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.485878428101167 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 371: trace = 2.485878346726981 (3.27346e-06% change) large trace change predicted (1.08916e-05%) linmin: converged after 2 iterations. iteration 372: trace = 2.485878075971529 (1.08917e-05% change) linmin: converged after 2 iterations. iteration 373: trace = 2.485877928417474 (5.93569e-06% change) linmin: converged after 3 iterations. iteration 374: trace = 2.48587782103891 (4.31954e-06% change) large trace change predicted (8.99719e-06%) linmin: converged after 5 iterations. iteration 375: trace = 2.485877597367579 (8.99768e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.485877350423996 (9.93386e-06% change) linmin: converged after 4 iterations. iteration 377: trace = 2.485877285297414 (2.61986e-06% change) large trace change predicted (1.09292e-05%) linmin: converged after 3 iterations. iteration 378: trace = 2.485877013583101 (1.09303e-05% change) linmin: converged after 3 iterations. iteration 379: trace = 2.485876883662909 (5.22633e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.485876813353013 (2.82837e-06% change) linmin: converged after 2 iterations. iteration 381: trace = 2.48587669382159 (4.80842e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.485876488279835 (8.26838e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.485876440512067 (1.92157e-06% change) large trace change predicted (8.09195e-06%) linmin: converged after 3 iterations. iteration 384: trace = 2.485876239372412 (8.0913e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.485876027286559 (8.53163e-06% change) linmin: converged after 4 iterations. iteration 386: trace = 2.485875946859879 (3.23535e-06% change) large trace change predicted (1.41237e-05%) linmin: converged after 4 iterations. iteration 387: trace = 2.485875595742851 (1.41245e-05% change) linmin: converged after 4 iterations. iteration 388: trace = 2.485875514501315 (3.26813e-06% change) large trace change predicted (1.03704e-05%) linmin: converged after 7 iterations. iteration 389: trace = 2.485875256708515 (1.03703e-05% change) linmin: converged after 6 iterations. iteration 390: trace = 2.485875066155807 (7.66542e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.485874969091101 (3.90465e-06% change) linmin: converged after 17 iterations. iteration 392: trace = 2.485874801742324 (6.73199e-06% change) linmin: converged after 3 iterations. iteration 393: trace = 2.485874522054159 (1.12511e-05% change) linmin: converged after 3 iterations. iteration 394: trace = 2.485874392273183 (5.22074e-06% change) linmin: converged after 3 iterations. iteration 395: trace = 2.485874272914492 (4.80148e-06% change) linmin: converged after 5 iterations. iteration 396: trace = 2.485874066515826 (8.30286e-06% change) linmin: converged after 3 iterations. iteration 397: trace = 2.485873981502775 (3.41985e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.485873847026941 (5.4096e-06% change) linmin: converged after 3 iterations. iteration 399: trace = 2.485873656468925 (7.66564e-06% change) linmin: converged after 3 iterations. iteration 400: trace = 2.485873592123216 (2.58845e-06% change) large trace change predicted (5.24019e-06%) linmin: converged after 4 iterations. iteration 401: trace = 2.485873461876362 (5.23948e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.485873332707443 (5.19612e-06% change) linmin: converged after 3 iterations. iteration 403: trace = 2.485873263874981 (2.76894e-06% change) large trace change predicted (7.17064e-06%) linmin: converged after 3 iterations. iteration 404: trace = 2.485873085637827 (7.17e-06% change) linmin: converged after 3 iterations. iteration 405: trace = 2.485872821346301 (1.06317e-05% change) linmin: converged after 5 iterations. iteration 406: trace = 2.485872729276638 (3.70372e-06% change) large trace change predicted (1.06372e-05%) linmin: converged after 4 iterations. iteration 407: trace = 2.485872464910204 (1.06348e-05% change) linmin: converged after 3 iterations. iteration 408: trace = 2.485872311313276 (6.17879e-06% change) linmin: converged after 14 iterations. iteration 409: trace = 2.485872223936334 (3.51494e-06% change) large trace change predicted (7.78093e-06%) linmin: converged after 5 iterations. iteration 410: trace = 2.485872030531145 (7.78017e-06% change) linmin: converged after 3 iterations. iteration 411: trace = 2.485871884420846 (5.87763e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.485871815218446 (2.78383e-06% change) linmin: converged after 4 iterations. iteration 413: trace = 2.485871683821008 (5.28577e-06% change) linmin: converged after 4 iterations. iteration 414: trace = 2.485871494428108 (7.61877e-06% change) linmin: converged after 5 iterations. iteration 415: trace = 2.48587145720753 (1.49728e-06% change) large trace change predicted (6.71818e-06%) linmin: converged after 3 iterations. iteration 416: trace = 2.485871290193783 (6.71852e-06% change) linmin: converged after 2 iterations. iteration 417: trace = 2.485871231414292 (2.36454e-06% change) linmin: converged after 3 iterations. iteration 418: trace = 2.485871190841979 (1.63212e-06% change) large trace change predicted (7.01105e-06%) linmin: converged after 4 iterations. iteration 419: trace = 2.485871016566595 (7.01064e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.485870912572561 (4.1834e-06% change) linmin: converged after 2 iterations. iteration 421: trace = 2.485870880991395 (1.27043e-06% change) large trace change predicted (3.37745e-06%) linmin: converged after 3 iterations. iteration 422: trace = 2.485870797035556 (3.37732e-06% change) linmin: converged after 3 iterations. iteration 423: trace = 2.485870744256358 (2.12317e-06% change) linmin: converged after 7 iterations. iteration 424: trace = 2.485870670290663 (2.97544e-06% change) linmin: converged after 3 iterations. iteration 425: trace = 2.485870544491732 (5.06056e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.485870481732443 (2.52464e-06% change) linmin: converged after 4 iterations. iteration 427: trace = 2.485870411175001 (2.83834e-06% change) linmin: converged after 26 iterations. iteration 428: trace = 2.485870290780793 (4.84314e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.485870255391174 (1.42363e-06% change) large trace change predicted (4.73544e-06%) linmin: converged after 21 iterations. iteration 430: trace = 2.485870137671351 (4.73556e-06% change) linmin: converged after 15 iterations. iteration 431: trace = 2.485870039418725 (3.95244e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.485869986993713 (2.10892e-06% change) large trace change predicted (5.35082e-06%) linmin: converged after 3 iterations. iteration 433: trace = 2.485869853958143 (5.35167e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.485869680056128 (6.99562e-06% change) linmin: converged after 9 iterations. iteration 435: trace = 2.485869643684701 (1.46313e-06% change) large trace change predicted (5.63131e-06%) linmin: converged after 5 iterations. iteration 436: trace = 2.485869503665958 (5.63259e-06% change) linmin: converged after 14 iterations. iteration 437: trace = 2.485869439645072 (2.57539e-06% change) linmin: converged after 3 iterations. iteration 438: trace = 2.485869413994621 (1.03185e-06% change) large trace change predicted (3.37021e-06%) linmin: converged after 3 iterations. iteration 439: trace = 2.485869330210942 (3.3704e-06% change) linmin: converged after 12 iterations. iteration 440: trace = 2.48586928059478 (1.99593e-06% change) linmin: converged after 3 iterations. iteration 441: trace = 2.485869233179883 (1.90738e-06% change) linmin: converged after 4 iterations. iteration 442: trace = 2.485869145610005 (3.52271e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.485869063473394 (3.30414e-06% change) linmin: converged after 2 iterations. iteration 444: trace = 2.485869041127063 (8.98934e-07% change) large trace change predicted (4.19972e-06%) linmin: converged after 5 iterations. iteration 445: trace = 2.485868936738284 (4.19929e-06% change) linmin: converged after 2 iterations. iteration 446: trace = 2.48586888401891 (2.12076e-06% change) linmin: converged after 4 iterations. iteration 447: trace = 2.485868832915147 (2.05577e-06% change) linmin: converged after 3 iterations. iteration 448: trace = 2.485868747720442 (3.42716e-06% change) linmin: converged after 4 iterations. iteration 449: trace = 2.485868684554225 (2.54101e-06% change) linmin: converged after 2 iterations. iteration 450: trace = 2.485868659687701 (1.00032e-06% change) large trace change predicted (2.96403e-06%) linmin: converged after 4 iterations. iteration 451: trace = 2.485868586011092 (2.96382e-06% change) linmin: converged after 4 iterations. iteration 452: trace = 2.485868490425078 (3.84518e-06% change) linmin: converged after 3 iterations. iteration 453: trace = 2.48586846793009 (9.04915e-07% change) large trace change predicted (2.81081e-06%) linmin: converged after 3 iterations. iteration 454: trace = 2.485868398063671 (2.81054e-06% change) linmin: converged after 7 iterations. iteration 455: trace = 2.485868322227633 (3.05069e-06% change) linmin: converged after 32 iterations. iteration 456: trace = 2.48586830730178 (6.00428e-07% change) large trace change predicted (2.52101e-06%) linmin: converged after 29 iterations. iteration 457: trace = 2.485868244635478 (2.5209e-06% change) linmin: converged after 10 iterations. iteration 458: trace = 2.485868224743199 (8.00215e-07% change) linmin: converged after 2 iterations. iteration 459: trace = 2.485868188256212 (1.46778e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.48586815534189 (1.32406e-06% change) linmin: converged after 3 iterations. iteration 461: trace = 2.485868133450664 (8.80627e-07% change) large trace change predicted (1.98458e-06%) linmin: converged after 3 iterations. iteration 462: trace = 2.485868084120775 (1.98441e-06% change) linmin: converged after 4 iterations. iteration 463: trace = 2.485868019497456 (2.59963e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.485867996293494 (9.33435e-07% change) linmin: converged after 4 iterations. iteration 465: trace = 2.485867953826549 (1.70833e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.485867893073292 (2.44395e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.485867876025061 (6.85806e-07% change) large trace change predicted (2.36046e-06%) linmin: converged after 3 iterations. iteration 468: trace = 2.485867817348503 (2.36041e-06% change) linmin: converged after 2 iterations. iteration 469: trace = 2.485867762714372 (2.19779e-06% change) linmin: converged after 5 iterations. iteration 470: trace = 2.485867734917171 (1.11821e-06% change) large trace change predicted (2.39405e-06%) linmin: converged after 2 iterations. iteration 471: trace = 2.485867675403512 (2.39408e-06% change) linmin: converged after 2 iterations. iteration 472: trace = 2.485867613174001 (2.50333e-06% change) linmin: converged after 16 iterations. iteration 473: trace = 2.485867592989133 (8.11985e-07% change) large trace change predicted (2.0842e-06%) linmin: converged after 8 iterations. iteration 474: trace = 2.485867541177512 (2.08425e-06% change) linmin: converged after 3 iterations. iteration 475: trace = 2.485867507563353 (1.35221e-06% change) linmin: converged after 22 iterations. iteration 476: trace = 2.485867498849147 (3.5055e-07% change) large trace change predicted (7.73015e-07%) linmin: converged after 2 iterations. iteration 477: trace = 2.485867479632895 (7.7302e-07% change) linmin: converged after 17 iterations. iteration 478: trace = 2.485867450606877 (1.16764e-06% change) linmin: converged after 32 iterations. iteration 479: trace = 2.485867444141832 (2.60072e-07% change) large trace change predicted (1.05355e-06%) linmin: converged after 4 iterations. iteration 480: trace = 2.485867417950375 (1.05361e-06% change) linmin: converged after 2 iterations. iteration 481: trace = 2.485867396817774 (8.5011e-07% change) linmin: converged after 2 iterations. iteration 482: trace = 2.485867386773368 (4.0406e-07% change) large trace change predicted (1.09553e-06%) linmin: converged after 3 iterations. iteration 483: trace = 2.485867359538926 (1.09557e-06% change) linmin: converged after 2 iterations. iteration 484: trace = 2.48586732478117 (1.39821e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.485867311055481 (5.52149e-07% change) large trace change predicted (1.7335e-06%) linmin: converged after 3 iterations. iteration 486: trace = 2.485867267961204 (1.73357e-06% change) linmin: converged after 2 iterations. iteration 487: trace = 2.485867244239801 (9.54251e-07% change) linmin: converged after 2 iterations. iteration 488: trace = 2.485867233828202 (4.18832e-07% change) large trace change predicted (1.25791e-06%) linmin: converged after 5 iterations. iteration 489: trace = 2.48586720255778 (1.25793e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.485867179788646 (9.15943e-07% change) linmin: converged after 3 iterations. iteration 491: trace = 2.485867169784331 (4.02448e-07% change) large trace change predicted (9.8972e-07%) linmin: converged after 3 iterations. iteration 492: trace = 2.485867145181219 (9.89719e-07% change) linmin: converged after 2 iterations. iteration 493: trace = 2.485867122368226 (9.17708e-07% change) linmin: converged after 18 iterations. iteration 494: trace = 2.485867109572829 (5.14726e-07% change) large trace change predicted (1.27129e-06%) linmin: converged after 3 iterations. iteration 495: trace = 2.485867077972008 (1.27122e-06% change) linmin: converged after 4 iterations. iteration 496: trace = 2.485867055912573 (8.87394e-07% change) linmin: converged after 2 iterations. iteration 497: trace = 2.485867044729456 (4.49868e-07% change) linmin: converged after 12 iterations. iteration 498: trace = 2.48586702695478 (7.15029e-07% change) linmin: converged after 8 iterations. iteration 499: trace = 2.485867016233747 (4.31279e-07% change) linmin: converged after 3 iterations. iteration 500: trace = 2.485867004623938 (4.67033e-07% change) large trace change predicted (9.55285e-07%) linmin: converged after 3 iterations. iteration 501: trace = 2.485866980878031 (9.55236e-07% change) linmin: converged after 4 iterations. iteration 502: trace = 2.485866973526107 (2.95749e-07% change) linmin: converged after 3 iterations. iteration 503: trace = 2.485866961229981 (4.94641e-07% change) linmin: converged after 3 iterations. iteration 504: trace = 2.485866939099254 (8.90262e-07% change) linmin: converged after 3 iterations. iteration 505: trace = 2.485866918690563 (8.20989e-07% change) linmin: converged after 4 iterations. iteration 506: trace = 2.485866895872162 (9.17925e-07% change) large trace change predicted (1.9145e-06%) linmin: converged after 4 iterations. iteration 507: trace = 2.485866848281662 (1.91444e-06% change) linmin: converged after 3 iterations. iteration 508: trace = 2.485866830020769 (7.34589e-07% change) linmin: converged after 9 iterations. iteration 509: trace = 2.485866798780411 (1.25672e-06% change) linmin: converged after 4 iterations. iteration 510: trace = 2.485866759679631 (1.57292e-06% change) linmin: converged after 3 iterations. iteration 511: trace = 2.485866751384479 (3.33693e-07% change) large trace change predicted (1.41447e-06%) linmin: converged after 2 iterations. iteration 512: trace = 2.485866716222462 (1.41448e-06% change) linmin: converged after 2 iterations. iteration 513: trace = 2.485866691268892 (1.00382e-06% change) linmin: converged after 3 iterations. iteration 514: trace = 2.485866681071788 (4.10203e-07% change) large trace change predicted (1.17446e-06%) linmin: converged after 2 iterations. iteration 515: trace = 2.485866651874806 (1.17452e-06% change) linmin: converged after 30 iterations. iteration 516: trace = 2.485866629997839 (8.80054e-07% change) linmin: converged after 24 iterations. iteration 517: trace = 2.485866618664308 (4.55919e-07% change) large trace change predicted (1.14796e-06%) linmin: converged after 3 iterations. iteration 518: trace = 2.485866590126886 (1.14799e-06% change) linmin: converged after 3 iterations. iteration 519: trace = 2.485866569538686 (8.2821e-07% change) linmin: converged after 8 iterations. iteration 520: trace = 2.48586655371236 (6.36652e-07% change) linmin: converged after 4 iterations. iteration 521: trace = 2.485866548712139 (2.01146e-07% change) large trace change predicted (9.13106e-07%) linmin: converged after 4 iterations. iteration 522: trace = 2.485866526013558 (9.13105e-07% change) linmin: converged after 2 iterations. iteration 523: trace = 2.485866506401708 (7.88934e-07% change) linmin: converged after 3 iterations. iteration 524: trace = 2.48586649009149 (6.56118e-07% change) large trace change predicted (1.48377e-06%) linmin: converged after 3 iterations. iteration 525: trace = 2.485866453205912 (1.48381e-06% change) linmin: converged after 4 iterations. iteration 526: trace = 2.485866436147058 (6.86234e-07% change) linmin: converged after 2 iterations. iteration 527: trace = 2.485866420919921 (6.12548e-07% change) linmin: converged after 2 iterations. iteration 528: trace = 2.485866390685679 (1.21625e-06% change) linmin: converged after 3 iterations. iteration 529: trace = 2.485866382828613 (3.1607e-07% change) large trace change predicted (9.44287e-07%) linmin: converged after 3 iterations. iteration 530: trace = 2.48586635935478 (9.44292e-07% change) linmin: converged after 20 iterations. iteration 531: trace = 2.485866335741836 (9.49888e-07% change) linmin: converged after 22 iterations. iteration 532: trace = 2.485866323248332 (5.02581e-07% change) large trace change predicted (1.07893e-06%) linmin: converged after 16 iterations. iteration 533: trace = 2.485866296426903 (1.07896e-06% change) linmin: converged after 5 iterations. iteration 534: trace = 2.48586626738511 (1.16828e-06% change) linmin: converged after 6 iterations. iteration 535: trace = 2.485866258972777 (3.38407e-07% change) large trace change predicted (9.12254e-07%) linmin: converged after 2 iterations. iteration 536: trace = 2.485866236295242 (9.12259e-07% change) linmin: converged after 5 iterations. iteration 537: trace = 2.485866212413076 (9.60718e-07% change) linmin: converged after 3 iterations. iteration 538: trace = 2.485866205654591 (2.71876e-07% change) large trace change predicted (7.64061e-07%) linmin: converged after 20 iterations. iteration 539: trace = 2.485866186660834 (7.6407e-07% change) linmin: converged after 4 iterations. iteration 540: trace = 2.485866170809313 (6.37666e-07% change) linmin: converged after 5 iterations. iteration 541: trace = 2.485866165744737 (2.03735e-07% change) large trace change predicted (7.56376e-07%) linmin: converged after 5 iterations. iteration 542: trace = 2.485866146942725 (7.56357e-07% change) linmin: converged after 11 iterations. iteration 543: trace = 2.485866130747774 (6.51481e-07% change) linmin: converged after 4 iterations. iteration 544: trace = 2.485866122032381 (3.50598e-07% change) large trace change predicted (1.51451e-06%) linmin: converged after 11 iterations. iteration 545: trace = 2.485866084388703 (1.51431e-06% change) linmin: converged after 29 iterations. iteration 546: trace = 2.485866075186559 (3.70179e-07% change) large trace change predicted (8.77737e-07%) linmin: converged after 4 iterations. iteration 547: trace = 2.485866053368421 (8.77688e-07% change) linmin: converged after 6 iterations. iteration 548: trace = 2.485866031826706 (8.66568e-07% change) linmin: converged after 4 iterations. iteration 549: trace = 2.485866010483658 (8.58576e-07% change) linmin: converged after 3 iterations. iteration 550: trace = 2.485866005734243 (1.91057e-07% change) large trace change predicted (9.3547e-07%) linmin: converged after 21 iterations. iteration 551: trace = 2.485865982479988 (9.35459e-07% change) linmin: converged after 3 iterations. iteration 552: trace = 2.485865964358965 (7.28962e-07% change) linmin: converged after 11 iterations. iteration 553: trace = 2.485865958564203 (2.33108e-07% change) large trace change predicted (5.43682e-07%) linmin: converged after 3 iterations. iteration 554: trace = 2.485865945048811 (5.43689e-07% change) linmin: converged after 6 iterations. iteration 555: trace = 2.485865926177687 (7.59137e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.485865921908739 (1.71729e-07% change) large trace change predicted (3.74282e-07%) linmin: converged after 4 iterations. iteration 557: trace = 2.485865912604631 (3.7428e-07% change) linmin: converged after 7 iterations. iteration 558: trace = 2.485865898763034 (5.56812e-07% change) linmin: converged after 2 iterations. iteration 559: trace = 2.485865890594146 (3.28613e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.485865883198732 (2.97498e-07% change) linmin: converged after 18 iterations. iteration 561: trace = 2.485865871369293 (4.75868e-07% change) linmin: converged after 4 iterations. iteration 562: trace = 2.485865863708871 (3.08159e-07% change) linmin: converged after 2 iterations. iteration 563: trace = 2.485865860684591 (1.21659e-07% change) large trace change predicted (6.55238e-07%) linmin: converged after 14 iterations. iteration 564: trace = 2.485865844397677 (6.55181e-07% change) linmin: converged after 26 iterations. iteration 565: trace = 2.485865835896939 (3.41963e-07% change) linmin: converged after 5 iterations. iteration 566: trace = 2.485865828655967 (2.91286e-07% change) linmin: converged after 3 iterations. iteration 567: trace = 2.485865815810901 (5.16724e-07% change) linmin: converged after 3 iterations. iteration 568: trace = 2.485865807771368 (3.2341e-07% change) linmin: converged after 5 iterations. iteration 569: trace = 2.485865795146291 (5.07874e-07% change) linmin: converged after 2 iterations. iteration 570: trace = 2.485865781367603 (5.54281e-07% change) linmin: converged after 20 iterations. iteration 571: trace = 2.485865772803337 (3.44518e-07% change) linmin: converged after 3 iterations. iteration 572: trace = 2.485865764162654 (3.47592e-07% change) linmin: converged after 4 iterations. iteration 573: trace = 2.485865747759466 (6.59858e-07% change) linmin: converged after 4 iterations. iteration 574: trace = 2.485865742153827 (2.255e-07% change) large trace change predicted (6.79819e-07%) linmin: converged after 3 iterations. iteration 575: trace = 2.485865725253269 (6.79866e-07% change) linmin: converged after 3 iterations. iteration 576: trace = 2.485865711751071 (5.43159e-07% change) linmin: converged after 3 iterations. iteration 577: trace = 2.485865708891211 (1.15045e-07% change) large trace change predicted (3.69306e-07%) linmin: converged after 3 iterations. iteration 578: trace = 2.485865699710651 (3.6931e-07% change) linmin: converged after 11 iterations. iteration 579: trace = 2.485865691388251 (3.34789e-07% change) linmin: converged after 7 iterations. iteration 580: trace = 2.485865683910438 (3.00813e-07% change) linmin: converged after 12 iterations. iteration 581: trace = 2.48586567938243 (1.8215e-07% change) large trace change predicted (4.60106e-07%) linmin: converged after 3 iterations. iteration 582: trace = 2.485865667945014 (4.60098e-07% change) linmin: converged after 3 iterations. iteration 583: trace = 2.485865662952972 (2.00817e-07% change) linmin: converged after 4 iterations. iteration 584: trace = 2.485865656701815 (2.51468e-07% change) large trace change predicted (5.37333e-07%) linmin: converged after 4 iterations. iteration 585: trace = 2.485865643345008 (5.3731e-07% change) linmin: converged after 4 iterations. iteration 586: trace = 2.485865640616766 (1.0975e-07% change) large trace change predicted (4.63027e-07%) linmin: converged after 3 iterations. iteration 587: trace = 2.48586562910696 (4.6301e-07% change) linmin: converged after 7 iterations. iteration 588: trace = 2.485865620579228 (3.43049e-07% change) linmin: converged after 4 iterations. iteration 589: trace = 2.485865610866434 (3.90721e-07% change) linmin: converged after 11 iterations. iteration 590: trace = 2.485865608049879 (1.13303e-07% change) large trace change predicted (4.24282e-07%) linmin: converged after 20 iterations. iteration 591: trace = 2.485865597503016 (4.24273e-07% change) linmin: converged after 14 iterations. iteration 592: trace = 2.485865593504626 (1.60845e-07% change) linmin: converged after 14 iterations. iteration 593: trace = 2.485865587123043 (2.56715e-07% change) linmin: converged after 5 iterations. iteration 594: trace = 2.485865576458851 (4.28993e-07% change) linmin: converged after 4 iterations. iteration 595: trace = 2.485865572939455 (1.41576e-07% change) linmin: converged after 4 iterations. iteration 596: trace = 2.48586556675149 (2.48926e-07% change) linmin: converged after 4 iterations. iteration 597: trace = 2.485865560634619 (2.46066e-07% change) linmin: converged after 19 iterations. iteration 598: trace = 2.485865559082415 (6.24412e-08% change) large trace change predicted (2.19717e-07%) linmin: converged after 3 iterations. iteration 599: trace = 2.485865553620635 (2.19713e-07% change) linmin: converged after 3 iterations. iteration 600: trace = 2.485865549531818 (1.64483e-07% change) linmin: converged after 6 iterations. iteration 601: trace = 2.485865547203728 (9.36531e-08% change) large trace change predicted (2.17335e-07%) linmin: converged after 4 iterations. iteration 602: trace = 2.485865541801099 (2.17334e-07% change) linmin: converged after 3 iterations. iteration 603: trace = 2.485865536131561 (2.28071e-07% change) linmin: converged after 9 iterations. iteration 604: trace = 2.485865532492405 (1.46394e-07% change) large trace change predicted (3.47301e-07%) linmin: converged after 8 iterations. iteration 605: trace = 2.485865523859311 (3.47287e-07% change) linmin: converged after 6 iterations. iteration 606: trace = 2.485865519053076 (1.93343e-07% change) linmin: converged after 8 iterations. iteration 607: trace = 2.485865516999705 (8.26018e-08% change) large trace change predicted (3.24611e-07%) linmin: converged after 4 iterations. iteration 608: trace = 2.485865508930416 (3.24607e-07% change) linmin: converged after 3 iterations. iteration 609: trace = 2.485865503966822 (1.99673e-07% change) linmin: converged after 4 iterations. iteration 610: trace = 2.485865498832388 (2.06545e-07% change) linmin: converged after 4 iterations. iteration 611: trace = 2.485865491854048 (2.80721e-07% change) linmin: converged after 14 iterations. iteration 612: trace = 2.485865482931558 (3.58929e-07% change) linmin: converged after 10 iterations. iteration 613: trace = 2.485865481365619 (6.29937e-08% change) large trace change predicted (2.19712e-07%) linmin: converged after 4 iterations. iteration 614: trace = 2.485865475903803 (2.19715e-07% change) linmin: converged after 4 iterations. iteration 615: trace = 2.485865472071529 (1.54163e-07% change) linmin: converged after 6 iterations. iteration 616: trace = 2.485865471161913 (3.65915e-08% change) large trace change predicted (9.4761e-08%) linmin: converged after 6 iterations. iteration 617: trace = 2.485865468806269 (9.47615e-08% change) linmin: converged after 2 iterations. iteration 618: trace = 2.485865465853961 (1.18764e-07% change) linmin: converged after 27 iterations. iteration 619: trace = 2.485865464892822 (3.86642e-08% change) large trace change predicted (1.09374e-07%) linmin: converged after 2 iterations. iteration 620: trace = 2.485865462173916 (1.09375e-07% change) linmin: converged after 5 iterations. iteration 621: trace = 2.485865459243237 (1.17894e-07% change) linmin: converged after 4 iterations. iteration 622: trace = 2.485865458284646 (3.85617e-08% change) large trace change predicted (1.13672e-07%) linmin: converged after 4 iterations. iteration 623: trace = 2.485865455458881 (1.13673e-07% change) linmin: converged after 12 iterations. iteration 624: trace = 2.485865450855711 (1.85174e-07% change) linmin: converged after 28 iterations. iteration 625: trace = 2.485865449820198 (4.1656e-08% change) large trace change predicted (1.97861e-07%) linmin: converged after 8 iterations. iteration 626: trace = 2.485865444901576 (1.97864e-07% change) linmin: converged after 4 iterations. iteration 627: trace = 2.485865442227376 (1.07576e-07% change) linmin: converged after 3 iterations. iteration 628: trace = 2.48586544082506 (5.64116e-08% change) large trace change predicted (1.3045e-07%) linmin: converged after 4 iterations. iteration 629: trace = 2.485865437582248 (1.3045e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.48586543541829 (8.70505e-08% change) linmin: converged after 6 iterations. iteration 631: trace = 2.485865433787513 (6.5602e-08% change) linmin: converged after 6 iterations. iteration 632: trace = 2.485865430826964 (1.19095e-07% change) linmin: converged after 3 iterations. iteration 633: trace = 2.485865427173128 (1.46984e-07% change) linmin: converged after 22 iterations. iteration 634: trace = 2.485865425780974 (5.60028e-08% change) large trace change predicted (1.63076e-07%) linmin: converged after 12 iterations. iteration 635: trace = 2.485865421727208 (1.63073e-07% change) linmin: converged after 5 iterations. iteration 636: trace = 2.485865420716171 (4.06714e-08% change) linmin: converged after 8 iterations. iteration 637: trace = 2.485865418741218 (7.94473e-08% change) linmin: converged after 4 iterations. iteration 638: trace = 2.485865416308797 (9.78501e-08% change) linmin: converged after 4 iterations. iteration 639: trace = 2.485865415586216 (2.90676e-08% change) large trace change predicted (7.8939e-08%) linmin: converged after 3 iterations. iteration 640: trace = 2.485865413623912 (7.89385e-08% change) linmin: converged after 4 iterations. iteration 641: trace = 2.485865411064103 (1.02975e-07% change) linmin: converged after 3 iterations. iteration 642: trace = 2.485865409666585 (5.62186e-08% change) linmin: converged after 3 iterations. iteration 643: trace = 2.485865408621831 (4.20278e-08% change) large trace change predicted (1.1032e-07%) linmin: converged after 6 iterations. iteration 644: trace = 2.485865405879441 (1.10319e-07% change) linmin: converged after 4 iterations. iteration 645: trace = 2.485865404359473 (6.11444e-08% change) large trace change predicted (1.35969e-07%) linmin: converged after 7 iterations. iteration 646: trace = 2.485865400979491 (1.35968e-07% change) linmin: converged after 17 iterations. iteration 647: trace = 2.48586539529247 (2.28774e-07% change) linmin: converged after 29 iterations. iteration 648: trace = 2.485865393324314 (7.91739e-08% change) linmin: converged after 4 iterations. iteration 649: trace = 2.485865389599396 (1.49844e-07% change) linmin: converged after 4 iterations. iteration 650: trace = 2.48586538469004 (1.97491e-07% change) linmin: converged after 4 iterations. iteration 651: trace = 2.485865383643857 (4.20853e-08% change) large trace change predicted (1.66559e-07%) linmin: converged after 4 iterations. iteration 652: trace = 2.485865379503407 (1.6656e-07% change) linmin: converged after 3 iterations. iteration 653: trace = 2.485865377013683 (1.00155e-07% change) linmin: converged after 5 iterations. iteration 654: trace = 2.485865375630695 (5.5634e-08% change) large trace change predicted (1.67618e-07%) linmin: converged after 3 iterations. iteration 655: trace = 2.485865371463805 (1.67623e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.485865368074782 (1.36332e-07% change) linmin: converged after 4 iterations. iteration 657: trace = 2.485865366747093 (5.34095e-08% change) large trace change predicted (1.17999e-07%) linmin: converged after 3 iterations. iteration 658: trace = 2.485865363813772 (1.18e-07% change) linmin: converged after 4 iterations. iteration 659: trace = 2.485865361439716 (9.55022e-08% change) linmin: converged after 2 iterations. iteration 660: trace = 2.485865359244011 (8.83276e-08% change) linmin: converged after 12 iterations. iteration 661: trace = 2.485865358233724 (4.06413e-08% change) large trace change predicted (1.01237e-07%) linmin: converged after 3 iterations. iteration 662: trace = 2.485865355717102 (1.01237e-07% change) linmin: converged after 4 iterations. iteration 663: trace = 2.48586535300271 (1.09193e-07% change) linmin: converged after 4 iterations. iteration 664: trace = 2.485865351824437 (4.73989e-08% change) large trace change predicted (1.50156e-07%) linmin: converged after 2 iterations. iteration 665: trace = 2.485865348091738 (1.50157e-07% change) linmin: converged after 4 iterations. iteration 666: trace = 2.485865345448826 (1.06318e-07% change) linmin: converged after 11 iterations. iteration 667: trace = 2.485865343746249 (6.84903e-08% change) large trace change predicted (1.49826e-07%) linmin: converged after 4 iterations. iteration 668: trace = 2.485865340021753 (1.49827e-07% change) linmin: converged after 7 iterations. iteration 669: trace = 2.485865339024858 (4.01025e-08% change) large trace change predicted (1.21677e-07%) linmin: converged after 22 iterations. iteration 670: trace = 2.485865336000082 (1.21679e-07% change) linmin: converged after 6 iterations. iteration 671: trace = 2.485865333249115 (1.10664e-07% change) linmin: converged after 3 iterations. iteration 672: trace = 2.485865331497596 (7.04591e-08% change) linmin: converged after 2 iterations. iteration 673: trace = 2.485865328692755 (1.12832e-07% change) linmin: converged after 17 iterations. iteration 674: trace = 2.485865324656489 (1.62369e-07% change) linmin: converged after 7 iterations. iteration 675: trace = 2.485865323681069 (3.92387e-08% change) large trace change predicted (1.06218e-07%) linmin: converged after 4 iterations. iteration 676: trace = 2.48586532104061 (1.06219e-07% change) linmin: converged after 4 iterations. iteration 677: trace = 2.485865318047731 (1.20396e-07% change) linmin: converged after 4 iterations. iteration 678: trace = 2.485865317355628 (2.78415e-08% change) large trace change predicted (1.01426e-07%) linmin: converged after 2 iterations. iteration 679: trace = 2.485865314834305 (1.01426e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.485865312919978 (7.70085e-08% change) linmin: converged after 6 iterations. iteration 681: trace = 2.485865312027291 (3.59105e-08% change) linmin: converged after 4 iterations. iteration 682: trace = 2.485865310276112 (7.04454e-08% change) linmin: converged after 19 iterations. iteration 683: trace = 2.485865307493994 (1.11917e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.485865306098545 (5.61353e-08% change) large trace change predicted (1.32098e-07%) linmin: converged after 4 iterations. iteration 685: trace = 2.485865302814865 (1.32094e-07% change) linmin: converged after 13 iterations. iteration 686: trace = 2.485865300026325 (1.12176e-07% change) linmin: converged after 3 iterations. iteration 687: trace = 2.485865299163148 (3.47234e-08% change) large trace change predicted (1.03175e-07%) linmin: converged after 4 iterations. iteration 688: trace = 2.485865296598393 (1.03174e-07% change) linmin: converged after 3 iterations. iteration 689: trace = 2.485865294306469 (9.21982e-08% change) linmin: converged after 5 iterations. iteration 690: trace = 2.485865293381978 (3.71899e-08% change) large trace change predicted (9.65726e-08%) linmin: converged after 13 iterations. iteration 691: trace = 2.485865290981323 (9.65722e-08% change) linmin: converged after 3 iterations. iteration 692: trace = 2.485865289201401 (7.16017e-08% change) linmin: converged after 3 iterations. iteration 693: trace = 2.485865288198151 (4.03582e-08% change) linmin: converged after 4 iterations. iteration 694: trace = 2.485865286439175 (7.07591e-08% change) linmin: converged after 8 iterations. iteration 695: trace = 2.485865283907873 (1.01828e-07% change) linmin: converged after 16 iterations. iteration 696: trace = 2.485865283583839 (1.3035e-08% change) large trace change predicted (5.9495e-08%) linmin: converged after 4 iterations. iteration 697: trace = 2.485865282104879 (5.94948e-08% change) linmin: converged after 4 iterations. iteration 698: trace = 2.485865280604293 (6.03648e-08% change) large trace change predicted (1.33776e-07%) linmin: converged after 4 iterations. iteration 699: trace = 2.485865277278877 (1.33773e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.485865274452708 (1.1369e-07% change) linmin: converged after 4 iterations. iteration 701: trace = 2.485865273109587 (5.40303e-08% change) linmin: converged after 2 iterations. iteration 702: trace = 2.485865272512046 (2.40375e-08% change) linmin: converged after 4 iterations. iteration 703: trace = 2.485865271690666 (3.3042e-08% change) linmin: converged after 4 iterations. iteration 704: trace = 2.48586527009937 (6.40137e-08% change) linmin: converged after 6 iterations. iteration 705: trace = 2.485865269650481 (1.80577e-08% change) large trace change predicted (6.21585e-08%) linmin: converged after 7 iterations. iteration 706: trace = 2.485865268105322 (6.21578e-08% change) linmin: converged after 4 iterations. iteration 707: trace = 2.485865266427404 (6.74984e-08% change) linmin: converged after 2 iterations. iteration 708: trace = 2.485865265636122 (3.18312e-08% change) linmin: converged after 16 iterations. iteration 709: trace = 2.485865264471996 (4.68298e-08% change) linmin: converged after 4 iterations. iteration 710: trace = 2.48586526278609 (6.78197e-08% change) linmin: converged after 4 iterations. iteration 711: trace = 2.485865262330762 (1.83167e-08% change) large trace change predicted (7.09122e-08%) linmin: converged after 7 iterations. iteration 712: trace = 2.48586526056796 (7.0913e-08% change) linmin: converged after 4 iterations. iteration 713: trace = 2.485865259129184 (5.78783e-08% change) linmin: converged after 5 iterations. iteration 714: trace = 2.485865258609236 (2.09162e-08% change) large trace change predicted (8.90484e-08%) linmin: converged after 5 iterations. iteration 715: trace = 2.485865256395566 (8.90503e-08% change) linmin: converged after 5 iterations. iteration 716: trace = 2.485865254644665 (7.04342e-08% change) linmin: converged after 18 iterations. iteration 717: trace = 2.485865254231463 (1.66221e-08% change) large trace change predicted (3.49756e-08%) linmin: converged after 6 iterations. iteration 718: trace = 2.485865253362014 (3.49757e-08% change) linmin: converged after 3 iterations. iteration 719: trace = 2.485865252400799 (3.86672e-08% change) linmin: converged after 4 iterations. iteration 720: trace = 2.485865252134373 (1.07176e-08% change) large trace change predicted (4.68321e-08%) linmin: converged after 4 iterations. iteration 721: trace = 2.485865250970197 (4.68319e-08% change) linmin: converged after 4 iterations. iteration 722: trace = 2.485865249725378 (5.00759e-08% change) linmin: converged after 6 iterations. iteration 723: trace = 2.485865249303344 (1.69774e-08% change) large trace change predicted (4.16707e-08%) linmin: converged after 4 iterations. iteration 724: trace = 2.485865248267469 (4.16706e-08% change) linmin: converged after 4 iterations. iteration 725: trace = 2.485865246820299 (5.82159e-08% change) linmin: converged after 4 iterations. iteration 726: trace = 2.48586524644703 (1.50157e-08% change) large trace change predicted (4.78694e-08%) linmin: converged after 9 iterations. iteration 727: trace = 2.485865245257072 (4.78689e-08% change) linmin: converged after 5 iterations. iteration 728: trace = 2.485865244055209 (4.83479e-08% change) linmin: converged after 24 iterations. iteration 729: trace = 2.485865243396975 (2.64791e-08% change) linmin: converged after 4 iterations. iteration 730: trace = 2.485865242756343 (2.5771e-08% change) linmin: converged after 8 iterations. iteration 731: trace = 2.485865241644774 (4.47156e-08% change) linmin: converged after 2 iterations. iteration 732: trace = 2.485865241069395 (2.3146e-08% change) linmin: converged after 4 iterations. iteration 733: trace = 2.485865240248724 (3.30135e-08% change) linmin: converged after 7 iterations. iteration 734: trace = 2.485865239042962 (4.85047e-08% change) linmin: converged after 4 iterations. iteration 735: trace = 2.48586523848481 (2.2453e-08% change) linmin: converged after 3 iterations. iteration 736: trace = 2.485865238100206 (1.54716e-08% change) large trace change predicted (3.4548e-08%) linmin: converged after 3 iterations. iteration 737: trace = 2.485865237241395 (3.45478e-08% change) linmin: converged after 20 iterations. iteration 738: trace = 2.485865236900455 (1.37152e-08% change) linmin: converged after 3 iterations. iteration 739: trace = 2.485865236454114 (1.79552e-08% change) linmin: converged after 4 iterations. iteration 740: trace = 2.485865235980166 (1.90657e-08% change) linmin: converged after 4 iterations. iteration 741: trace = 2.485865235703937 (1.1112e-08% change) large trace change predicted (2.86331e-08%) linmin: converged after 3 iterations. iteration 742: trace = 2.485865234992159 (2.8633e-08% change) linmin: converged after 4 iterations. iteration 743: trace = 2.485865233985277 (4.05043e-08% change) linmin: converged after 3 iterations. iteration 744: trace = 2.485865233754162 (9.29717e-09% change) large trace change predicted (3.0813e-08%) linmin: converged after 7 iterations. iteration 745: trace = 2.485865232988195 (3.08129e-08% change) linmin: converged after 2 iterations. iteration 746: trace = 2.48586523222742 (3.06041e-08% change) linmin: converged after 4 iterations. iteration 747: trace = 2.485865231670393 (2.24078e-08% change) linmin: converged after 2 iterations. iteration 748: trace = 2.485865231406732 (1.06064e-08% change) large trace change predicted (3.46596e-08%) linmin: converged after 16 iterations. iteration 749: trace = 2.485865230545142 (3.46596e-08% change) linmin: converged after 24 iterations. iteration 750: trace = 2.485865229954649 (2.3754e-08% change) linmin: converged after 3 iterations. iteration 751: trace = 2.485865229421019 (2.14666e-08% change) linmin: converged after 4 iterations. iteration 752: trace = 2.485865228599152 (3.30616e-08% change) linmin: converged after 3 iterations. iteration 753: trace = 2.48586522777317 (3.32271e-08% change) linmin: converged after 2 iterations. iteration 754: trace = 2.485865227627385 (5.86455e-09% change) large trace change predicted (2.5362e-08%) linmin: converged after 3 iterations. iteration 755: trace = 2.485865226996919 (2.5362e-08% change) linmin: converged after 4 iterations. iteration 756: trace = 2.485865226777721 (8.81777e-09% change) linmin: converged after 4 iterations. iteration 757: trace = 2.485865226608296 (6.81555e-09% change) linmin: converged after 2 iterations. iteration 758: trace = 2.4858652262888 (1.28525e-08% change) linmin: converged after 3 iterations. iteration 759: trace = 2.485865226040943 (9.97065e-09% change) linmin: converged after 36 iterations. iteration 760: trace = 2.485865225811314 (9.23738e-09% change) linmin: converged after 7 iterations. iteration 761: trace = 2.485865225440171 (1.49302e-08% change) linmin: converged after 4 iterations. iteration 762: trace = 2.485865225288361 (6.10691e-09% change) linmin: converged after 8 iterations. iteration 763: trace = 2.485865225055666 (9.36071e-09% change) large trace change predicted (2.08393e-08%) linmin: converged after 3 iterations. iteration 764: trace = 2.485865224537629 (2.08393e-08% change) linmin: converged after 4 iterations. iteration 765: trace = 2.485865224428886 (4.37444e-09% change) large trace change predicted (2.18974e-08%) linmin: converged after 2 iterations. iteration 766: trace = 2.485865223884546 (2.18974e-08% change) linmin: converged after 4 iterations. iteration 767: trace = 2.485865223528712 (1.43143e-08% change) linmin: converged after 19 iterations. iteration 768: trace = 2.485865223237374 (1.17197e-08% change) linmin: converged after 3 iterations. iteration 769: trace = 2.485865223118294 (4.79028e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 770: trace = 2.485865223011 (4.31619e-09% change) large trace change predicted (9.04054e-09%) linmin: converged after 3 iterations. iteration 771: trace = 2.485865222786265 (9.04051e-09% change) linmin: converged after 3 iterations. iteration 772: trace = 2.485865222399922 (1.55416e-08% change) linmin: converged after 20 iterations. iteration 773: trace = 2.485865222186273 (8.59454e-09% change) linmin: converged after 6 iterations. iteration 774: trace = 2.485865221898463 (1.15779e-08% change) linmin: converged after 5 iterations. iteration 775: trace = 2.48586522146721 (1.73482e-08% change) linmin: converged after 3 iterations. iteration 776: trace = 2.485865221322491 (5.82165e-09% change) linmin: converged after 4 iterations. iteration 777: trace = 2.485865221071898 (1.00807e-08% change) linmin: converged after 14 iterations. iteration 778: trace = 2.485865220836317 (9.4768e-09% change) linmin: converged after 4 iterations. iteration 779: trace = 2.485865220740158 (3.86823e-09% change) large trace change predicted (1.14534e-08%) linmin: converged after 4 iterations. iteration 780: trace = 2.485865220455443 (1.14534e-08% change) linmin: converged after 3 iterations. iteration 781: trace = 2.485865220145579 (1.2465e-08% change) linmin: converged after 5 iterations. iteration 782: trace = 2.485865220056235 (3.5941e-09% change) large trace change predicted (7.83068e-09%) linmin: converged after 21 iterations. iteration 783: trace = 2.485865219861578 (7.83052e-09% change) linmin: converged after 3 iterations. iteration 784: trace = 2.485865219507575 (1.42406e-08% change) linmin: converged after 4 iterations. iteration 785: trace = 2.485865219385597 (4.90688e-09% change) large trace change predicted (2.33241e-08%) linmin: converged after 6 iterations. iteration 786: trace = 2.485865218805796 (2.33239e-08% change) linmin: converged after 14 iterations. iteration 787: trace = 2.48586521851486 (1.17036e-08% change) linmin: converged after 8 iterations. iteration 788: trace = 2.485865218115399 (1.60693e-08% change) linmin: converged after 5 iterations. iteration 789: trace = 2.485865217583654 (2.13907e-08% change) linmin: converged after 6 iterations. iteration 790: trace = 2.485865217173871 (1.64845e-08% change) linmin: converged after 3 iterations. iteration 791: trace = 2.485865216926728 (9.94194e-09% change) linmin: converged after 3 iterations. iteration 792: trace = 2.485865216527604 (1.60557e-08% change) linmin: converged after 4 iterations. iteration 793: trace = 2.48586521613341 (1.58574e-08% change) linmin: converged after 19 iterations. iteration 794: trace = 2.485865216008527 (5.02371e-09% change) large trace change predicted (2.05309e-08%) linmin: converged after 28 iterations. iteration 795: trace = 2.485865215498157 (2.05309e-08% change) linmin: converged after 3 iterations. iteration 796: trace = 2.485865215057126 (1.77415e-08% change) linmin: converged after 4 iterations. iteration 797: trace = 2.485865214868046 (7.60624e-09% change) linmin: converged after 18 iterations. iteration 798: trace = 2.485865214627248 (9.68667e-09% change) linmin: converged after 3 iterations. iteration 799: trace = 2.48586521436607 (1.05065e-08% change) linmin: converged after 5 iterations. iteration 800: trace = 2.485865214260306 (4.25463e-09% change) large trace change predicted (9.64774e-09%) linmin: converged after 5 iterations. iteration 801: trace = 2.485865214020475 (9.6478e-09% change) linmin: converged after 8 iterations. iteration 802: trace = 2.485865213660384 (1.44855e-08% change) linmin: converged after 18 iterations. iteration 803: trace = 2.485865213293775 (1.47477e-08% change) linmin: converged after 3 iterations. iteration 804: trace = 2.485865213147058 (5.90203e-09% change) large trace change predicted (1.40192e-08%) linmin: converged after 27 iterations. iteration 805: trace = 2.485865212798556 (1.40194e-08% change) linmin: converged after 23 iterations. iteration 806: trace = 2.485865212446051 (1.41803e-08% change) linmin: converged after 4 iterations. iteration 807: trace = 2.48586521225953 (7.50328e-09% change) large trace change predicted (1.82494e-08%) linmin: converged after 12 iterations. iteration 808: trace = 2.485865211805874 (1.82494e-08% change) linmin: converged after 19 iterations. iteration 809: trace = 2.48586521154175 (1.0625e-08% change) linmin: converged after 24 iterations. iteration 810: trace = 2.485865211390417 (6.08773e-09% change) large trace change predicted (1.64098e-08%) linmin: converged after 5 iterations. iteration 811: trace = 2.48586521098249 (1.64099e-08% change) linmin: converged after 4 iterations. iteration 812: trace = 2.485865210631671 (1.41126e-08% change) linmin: converged after 4 iterations. iteration 813: trace = 2.485865210438951 (7.75262e-09% change) large trace change predicted (1.78519e-08%) linmin: converged after 16 iterations. iteration 814: trace = 2.485865209995174 (1.7852e-08% change) linmin: converged after 4 iterations. iteration 815: trace = 2.485865209712896 (1.13553e-08% change) linmin: converged after 4 iterations. iteration 816: trace = 2.485865209574998 (5.54729e-09% change) large trace change predicted (1.42357e-08%) linmin: converged after 6 iterations. iteration 817: trace = 2.485865209221114 (1.42358e-08% change) linmin: converged after 2 iterations. iteration 818: trace = 2.485865208981652 (9.63294e-09% change) linmin: converged after 5 iterations. iteration 819: trace = 2.485865208898662 (3.3385e-09% change) large trace change predicted (1.07403e-08%) linmin: converged after 4 iterations. iteration 820: trace = 2.485865208631673 (1.07403e-08% change) linmin: converged after 7 iterations. iteration 821: trace = 2.485865208468182 (6.57682e-09% change) linmin: converged after 24 iterations. iteration 822: trace = 2.485865208357853 (4.43824e-09% change) large trace change predicted (1.4529e-08%) linmin: converged after 6 iterations. iteration 823: trace = 2.485865207996689 (1.45287e-08% change) linmin: converged after 4 iterations. iteration 824: trace = 2.485865207478519 (2.08446e-08% change) linmin: converged after 14 iterations. iteration 825: trace = 2.485865207342512 (5.47122e-09% change) linmin: converged after 12 iterations. iteration 826: trace = 2.485865207111771 (9.28211e-09% change) linmin: converged after 6 iterations. iteration 827: trace = 2.485865206773928 (1.35906e-08% change) linmin: converged after 28 iterations. iteration 828: trace = 2.485865206645257 (5.1761e-09% change) linmin: converged after 4 iterations. iteration 829: trace = 2.48586520642048 (9.04221e-09% change) linmin: converged after 4 iterations. iteration 830: trace = 2.485865206093515 (1.3153e-08% change) linmin: converged after 9 iterations. iteration 831: trace = 2.485865205921032 (6.93856e-09% change) linmin: converged after 12 iterations. iteration 832: trace = 2.485865205810471 (4.44756e-09% change) large trace change predicted (1.16417e-08%) linmin: converged after 3 iterations. iteration 833: trace = 2.485865205521074 (1.16417e-08% change) linmin: converged after 18 iterations. iteration 834: trace = 2.485865205456227 (2.60864e-09% change) large trace change predicted (9.12047e-09%) linmin: converged after 6 iterations. iteration 835: trace = 2.485865205229504 (9.12049e-09% change) linmin: converged after 12 iterations. iteration 836: trace = 2.485865205086512 (5.75221e-09% change) linmin: converged after 15 iterations. iteration 837: trace = 2.485865205035641 (2.0464e-09% change) large trace change predicted (7.69715e-09%) linmin: converged after 4 iterations. iteration 838: trace = 2.485865204844301 (7.69713e-09% change) large trace change predicted (3.31943e-08%) linmin: converged after 8 iterations. iteration 839: trace = 2.485865204019138 (3.31942e-08% change) resetting CG direction... linmin: converged after 25 iterations. iteration 840: trace = 2.485865203667318 (1.41529e-08% change) linmin: converged after 2 iterations. iteration 841: trace = 2.485865203254224 (1.66177e-08% change) linmin: converged after 26 iterations. iteration 842: trace = 2.485865203122991 (5.27918e-09% change) linmin: converged after 12 iterations. iteration 843: trace = 2.485865203082156 (1.64267e-09% change) large trace change predicted (4.71965e-09%) linmin: converged after 3 iterations. iteration 844: trace = 2.485865202964833 (4.71961e-09% change) linmin: converged after 19 iterations. iteration 845: trace = 2.485865202835416 (5.20615e-09% change) linmin: converged after 4 iterations. iteration 846: trace = 2.485865202757523 (3.13341e-09% change) large trace change predicted (8.64022e-09%) linmin: converged after 4 iterations. iteration 847: trace = 2.485865202542741 (8.64015e-09% change) linmin: converged after 8 iterations. iteration 848: trace = 2.485865202467049 (3.04489e-09% change) linmin: converged after 4 iterations. iteration 849: trace = 2.485865202324093 (5.75073e-09% change) linmin: converged after 4 iterations. iteration 850: trace = 2.485865202136429 (7.54926e-09% change) linmin: converged after 4 iterations. iteration 851: trace = 2.485865202063151 (2.9478e-09% change) linmin: converged after 4 iterations. iteration 852: trace = 2.485865201916832 (5.88602e-09% change) linmin: converged after 36 iterations. iteration 853: trace = 2.485865201719041 (7.95661e-09% change) linmin: converged after 3 iterations. iteration 854: trace = 2.48586520160303 (4.66685e-09% change) linmin: converged after 4 iterations. iteration 855: trace = 2.485865201522344 (3.2458e-09% change) large trace change predicted (9.49741e-09%) linmin: converged after 4 iterations. iteration 856: trace = 2.485865201286249 (9.4975e-09% change) linmin: converged after 25 iterations. iteration 857: trace = 2.485865201174299 (4.50346e-09% change) linmin: converged after 10 iterations. iteration 858: trace = 2.48586520109472 (3.20124e-09% change) linmin: converged after 19 iterations. iteration 859: trace = 2.485865200981267 (4.56392e-09% change) linmin: converged after 4 iterations. iteration 860: trace = 2.485865200916747 (2.59549e-09% change) linmin: converged after 5 iterations. iteration 861: trace = 2.485865200849259 (2.71484e-09% change) linmin: converged after 15 iterations. iteration 862: trace = 2.485865200718574 (5.25715e-09% change) linmin: converged after 3 iterations. iteration 863: trace = 2.485865200638832 (3.2078e-09% change) linmin: converged after 4 iterations. iteration 864: trace = 2.485865200558919 (3.21471e-09% change) linmin: converged after 4 iterations. iteration 865: trace = 2.485865200411697 (5.92234e-09% change) linmin: converged after 4 iterations. iteration 866: trace = 2.48586520028927 (4.92496e-09% change) linmin: converged after 25 iterations. iteration 867: trace = 2.485865200240234 (1.97257e-09% change) large trace change predicted (7.01101e-09%) linmin: converged after 13 iterations. iteration 868: trace = 2.485865200065955 (7.01079e-09% change) linmin: converged after 4 iterations. iteration 869: trace = 2.485865199934836 (5.27459e-09% change) linmin: converged after 16 iterations. iteration 870: trace = 2.485865199890833 (1.77015e-09% change) linmin: converged after 4 iterations. iteration 871: trace = 2.485865199814926 (3.05354e-09% change) linmin: converged after 21 iterations. iteration 872: trace = 2.485865199681697 (5.35944e-09% change) linmin: converged after 4 iterations. iteration 873: trace = 2.485865199636535 (1.81676e-09% change) large trace change predicted (4.18242e-09%) linmin: converged after 4 iterations. iteration 874: trace = 2.485865199532565 (4.18245e-09% change) linmin: converged after 5 iterations. iteration 875: trace = 2.485865199443655 (3.57663e-09% change) linmin: converged after 10 iterations. iteration 876: trace = 2.485865199402514 (1.65499e-09% change) large trace change predicted (3.5557e-09%) linmin: converged after 3 iterations. iteration 877: trace = 2.485865199314126 (3.55562e-09% change) linmin: converged after 3 iterations. iteration 878: trace = 2.485865199229332 (3.41104e-09% change) linmin: converged after 21 iterations. iteration 879: trace = 2.485865199200734 (1.15044e-09% change) linmin: converged after 9 iterations. iteration 880: trace = 2.485865199156711 (1.77092e-09% change) linmin: converged after 16 iterations. iteration 881: trace = 2.48586519909115 (2.63736e-09% change) linmin: converged after 5 iterations. iteration 882: trace = 2.48586519906895 (8.9305e-10% change) large trace change predicted (3.83822e-09%) linmin: converged after 3 iterations. iteration 883: trace = 2.48586519897354 (3.83808e-09% change) linmin: converged after 4 iterations. iteration 884: trace = 2.485865198901119 (2.91332e-09% change) linmin: converged after 3 iterations. iteration 885: trace = 2.485865198861212 (1.60535e-09% change) large trace change predicted (3.68247e-09%) linmin: converged after 6 iterations. iteration 886: trace = 2.485865198769671 (3.68246e-09% change) linmin: converged after 4 iterations. iteration 887: trace = 2.485865198706022 (2.56044e-09% change) linmin: converged after 2 iterations. iteration 888: trace = 2.485865198656273 (2.00128e-09% change) linmin: converged after 2 iterations. iteration 889: trace = 2.485865198614059 (1.69817e-09% change) large trace change predicted (3.805e-09%) linmin: converged after 7 iterations. iteration 890: trace = 2.485865198519475 (3.80487e-09% change) linmin: converged after 6 iterations. iteration 891: trace = 2.485865198489881 (1.19051e-09% change) large trace change predicted (3.10238e-09%) linmin: converged after 21 iterations. iteration 892: trace = 2.48586519841276 (3.10236e-09% change) linmin: converged after 4 iterations. iteration 893: trace = 2.485865198303793 (4.38345e-09% change) linmin: converged after 12 iterations. iteration 894: trace = 2.485865198269464 (1.381e-09% change) large trace change predicted (2.81361e-09%) linmin: converged after 8 iterations. iteration 895: trace = 2.485865198199524 (2.81349e-09% change) linmin: converged after 2 iterations. iteration 896: trace = 2.485865198136266 (2.5447e-09% change) linmin: converged after 8 iterations. iteration 897: trace = 2.485865198118605 (7.10474e-10% change) linmin: converged after 4 iterations. iteration 898: trace = 2.485865198095173 (9.42588e-10% change) linmin: converged after 2 iterations. iteration 899: trace = 2.485865198049976 (1.81818e-09% change) linmin: converged after 4 iterations. iteration 900: trace = 2.485865198011751 (1.53768e-09% change) linmin: converged after 4 iterations. iteration 901: trace = 2.485865197997444 (5.75525e-10% change) large trace change predicted (1.29855e-09%) linmin: converged after 6 iterations. iteration 902: trace = 2.485865197965164 (1.29854e-09% change) linmin: converged after 4 iterations. iteration 903: trace = 2.485865197929426 (1.43765e-09% change) linmin: converged after 5 iterations. iteration 904: trace = 2.485865197915947 (5.42226e-10% change) large trace change predicted (2.17089e-09%) linmin: converged after 3 iterations. iteration 905: trace = 2.485865197861982 (2.17087e-09% change) linmin: converged after 3 iterations. iteration 906: trace = 2.485865197821792 (1.61676e-09% change) linmin: converged after 4 iterations. iteration 907: trace = 2.485865197805183 (6.68135e-10% change) large trace change predicted (1.59801e-09%) linmin: converged after 2 iterations. iteration 908: trace = 2.485865197765459 (1.598e-09% change) linmin: converged after 6 iterations. iteration 909: trace = 2.485865197749646 (6.36086e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.485865197740856 (3.53611e-10% change) large trace change predicted (1.7187e-09%) linmin: converged after 10 iterations. iteration 911: trace = 2.485865197698129 (1.71879e-09% change) linmin: converged after 9 iterations. iteration 912: trace = 2.48586519768293 (6.11415e-10% change) large trace change predicted (1.2979e-09%) linmin: converged after 6 iterations. iteration 913: trace = 2.485865197650669 (1.29781e-09% change) linmin: converged after 6 iterations. iteration 914: trace = 2.485865197605567 (1.81433e-09% change) linmin: converged after 4 iterations. iteration 915: trace = 2.485865197587486 (7.27356e-10% change) linmin: converged after 6 iterations. iteration 916: trace = 2.485865197563741 (9.55201e-10% change) linmin: converged after 9 iterations. iteration 917: trace = 2.48586519753317 (1.22978e-09% change) linmin: converged after 12 iterations. iteration 918: trace = 2.485865197523846 (3.75102e-10% change) large trace change predicted (1.24119e-09%) linmin: converged after 3 iterations. iteration 919: trace = 2.485865197492994 (1.24109e-09% change) linmin: converged after 4 iterations. iteration 920: trace = 2.485865197465914 (1.08936e-09% change) linmin: converged after 13 iterations. iteration 921: trace = 2.48586519745559 (4.15316e-10% change) large trace change predicted (1.615e-09%) linmin: converged after 12 iterations. iteration 922: trace = 2.48586519741544 (1.6151e-09% change) linmin: converged after 8 iterations. iteration 923: trace = 2.485865197376865 (1.55181e-09% change) linmin: converged after 2 iterations. iteration 924: trace = 2.485865197352932 (9.62758e-10% change) linmin: converged after 3 iterations. iteration 925: trace = 2.485865197324163 (1.1573e-09% change) large trace change predicted (2.85902e-09%) linmin: converged after 4 iterations. iteration 926: trace = 2.48586519725309 (2.85906e-09% change) linmin: converged after 5 iterations. iteration 927: trace = 2.48586519721596 (1.49364e-09% change) linmin: converged after 2 iterations. iteration 928: trace = 2.485865197160825 (2.21798e-09% change) linmin: converged after 10 iterations. iteration 929: trace = 2.48586519711066 (2.01798e-09% change) linmin: converged after 10 iterations. iteration 930: trace = 2.485865197080857 (1.19893e-09% change) linmin: converged after 4 iterations. iteration 931: trace = 2.485865197051823 (1.16793e-09% change) linmin: converged after 6 iterations. iteration 932: trace = 2.485865197001735 (2.01491e-09% change) linmin: converged after 2 iterations. iteration 933: trace = 2.485865196989136 (5.06854e-10% change) large trace change predicted (1.47688e-09%) linmin: converged after 2 iterations. iteration 934: trace = 2.485865196952425 (1.47679e-09% change) linmin: converged after 4 iterations. iteration 935: trace = 2.485865196902827 (1.99517e-09% change) linmin: converged after 7 iterations. iteration 936: trace = 2.485865196851753 (2.05459e-09% change) linmin: converged after 8 iterations. iteration 937: trace = 2.48586519684065 (4.4665e-10% change) large trace change predicted (1.59611e-09%) linmin: converged after 5 iterations. iteration 938: trace = 2.485865196800973 (1.59611e-09% change) linmin: converged after 6 iterations. iteration 939: trace = 2.485865196776445 (9.86678e-10% change) linmin: converged after 4 iterations. iteration 940: trace = 2.485865196763301 (5.28756e-10% change) large trace change predicted (1.395e-09%) linmin: converged after 21 iterations. iteration 941: trace = 2.485865196728622 (1.39504e-09% change) linmin: converged after 5 iterations. iteration 942: trace = 2.485865196692836 (1.4396e-09% change) linmin: converged after 9 iterations. iteration 943: trace = 2.485865196678822 (5.63734e-10% change) large trace change predicted (1.92272e-09%) linmin: converged after 6 iterations. iteration 944: trace = 2.485865196631027 (1.92266e-09% change) linmin: converged after 3 iterations. iteration 945: trace = 2.48586519659087 (1.61544e-09% change) linmin: converged after 15 iterations. iteration 946: trace = 2.485865196573469 (7.00005e-10% change) linmin: converged after 5 iterations. iteration 947: trace = 2.485865196541856 (1.27171e-09% change) linmin: converged after 4 iterations. iteration 948: trace = 2.485865196492666 (1.97879e-09% change) linmin: converged after 5 iterations. iteration 949: trace = 2.485865196483128 (3.8366e-10% change) large trace change predicted (2.18476e-09%) linmin: converged after 15 iterations. iteration 950: trace = 2.485865196428817 (2.18482e-09% change) linmin: converged after 11 iterations. iteration 951: trace = 2.485865196387631 (1.65678e-09% change) linmin: converged after 19 iterations. iteration 952: trace = 2.485865196357544 (1.21036e-09% change) linmin: converged after 16 iterations. iteration 953: trace = 2.485865196334749 (9.16971e-10% change) large trace change predicted (2.17164e-09%) linmin: converged after 22 iterations. iteration 954: trace = 2.485865196280763 (2.17172e-09% change) linmin: converged after 13 iterations. iteration 955: trace = 2.485865196250781 (1.20607e-09% change) linmin: converged after 18 iterations. iteration 956: trace = 2.485865196239367 (4.59173e-10% change) large trace change predicted (1.57246e-09%) linmin: converged after 22 iterations. iteration 957: trace = 2.485865196200279 (1.5724e-09% change) linmin: converged after 15 iterations. iteration 958: trace = 2.485865196180975 (7.76537e-10% change) linmin: converged after 5 iterations. iteration 959: trace = 2.485865196166794 (5.70487e-10% change) large trace change predicted (1.32415e-09%) linmin: converged after 5 iterations. iteration 960: trace = 2.48586519613388 (1.32403e-09% change) linmin: converged after 10 iterations. iteration 961: trace = 2.485865196123907 (4.01203e-10% change) large trace change predicted (1.03782e-09%) linmin: converged after 9 iterations. iteration 962: trace = 2.485865196098107 (1.03786e-09% change) linmin: converged after 4 iterations. iteration 963: trace = 2.485865196065699 (1.3037e-09% change) linmin: converged after 4 iterations. iteration 964: trace = 2.485865196026463 (1.57834e-09% change) linmin: converged after 4 iterations. iteration 965: trace = 2.485865196003387 (9.28297e-10% change) linmin: converged after 10 iterations. iteration 966: trace = 2.485865195962528 (1.64367e-09% change) linmin: converged after 18 iterations. iteration 967: trace = 2.48586519593037 (1.29363e-09% change) linmin: converged after 16 iterations. iteration 968: trace = 2.485865195908953 (8.61537e-10% change) linmin: converged after 13 iterations. iteration 969: trace = 2.485865195894268 (5.90746e-10% change) large trace change predicted (1.52047e-09%) linmin: converged after 11 iterations. iteration 970: trace = 2.485865195856473 (1.5204e-09% change) linmin: converged after 11 iterations. iteration 971: trace = 2.485865195837264 (7.7275e-10% change) linmin: converged after 3 iterations. iteration 972: trace = 2.485865195826727 (4.23855e-10% change) large trace change predicted (1.22732e-09%) linmin: converged after 27 iterations. iteration 973: trace = 2.485865195796214 (1.22746e-09% change) linmin: converged after 10 iterations. iteration 974: trace = 2.485865195786945 (3.72869e-10% change) large trace change predicted (8.918e-10%) linmin: converged after 24 iterations. iteration 975: trace = 2.485865195764775 (8.91835e-10% change) linmin: converged after 9 iterations. iteration 976: trace = 2.485865195744029 (8.34561e-10% change) linmin: converged after 16 iterations. iteration 977: trace = 2.485865195735534 (3.41749e-10% change) large trace change predicted (1.63922e-09%) linmin: converged after 2 iterations. iteration 978: trace = 2.485865195694783 (1.63931e-09% change) large trace change predicted (8.61993e-09%) linmin: converged after 3 iterations. iteration 979: trace = 2.485865195480502 (8.62e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.485865195380866 (4.0081e-09% change) linmin: converged after 3 iterations. iteration 981: trace = 2.485865195310908 (2.81422e-09% change) linmin: converged after 4 iterations. iteration 982: trace = 2.485865195298332 (5.05889e-10% change) linmin: converged after 4 iterations. iteration 983: trace = 2.485865195284529 (5.55285e-10% change) linmin: converged after 6 iterations. iteration 984: trace = 2.485865195271472 (5.25218e-10% change) linmin: converged after 14 iterations. iteration 985: trace = 2.485865195264631 (2.75222e-10% change) linmin: converged after 6 iterations. iteration 986: trace = 2.485865195255348 (3.73405e-10% change) linmin: converged after 7 iterations. iteration 987: trace = 2.485865195237387 (7.22533e-10% change) linmin: converged after 3 iterations. iteration 988: trace = 2.485865195233441 (1.58727e-10% change) large trace change predicted (5.35532e-10%) linmin: converged after 15 iterations. iteration 989: trace = 2.485865195220129 (5.35526e-10% change) linmin: converged after 15 iterations. iteration 990: trace = 2.485865195207084 (5.24754e-10% change) linmin: converged after 10 iterations. iteration 991: trace = 2.485865195202752 (1.74269e-10% change) large trace change predicted (6.40452e-10%) linmin: converged after 15 iterations. iteration 992: trace = 2.485865195186831 (6.40463e-10% change) linmin: converged after 15 iterations. iteration 993: trace = 2.485865195173564 (5.33722e-10% change) linmin: converged after 6 iterations. iteration 994: trace = 2.485865195164523 (3.63687e-10% change) linmin: converged after 10 iterations. iteration 995: trace = 2.485865195155359 (3.68635e-10% change) linmin: converged after 22 iterations. iteration 996: trace = 2.485865195137432 (7.21139e-10% change) linmin: converged after 10 iterations. iteration 997: trace = 2.485865195133312 (1.65765e-10% change) large trace change predicted (5.98067e-10%) linmin: converged after 21 iterations. iteration 998: trace = 2.485865195118446 (5.97999e-10% change) linmin: converged after 12 iterations. iteration 999: trace = 2.485865195107226 (4.51348e-10% change) linmin: converged after 3 iterations. iteration 1000: trace = 2.485865195103003 (1.69892e-10% change) large trace change predicted (3.59476e-10%) linmin: converged after 16 iterations. iteration 1001: trace = 2.485865195094067 (3.59489e-10% change) linmin: converged after 3 iterations. iteration 1002: trace = 2.485865195084453 (3.86714e-10% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.485865195079111 (2.14911e-10% change) linmin: converged after 5 iterations. iteration 1004: trace = 2.485865195070572 (3.435e-10% change) linmin: converged after 4 iterations. iteration 1005: trace = 2.485865195059299 (4.53474e-10% change) linmin: converged after 4 iterations. iteration 1006: trace = 2.485865195048942 (4.16638e-10% change) linmin: converged after 9 iterations. iteration 1007: trace = 2.48586519504509 (1.54975e-10% change) large trace change predicted (5.72838e-10%) linmin: converged after 4 iterations. iteration 1008: trace = 2.485865195030848 (5.72899e-10% change) linmin: converged after 3 iterations. iteration 1009: trace = 2.485865195025054 (2.33097e-10% change) linmin: converged after 5 iterations. iteration 1010: trace = 2.485865195018233 (2.744e-10% change) linmin: converged after 8 iterations. iteration 1011: trace = 2.485865195008758 (3.81141e-10% change) linmin: converged after 4 iterations. iteration 1012: trace = 2.485865194997796 (4.40987e-10% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.485865194994954 (1.14333e-10% change) large trace change predicted (4.19174e-10%) linmin: converged after 7 iterations. iteration 1014: trace = 2.485865194984537 (4.19049e-10% change) linmin: converged after 6 iterations. iteration 1015: trace = 2.485865194977043 (3.01429e-10% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.485865194971785 (2.11534e-10% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.485865194964899 (2.77008e-10% change) linmin: converged after 4 iterations. iteration 1018: trace = 2.485865194956525 (3.36854e-10% change) linmin: converged after 6 iterations. iteration 1019: trace = 2.485865194954441 (8.38206e-11% change) Finished solving for bands 1 to 10 after 1019 iterations. tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894 elapsed time for k point: 8.567003726959229 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. iteration 1: trace = 2.624860657444398 (2.69642% change) linmin: converged after 4 iterations. iteration 2: trace = 2.610953324994328 (0.531239% change) linmin: converged after 4 iterations. iteration 3: trace = 2.601889621169397 (0.347745% change) linmin: converged after 4 iterations. iteration 4: trace = 2.600356646247478 (0.0589351% change) large trace change predicted (0.133101%) linmin: converged after 4 iterations. iteration 5: trace = 2.596948849867374 (0.131137% change) linmin: converged after 4 iterations. iteration 6: trace = 2.596372064805613 (0.0222126% change) linmin: converged after 3 iterations. iteration 7: trace = 2.595542927897237 (0.0319395% change) linmin: converged after 4 iterations. iteration 8: trace = 2.595152374510337 (0.0150482% change) linmin: converged after 4 iterations. iteration 9: trace = 2.594847404885622 (0.0117522% change) linmin: converged after 4 iterations. iteration 10: trace = 2.594454447741832 (0.0151449% change) linmin: converged after 4 iterations. iteration 11: trace = 2.594326308669367 (0.00493908% change) large trace change predicted (0.0216469%) linmin: converged after 4 iterations. iteration 12: trace = 2.593777335123011 (0.0211628% change) linmin: converged after 4 iterations. iteration 13: trace = 2.593512013071509 (0.0102297% change) linmin: converged after 4 iterations. iteration 14: trace = 2.593177865792837 (0.0128848% change) linmin: converged after 4 iterations. iteration 15: trace = 2.592759591436514 (0.0161311% change) linmin: converged after 4 iterations. iteration 16: trace = 2.592616495656834 (0.00551921% change) large trace change predicted (0.023475%) linmin: converged after 8 iterations. iteration 17: trace = 2.592031022028394 (0.0225849% change) linmin: converged after 4 iterations. iteration 18: trace = 2.59183881548556 (0.00741556% change) linmin: converged after 4 iterations. iteration 19: trace = 2.591510395488983 (0.0126721% change) linmin: converged after 5 iterations. iteration 20: trace = 2.591143472008585 (0.0141597% change) linmin: converged after 4 iterations. iteration 21: trace = 2.591058362290834 (0.00328469% change) large trace change predicted (0.0106647%) linmin: converged after 4 iterations. iteration 22: trace = 2.590787445825455 (0.0104564% change) linmin: converged after 4 iterations. iteration 23: trace = 2.590682179684191 (0.00406318% change) linmin: converged after 4 iterations. iteration 24: trace = 2.590536674665397 (0.00561663% change) linmin: converged after 4 iterations. iteration 25: trace = 2.590316049918632 (0.00851693% change) linmin: converged after 4 iterations. iteration 26: trace = 2.590262712828229 (0.00205912% change) large trace change predicted (0.00488962%) linmin: converged after 4 iterations. iteration 27: trace = 2.590136056658688 (0.00488982% change) linmin: converged after 3 iterations. iteration 28: trace = 2.590064081920008 (0.00277884% change) linmin: converged after 3 iterations. iteration 29: trace = 2.589966977982653 (0.00374916% change) linmin: converged after 3 iterations. iteration 30: trace = 2.589846952045266 (0.00463437% change) linmin: converged after 3 iterations. iteration 31: trace = 2.589779713799327 (0.00259626% change) linmin: converged after 3 iterations. iteration 32: trace = 2.589656148768881 (0.00477137% change) linmin: converged after 3 iterations. iteration 33: trace = 2.589592222492429 (0.00246855% change) large trace change predicted (0.00587392%) linmin: converged after 3 iterations. iteration 34: trace = 2.58943868885607 (0.00592905% change) linmin: converged after 3 iterations. iteration 35: trace = 2.589299359937044 (0.00538081% change) linmin: converged after 3 iterations. iteration 36: trace = 2.589151546670612 (0.00570878% change) linmin: converged after 4 iterations. iteration 37: trace = 2.588877287495618 (0.0105932% change) linmin: converged after 3 iterations. iteration 38: trace = 2.588758826838513 (0.00457586% change) large trace change predicted (0.0103829%) linmin: converged after 3 iterations. iteration 39: trace = 2.588487137598281 (0.0104955% change) linmin: converged after 3 iterations. iteration 40: trace = 2.588238477463922 (0.00960685% change) linmin: converged after 3 iterations. iteration 41: trace = 2.588129337514486 (0.00421685% change) large trace change predicted (0.00966144%) linmin: converged after 3 iterations. iteration 42: trace = 2.587877763590856 (0.00972077% change) linmin: converged after 3 iterations. iteration 43: trace = 2.587755089809354 (0.00474044% change) linmin: converged after 3 iterations. iteration 44: trace = 2.587559763088374 (0.0075484% change) linmin: converged after 3 iterations. iteration 45: trace = 2.587201412270447 (0.0138499% change) linmin: converged after 3 iterations. iteration 46: trace = 2.587078625716444 (0.00474603% change) large trace change predicted (0.0134465%) linmin: converged after 3 iterations. iteration 47: trace = 2.586730779580112 (0.0134464% change) linmin: converged after 3 iterations. iteration 48: trace = 2.586416677216178 (0.0121436% change) linmin: converged after 4 iterations. iteration 49: trace = 2.586172564541082 (0.0094387% change) linmin: converged after 4 iterations. iteration 50: trace = 2.585801897293217 (0.0143337% change) linmin: converged after 3 iterations. iteration 51: trace = 2.585704546876046 (0.00376488% change) large trace change predicted (0.00796064%) linmin: converged after 4 iterations. iteration 52: trace = 2.585499754810095 (0.00792048% change) linmin: converged after 4 iterations. iteration 53: trace = 2.585309102943152 (0.00737416% change) linmin: converged after 4 iterations. iteration 54: trace = 2.585225653328603 (0.00322789% change) large trace change predicted (0.00857994%) linmin: converged after 4 iterations. iteration 55: trace = 2.58500537722372 (0.00852094% change) linmin: converged after 4 iterations. iteration 56: trace = 2.584916458740381 (0.00343984% change) linmin: converged after 4 iterations. iteration 57: trace = 2.584748111302744 (0.0065129% change) linmin: converged after 4 iterations. iteration 58: trace = 2.584504284515206 (0.00943374% change) linmin: converged after 4 iterations. iteration 59: trace = 2.584418705703339 (0.00331128% change) large trace change predicted (0.00842828%) linmin: converged after 4 iterations. iteration 60: trace = 2.584201815731018 (0.00839257% change) linmin: converged after 4 iterations. iteration 61: trace = 2.584099141053601 (0.00397325% change) linmin: converged after 3 iterations. iteration 62: trace = 2.583934358439061 (0.00637699% change) linmin: converged after 4 iterations. iteration 63: trace = 2.583709117768531 (0.00871735% change) linmin: converged after 4 iterations. iteration 64: trace = 2.583615279669869 (0.00363198% change) large trace change predicted (0.00904956%) linmin: converged after 4 iterations. iteration 65: trace = 2.583383030980548 (0.00898969% change) linmin: converged after 4 iterations. iteration 66: trace = 2.583261867954656 (0.0046902% change) linmin: converged after 4 iterations. iteration 67: trace = 2.583112554586477 (0.0057802% change) linmin: converged after 4 iterations. iteration 68: trace = 2.582958454725462 (0.00596584% change) linmin: converged after 6 iterations. iteration 69: trace = 2.582869898246245 (0.00342855% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.582791283889869 (0.00304373% change) linmin: converged after 5 iterations. iteration 71: trace = 2.582689744209822 (0.00393147% change) linmin: converged after 3 iterations. iteration 72: trace = 2.582487344019194 (0.00783711% change) linmin: converged after 4 iterations. iteration 73: trace = 2.582430457572128 (0.0022028% change) large trace change predicted (0.00655094%) linmin: converged after 3 iterations. iteration 74: trace = 2.582260887881654 (0.0065665% change) linmin: converged after 3 iterations. iteration 75: trace = 2.582142980085108 (0.00456617% change) linmin: converged after 3 iterations. iteration 76: trace = 2.582089125320038 (0.00208568% change) linmin: converged after 3 iterations. iteration 77: trace = 2.58198944932938 (0.00386036% change) linmin: converged after 3 iterations. iteration 78: trace = 2.58194945116086 (0.00154913% change) linmin: converged after 3 iterations. iteration 79: trace = 2.581896477308379 (0.00205172% change) linmin: converged after 3 iterations. iteration 80: trace = 2.581814650966695 (0.00316928% change) linmin: converged after 4 iterations. iteration 81: trace = 2.581795133875173 (0.000755948% change) large trace change predicted (0.00246214%) linmin: converged after 3 iterations. iteration 82: trace = 2.581731398762597 (0.00246867% change) linmin: converged after 3 iterations. iteration 83: trace = 2.58167987346304 (0.00199579% change) linmin: converged after 3 iterations. iteration 84: trace = 2.581660431325718 (0.000753084% change) large trace change predicted (0.0022678%) linmin: converged after 3 iterations. iteration 85: trace = 2.581601750028335 (0.00227303% change) linmin: converged after 3 iterations. iteration 86: trace = 2.581512409884697 (0.00346071% change) linmin: converged after 3 iterations. iteration 87: trace = 2.581471275825583 (0.00159342% change) large trace change predicted (0.00460164%) linmin: converged after 3 iterations. iteration 88: trace = 2.581352182994358 (0.00461348% change) linmin: converged after 3 iterations. iteration 89: trace = 2.581296892688224 (0.00214194% change) linmin: converged after 3 iterations. iteration 90: trace = 2.581194672433724 (0.00396011% change) linmin: converged after 3 iterations. iteration 91: trace = 2.581064534121345 (0.00504191% change) linmin: converged after 4 iterations. iteration 92: trace = 2.58103879067474 (0.000997401% change) large trace change predicted (0.00403908%) linmin: converged after 16 iterations. iteration 93: trace = 2.580934670132716 (0.00403414% change) linmin: converged after 5 iterations. iteration 94: trace = 2.580892543647282 (0.00163223% change) linmin: converged after 4 iterations. iteration 95: trace = 2.580844807207762 (0.00184963% change) linmin: converged after 4 iterations. iteration 96: trace = 2.580750264376087 (0.00366332% change) linmin: converged after 3 iterations. iteration 97: trace = 2.580717916046825 (0.00125345% change) large trace change predicted (0.00303787%) linmin: converged after 6 iterations. iteration 98: trace = 2.58063969606942 (0.00303098% change) linmin: converged after 4 iterations. iteration 99: trace = 2.580586921966533 (0.00204502% change) linmin: converged after 4 iterations. iteration 100: trace = 2.580568719281255 (0.000705372% change) large trace change predicted (0.00145523%) linmin: converged after 4 iterations. iteration 101: trace = 2.580531234955007 (0.00145257% change) linmin: converged after 20 iterations. iteration 102: trace = 2.580515873601728 (0.00059528% change) linmin: converged after 4 iterations. iteration 103: trace = 2.580499665390553 (0.000628102% change) linmin: converged after 7 iterations. iteration 104: trace = 2.5804738941213 (0.000998698% change) linmin: converged after 3 iterations. iteration 105: trace = 2.580463088660485 (0.00041874% change) large trace change predicted (0.00115897%) linmin: converged after 4 iterations. iteration 106: trace = 2.580433222769202 (0.00115739% change) linmin: converged after 6 iterations. iteration 107: trace = 2.580404878630592 (0.00109843% change) linmin: converged after 3 iterations. iteration 108: trace = 2.580391255549352 (0.000527945% change) large trace change predicted (0.00162418%) linmin: converged after 5 iterations. iteration 109: trace = 2.580349416150665 (0.00162145% change) linmin: converged after 6 iterations. iteration 110: trace = 2.580298851149196 (0.00195964% change) linmin: converged after 4 iterations. iteration 111: trace = 2.580288563859734 (0.000398687% change) large trace change predicted (0.00143959%) linmin: converged after 5 iterations. iteration 112: trace = 2.580251458649525 (0.00143804% change) linmin: converged after 3 iterations. iteration 113: trace = 2.580236913294601 (0.00056372% change) linmin: converged after 4 iterations. iteration 114: trace = 2.58021013568223 (0.0010378% change) linmin: converged after 3 iterations. iteration 115: trace = 2.580157606216286 (0.00203588% change) linmin: converged after 4 iterations. iteration 116: trace = 2.580144732078875 (0.000498968% change) large trace change predicted (0.00229942%) linmin: converged after 3 iterations. iteration 117: trace = 2.580085343526398 (0.00230178% change) linmin: converged after 3 iterations. iteration 118: trace = 2.580043142878056 (0.00163564% change) linmin: converged after 3 iterations. iteration 119: trace = 2.580026198424646 (0.000656753% change) large trace change predicted (0.00241367%) linmin: converged after 3 iterations. iteration 120: trace = 2.579963831871476 (0.00241731% change) linmin: converged after 3 iterations. iteration 121: trace = 2.579916529139641 (0.00183348% change) linmin: converged after 3 iterations. iteration 122: trace = 2.579904068728688 (0.000482978% change) large trace change predicted (0.00145144%) linmin: converged after 3 iterations. iteration 123: trace = 2.579866580502305 (0.0014531% change) linmin: converged after 4 iterations. iteration 124: trace = 2.57984755203891 (0.000737578% change) linmin: converged after 3 iterations. iteration 125: trace = 2.57981631925165 (0.00121065% change) linmin: converged after 4 iterations. iteration 126: trace = 2.579774460755521 (0.00162255% change) linmin: converged after 3 iterations. iteration 127: trace = 2.579757160004375 (0.000670633% change) large trace change predicted (0.00192692%) linmin: converged after 3 iterations. iteration 128: trace = 2.579707451549806 (0.00192688% change) linmin: converged after 4 iterations. iteration 129: trace = 2.579655882173126 (0.00199906% change) linmin: converged after 5 iterations. iteration 130: trace = 2.579638097400106 (0.000689427% change) large trace change predicted (0.00175717%) linmin: converged after 4 iterations. iteration 131: trace = 2.579592848580715 (0.00175409% change) linmin: converged after 4 iterations. iteration 132: trace = 2.579574042794405 (0.000729024% change) linmin: converged after 3 iterations. iteration 133: trace = 2.579568060257632 (0.00023192% change) large trace change predicted (0.00172045%) linmin: converged after 3 iterations. iteration 134: trace = 2.579523651934156 (0.00172156% change) linmin: converged after 3 iterations. iteration 135: trace = 2.579512030876582 (0.000450513% change) linmin: converged after 3 iterations. iteration 136: trace = 2.579493212543738 (0.000729533% change) linmin: converged after 3 iterations. iteration 137: trace = 2.579467290316428 (0.00100494% change) linmin: converged after 4 iterations. iteration 138: trace = 2.57945943003668 (0.000304725% change) large trace change predicted (0.00115311%) linmin: converged after 4 iterations. iteration 139: trace = 2.57942970403997 (0.00115242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.57941531781194 (0.000557731% change) linmin: converged after 4 iterations. iteration 141: trace = 2.579409085611241 (0.000241613% change) large trace change predicted (0.000491984%) linmin: converged after 7 iterations. iteration 142: trace = 2.57939639909439 (0.000491839% change) linmin: converged after 8 iterations. iteration 143: trace = 2.579388279752569 (0.000314777% change) linmin: converged after 3 iterations. iteration 144: trace = 2.579378552243709 (0.000377125% change) linmin: converged after 6 iterations. iteration 145: trace = 2.579359280246058 (0.000747159% change) linmin: converged after 3 iterations. iteration 146: trace = 2.579354515401984 (0.00018473% change) large trace change predicted (0.000506411%) linmin: converged after 8 iterations. iteration 147: trace = 2.579341463515056 (0.000506015% change) linmin: converged after 3 iterations. iteration 148: trace = 2.579328541119657 (0.000500997% change) linmin: converged after 4 iterations. iteration 149: trace = 2.57932162514439 (0.000268131% change) large trace change predicted (0.000612082%) linmin: converged after 3 iterations. iteration 150: trace = 2.579305838842733 (0.000612035% change) linmin: converged after 4 iterations. iteration 151: trace = 2.579296842491273 (0.00034879% change) linmin: converged after 3 iterations. iteration 152: trace = 2.579281595299001 (0.000591139% change) linmin: converged after 3 iterations. iteration 153: trace = 2.579262706042798 (0.000732348% change) linmin: converged after 4 iterations. iteration 154: trace = 2.579256466669243 (0.000241906% change) linmin: converged after 3 iterations. iteration 155: trace = 2.579244843842047 (0.000450628% change) linmin: converged after 3 iterations. iteration 156: trace = 2.579229499928375 (0.000594901% change) linmin: converged after 3 iterations. iteration 157: trace = 2.579225833301723 (0.00014216% change) large trace change predicted (0.000598052%) linmin: converged after 3 iterations. iteration 158: trace = 2.579210415829566 (0.000597758% change) linmin: converged after 3 iterations. iteration 159: trace = 2.579202872192492 (0.000292479% change) linmin: converged after 4 iterations. iteration 160: trace = 2.579194300329114 (0.000332346% change) linmin: converged after 3 iterations. iteration 161: trace = 2.579183234090278 (0.000429059% change) linmin: converged after 4 iterations. iteration 162: trace = 2.579177076317421 (0.000238749% change) linmin: converged after 6 iterations. iteration 163: trace = 2.579166583113692 (0.000406844% change) linmin: converged after 4 iterations. iteration 164: trace = 2.579150734762379 (0.000614478% change) linmin: converged after 3 iterations. iteration 165: trace = 2.579146892212581 (0.000148985% change) linmin: converged after 4 iterations. iteration 166: trace = 2.57913979939759 (0.000275007% change) linmin: converged after 4 iterations. iteration 167: trace = 2.579132919663073 (0.000266746% change) linmin: converged after 3 iterations. iteration 168: trace = 2.579130516362208 (9.31826e-05% change) large trace change predicted (0.000322816%) linmin: converged after 4 iterations. iteration 169: trace = 2.579122187050981 (0.000322951% change) linmin: converged after 3 iterations. iteration 170: trace = 2.579118803416007 (0.000131193% change) linmin: converged after 5 iterations. iteration 171: trace = 2.579114488093516 (0.000167318% change) linmin: converged after 3 iterations. iteration 172: trace = 2.579109064924683 (0.000210273% change) linmin: converged after 3 iterations. iteration 173: trace = 2.579106377122808 (0.000104214% change) linmin: converged after 10 iterations. iteration 174: trace = 2.579102879185829 (0.000135626% change) linmin: converged after 3 iterations. iteration 175: trace = 2.579097659114828 (0.000202399% change) linmin: converged after 3 iterations. iteration 176: trace = 2.579096401364937 (4.87671e-05% change) large trace change predicted (0.000221842%) linmin: converged after 3 iterations. iteration 177: trace = 2.579090674800652 (0.000222038% change) linmin: converged after 5 iterations. iteration 178: trace = 2.57908711058793 (0.000138197% change) linmin: converged after 4 iterations. iteration 179: trace = 2.579085264975734 (7.15607e-05% change) large trace change predicted (0.0002399%) linmin: converged after 3 iterations. iteration 180: trace = 2.579079074886856 (0.000240011% change) linmin: converged after 4 iterations. iteration 181: trace = 2.579076160976077 (0.000112983% change) linmin: converged after 3 iterations. iteration 182: trace = 2.579070757367755 (0.000209517% change) linmin: converged after 5 iterations. iteration 183: trace = 2.579062133148039 (0.000334393% change) linmin: converged after 3 iterations. iteration 184: trace = 2.579059574506094 (9.92083e-05% change) large trace change predicted (0.000233903%) linmin: converged after 3 iterations. iteration 185: trace = 2.579053541116616 (0.000233938% change) linmin: converged after 3 iterations. iteration 186: trace = 2.579045849975904 (0.000298216% change) linmin: converged after 4 iterations. iteration 187: trace = 2.579042501920684 (0.000129818% change) large trace change predicted (0.000302901%) linmin: converged after 5 iterations. iteration 188: trace = 2.579034692894698 (0.000302788% change) linmin: converged after 6 iterations. iteration 189: trace = 2.57903160921061 (0.000119567% change) linmin: converged after 4 iterations. iteration 190: trace = 2.579028621117473 (0.000115861% change) linmin: converged after 4 iterations. iteration 191: trace = 2.579022655294933 (0.000231321% change) linmin: converged after 13 iterations. iteration 192: trace = 2.579020981637274 (6.48951e-05% change) large trace change predicted (0.000179232%) linmin: converged after 18 iterations. iteration 193: trace = 2.579016363199398 (0.000179077% change) linmin: converged after 4 iterations. iteration 194: trace = 2.579010486487007 (0.000227867% change) linmin: converged after 3 iterations. iteration 195: trace = 2.579008983950309 (5.82602e-05% change) large trace change predicted (0.000143654%) linmin: converged after 14 iterations. iteration 196: trace = 2.57900528157252 (0.000143558% change) linmin: converged after 4 iterations. iteration 197: trace = 2.579001661777413 (0.000140356% change) linmin: converged after 5 iterations. iteration 198: trace = 2.579000216716951 (5.60318e-05% change) large trace change predicted (0.000143719%) linmin: converged after 12 iterations. iteration 199: trace = 2.578996512510935 (0.00014363% change) linmin: converged after 8 iterations. iteration 200: trace = 2.578994965206936 (5.99964e-05% change) large trace change predicted (0.000123383%) linmin: converged after 4 iterations. iteration 201: trace = 2.578991784702916 (0.000123323% change) linmin: converged after 3 iterations. iteration 202: trace = 2.578988673799553 (0.000120625% change) linmin: converged after 4 iterations. iteration 203: trace = 2.578987041775699 (6.32816e-05% change) linmin: converged after 3 iterations. iteration 204: trace = 2.578984245324334 (0.000108432% change) linmin: converged after 4 iterations. iteration 205: trace = 2.578979948552923 (0.000166607% change) linmin: converged after 4 iterations. iteration 206: trace = 2.578978759476258 (4.61065e-05% change) large trace change predicted (0.000159393%) linmin: converged after 4 iterations. iteration 207: trace = 2.578974647851428 (0.000159429% change) linmin: converged after 3 iterations. iteration 208: trace = 2.578972419690169 (8.63972e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.578970571015978 (7.16826e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.57896902314753 (6.00189e-05% change) linmin: converged after 2 iterations. iteration 211: trace = 2.578967699428833 (5.13275e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.578965531619185 (8.40573e-05% change) linmin: converged after 9 iterations. iteration 213: trace = 2.578964903233052 (2.43658e-05% change) large trace change predicted (8.68719e-05%) linmin: converged after 3 iterations. iteration 214: trace = 2.578962661795469 (8.69123e-05% change) linmin: converged after 4 iterations. iteration 215: trace = 2.578960794964922 (7.23869e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.578959973956169 (3.18349e-05% change) large trace change predicted (7.41753e-05%) linmin: converged after 3 iterations. iteration 217: trace = 2.57895806063757 (7.41896e-05% change) linmin: converged after 5 iterations. iteration 218: trace = 2.578956698729991 (5.28085e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.578955032234949 (6.4619e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.578953249304644 (6.91339e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.578952763190909 (1.88493e-05% change) large trace change predicted (5.94239e-05%) linmin: converged after 5 iterations. iteration 222: trace = 2.578951230285838 (5.94391e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.5789495749286 (6.41872e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.578948997883961 (2.23752e-05% change) large trace change predicted (7.62976e-05%) linmin: converged after 4 iterations. iteration 225: trace = 2.578947029685699 (7.63179e-05% change) linmin: converged after 4 iterations. iteration 226: trace = 2.578944779675347 (8.72453e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.578944139618348 (2.48186e-05% change) large trace change predicted (0.000104966%) linmin: converged after 4 iterations. iteration 228: trace = 2.57894143165448 (0.000105003% change) linmin: converged after 3 iterations. iteration 229: trace = 2.578940084552484 (5.22347e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.578938669210328 (5.48808e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.578936271851268 (9.29592e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.578935689729847 (2.25722e-05% change) large trace change predicted (8.28239e-05%) linmin: converged after 2 iterations. iteration 233: trace = 2.578933553755356 (8.28239e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.578932277588847 (4.94843e-05% change) linmin: converged after 5 iterations. iteration 235: trace = 2.578931558308749 (2.78906e-05% change) large trace change predicted (6.9119e-05%) linmin: converged after 3 iterations. iteration 236: trace = 2.578929775938617 (6.91128e-05% change) linmin: converged after 7 iterations. iteration 237: trace = 2.578927681915258 (8.11974e-05% change) linmin: converged after 2 iterations. iteration 238: trace = 2.578927307360245 (1.45237e-05% change) large trace change predicted (7.6634e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.578925332207012 (7.65882e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.578924470717827 (3.3405e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.578923849846243 (2.40748e-05% change) large trace change predicted (4.95985e-05%) linmin: converged after 3 iterations. iteration 242: trace = 2.57892257127596 (4.95777e-05% change) linmin: converged after 7 iterations. iteration 243: trace = 2.578922283815265 (1.11465e-05% change) large trace change predicted (3.21426e-05%) linmin: converged after 5 iterations. iteration 244: trace = 2.578921455034727 (3.21367e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.578920602831324 (3.3045e-05% change) linmin: converged after 2 iterations. iteration 246: trace = 2.578920339575498 (1.0208e-05% change) large trace change predicted (3.17353e-05%) linmin: converged after 5 iterations. iteration 247: trace = 2.578919521243326 (3.17316e-05% change) linmin: converged after 3 iterations. iteration 248: trace = 2.578918601641423 (3.56584e-05% change) linmin: converged after 2 iterations. iteration 249: trace = 2.578918151881921 (1.74399e-05% change) large trace change predicted (5.12963e-05%) linmin: converged after 3 iterations. iteration 250: trace = 2.578916829132448 (5.12909e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.578916299272354 (2.05458e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.57891562054581 (2.63183e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.578914731096893 (3.44893e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.578913679451401 (4.07786e-05% change) linmin: converged after 4 iterations. iteration 255: trace = 2.578913266686216 (1.60054e-05% change) large trace change predicted (5.40277e-05%) linmin: converged after 3 iterations. iteration 256: trace = 2.578911873026465 (5.40406e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.578911480189724 (1.52327e-05% change) large trace change predicted (3.39854e-05%) linmin: converged after 3 iterations. iteration 258: trace = 2.578910603653624 (3.39886e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.578909348090638 (4.86858e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.578909011721332 (1.30431e-05% change) large trace change predicted (6.38916e-05%) linmin: converged after 4 iterations. iteration 261: trace = 2.578907363961063 (6.38937e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.578906388890173 (3.78095e-05% change) linmin: converged after 4 iterations. iteration 263: trace = 2.578905971315756 (1.61919e-05% change) large trace change predicted (3.76844e-05%) linmin: converged after 4 iterations. iteration 264: trace = 2.578904999335657 (3.76896e-05% change) linmin: converged after 3 iterations. iteration 265: trace = 2.578904108376322 (3.4548e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.578903851990263 (9.94167e-06% change) large trace change predicted (4.4242e-05%) linmin: converged after 5 iterations. iteration 267: trace = 2.578902711252484 (4.42334e-05% change) linmin: converged after 4 iterations. iteration 268: trace = 2.578902248812526 (1.79317e-05% change) linmin: converged after 4 iterations. iteration 269: trace = 2.578901705804483 (2.10558e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.578900843404065 (3.34406e-05% change) linmin: converged after 7 iterations. iteration 271: trace = 2.578900645666602 (7.66751e-06% change) large trace change predicted (2.45719e-05%) linmin: converged after 8 iterations. iteration 272: trace = 2.578900011973643 (2.45722e-05% change) linmin: converged after 4 iterations. iteration 273: trace = 2.578899334407352 (2.62735e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.578899123706742 (8.17018e-06% change) large trace change predicted (2.61149e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.578898450209252 (2.61157e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.578898213822447 (9.16619e-06% change) linmin: converged after 14 iterations. iteration 277: trace = 2.578897848535566 (1.41645e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.578897259488174 (2.28411e-05% change) linmin: converged after 4 iterations. iteration 279: trace = 2.578896697811086 (2.17797e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.578896241973919 (1.76757e-05% change) linmin: converged after 4 iterations. iteration 281: trace = 2.578895843061092 (1.54684e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.578895612515214 (8.93971e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.57889544199031 (6.61232e-06% change) large trace change predicted (1.71937e-05%) linmin: converged after 4 iterations. iteration 284: trace = 2.578894998612311 (1.71926e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.57889486052752 (5.35442e-06% change) large trace change predicted (1.5317e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.57889446553857 (1.53162e-05% change) linmin: converged after 3 iterations. iteration 287: trace = 2.578894068100964 (1.54112e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.578893959325635 (4.21791e-06% change) large trace change predicted (1.5865e-05%) linmin: converged after 3 iterations. iteration 289: trace = 2.578893550266271 (1.58618e-05% change) linmin: converged after 4 iterations. iteration 290: trace = 2.578893308053489 (9.39212e-06% change) linmin: converged after 3 iterations. iteration 291: trace = 2.578893087859599 (8.53831e-06% change) linmin: converged after 3 iterations. iteration 292: trace = 2.578892655646249 (1.67596e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.578892511129264 (5.60384e-06% change) large trace change predicted (1.17002e-05%) linmin: converged after 4 iterations. iteration 294: trace = 2.578892209452875 (1.16979e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.578891800121638 (1.58724e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.57889160628186 (7.5164e-06% change) linmin: converged after 5 iterations. iteration 297: trace = 2.578891228850099 (1.46354e-05% change) linmin: converged after 13 iterations. iteration 298: trace = 2.578890717163789 (1.98413e-05% change) linmin: converged after 2 iterations. iteration 299: trace = 2.578890539719477 (6.88065e-06% change) linmin: converged after 4 iterations. iteration 300: trace = 2.578890290483081 (9.66448e-06% change) linmin: converged after 3 iterations. iteration 301: trace = 2.578889961525526 (1.27558e-05% change) linmin: converged after 4 iterations. iteration 302: trace = 2.578889887795748 (2.85897e-06% change) large trace change predicted (1.27063e-05%) linmin: converged after 3 iterations. iteration 303: trace = 2.578889560151664 (1.27049e-05% change) linmin: converged after 3 iterations. iteration 304: trace = 2.578889337352475 (8.63935e-06% change) linmin: converged after 2 iterations. iteration 305: trace = 2.578889244576347 (3.59752e-06% change) large trace change predicted (9.01151e-06%) linmin: converged after 4 iterations. iteration 306: trace = 2.578889012208811 (9.01037e-06% change) linmin: converged after 2 iterations. iteration 307: trace = 2.578888788603815 (8.67059e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.578888709944779 (3.05011e-06% change) large trace change predicted (1.0041e-05%) linmin: converged after 3 iterations. iteration 309: trace = 2.578888450987346 (1.00414e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.578888326266121 (4.83624e-06% change) linmin: converged after 2 iterations. iteration 311: trace = 2.578888201279482 (4.84653e-06% change) linmin: converged after 3 iterations. iteration 312: trace = 2.578888028533574 (6.69846e-06% change) linmin: converged after 4 iterations. iteration 313: trace = 2.578887961707215 (2.59129e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.57888784886548 (4.3756e-06% change) linmin: converged after 4 iterations. iteration 315: trace = 2.578887685046229 (6.35232e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.578887643012387 (1.62992e-06% change) large trace change predicted (6.51603e-06%) linmin: converged after 5 iterations. iteration 317: trace = 2.578887474954171 (6.51669e-06% change) linmin: converged after 4 iterations. iteration 318: trace = 2.578887311670011 (6.33157e-06% change) linmin: converged after 10 iterations. iteration 319: trace = 2.57888724960782 (2.40655e-06% change) large trace change predicted (1.01267e-05%) linmin: converged after 3 iterations. iteration 320: trace = 2.578886988427016 (1.01277e-05% change) linmin: converged after 3 iterations. iteration 321: trace = 2.578886935954951 (2.03468e-06% change) large trace change predicted (7.67331e-06%) linmin: converged after 3 iterations. iteration 322: trace = 2.578886738058058 (7.67373e-06% change) linmin: converged after 2 iterations. iteration 323: trace = 2.578886588366594 (5.8045e-06% change) linmin: converged after 3 iterations. iteration 324: trace = 2.578886529103038 (2.29803e-06% change) large trace change predicted (6.21405e-06%) linmin: converged after 5 iterations. iteration 325: trace = 2.578886368852701 (6.21394e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.578886158990578 (8.1377e-06% change) linmin: converged after 3 iterations. iteration 327: trace = 2.578886035712026 (4.7803e-06% change) linmin: converged after 4 iterations. iteration 328: trace = 2.578885939372719 (3.73569e-06% change) linmin: converged after 4 iterations. iteration 329: trace = 2.578885788817776 (5.83798e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.578885732387192 (2.18818e-06% change) large trace change predicted (6.23893e-06%) linmin: converged after 4 iterations. iteration 331: trace = 2.578885571515369 (6.23804e-06% change) linmin: converged after 3 iterations. iteration 332: trace = 2.578885448289417 (4.77826e-06% change) linmin: converged after 5 iterations. iteration 333: trace = 2.578885392876492 (2.14872e-06% change) large trace change predicted (5.54789e-06%) linmin: converged after 11 iterations. iteration 334: trace = 2.578885249821361 (5.54717e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.578885206103884 (1.69521e-06% change) linmin: converged after 4 iterations. iteration 336: trace = 2.578885136710719 (2.69082e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.578885050046726 (3.36052e-06% change) linmin: converged after 5 iterations. iteration 338: trace = 2.578884959998245 (3.49176e-06% change) linmin: converged after 7 iterations. iteration 339: trace = 2.578884938076271 (8.50056e-07% change) large trace change predicted (4.49268e-06%) linmin: converged after 5 iterations. iteration 340: trace = 2.57888482222907 (4.49214e-06% change) linmin: converged after 3 iterations. iteration 341: trace = 2.578884771013445 (1.98596e-06% change) linmin: converged after 8 iterations. iteration 342: trace = 2.578884704013924 (2.598e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.578884608043694 (3.72139e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.578884568228974 (1.54387e-06% change) large trace change predicted (3.5061e-06%) linmin: converged after 3 iterations. iteration 345: trace = 2.578884477813926 (3.50598e-06% change) linmin: converged after 32 iterations. iteration 346: trace = 2.57888440816081 (2.7009e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.578884377325902 (1.19567e-06% change) large trace change predicted (2.95992e-06%) linmin: converged after 2 iterations. iteration 348: trace = 2.578884300992386 (2.95994e-06% change) linmin: converged after 4 iterations. iteration 349: trace = 2.578884199370362 (3.94054e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.578884116659355 (3.20724e-06% change) linmin: converged after 15 iterations. iteration 351: trace = 2.578884058645616 (2.24957e-06% change) linmin: converged after 2 iterations. iteration 352: trace = 2.578884036464944 (8.60088e-07% change) large trace change predicted (2.03024e-06%) linmin: converged after 17 iterations. iteration 353: trace = 2.578883984105725 (2.03031e-06% change) linmin: converged after 2 iterations. iteration 354: trace = 2.578883927608765 (2.19075e-06% change) linmin: converged after 5 iterations. iteration 355: trace = 2.57888390014904 (1.06479e-06% change) large trace change predicted (2.37462e-06%) linmin: converged after 3 iterations. iteration 356: trace = 2.578883838906447 (2.37477e-06% change) linmin: converged after 2 iterations. iteration 357: trace = 2.5788837970657 (1.62244e-06% change) linmin: converged after 30 iterations. iteration 358: trace = 2.57888376807427 (1.12419e-06% change) linmin: converged after 3 iterations. iteration 359: trace = 2.578883713670522 (2.10959e-06% change) linmin: converged after 3 iterations. iteration 360: trace = 2.578883701399795 (4.75815e-07% change) large trace change predicted (1.552e-06%) linmin: converged after 3 iterations. iteration 361: trace = 2.578883661374154 (1.55205e-06% change) linmin: converged after 2 iterations. iteration 362: trace = 2.578883615165985 (1.79179e-06% change) linmin: converged after 2 iterations. iteration 363: trace = 2.578883599986654 (5.88601e-07% change) large trace change predicted (1.47467e-06%) linmin: converged after 21 iterations. iteration 364: trace = 2.578883561955101 (1.47473e-06% change) linmin: converged after 3 iterations. iteration 365: trace = 2.578883499786162 (2.41069e-06% change) linmin: converged after 6 iterations. iteration 366: trace = 2.578883473259338 (1.02862e-06% change) large trace change predicted (2.16324e-06%) linmin: converged after 3 iterations. iteration 367: trace = 2.57888341746973 (2.16332e-06% change) linmin: converged after 12 iterations. iteration 368: trace = 2.578883362803683 (2.11976e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.578883331312625 (1.22111e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.578883278096646 (2.06353e-06% change) linmin: converged after 2 iterations. iteration 371: trace = 2.578883232301224 (1.77579e-06% change) linmin: converged after 4 iterations. iteration 372: trace = 2.578883193866086 (1.49038e-06% change) linmin: converged after 3 iterations. iteration 373: trace = 2.578883128458537 (2.53627e-06% change) linmin: converged after 6 iterations. iteration 374: trace = 2.578883113782989 (5.69066e-07% change) large trace change predicted (1.66165e-06%) linmin: converged after 5 iterations. iteration 375: trace = 2.578883070932626 (1.66159e-06% change) linmin: converged after 11 iterations. iteration 376: trace = 2.578883018716562 (2.02476e-06% change) linmin: converged after 6 iterations. iteration 377: trace = 2.578882970182465 (1.88198e-06% change) linmin: converged after 9 iterations. iteration 378: trace = 2.578882952350625 (6.91456e-07% change) large trace change predicted (2.05739e-06%) linmin: converged after 3 iterations. iteration 379: trace = 2.578882899296014 (2.05727e-06% change) linmin: converged after 10 iterations. iteration 380: trace = 2.578882881506566 (6.89812e-07% change) linmin: converged after 4 iterations. iteration 381: trace = 2.578882853475612 (1.08694e-06% change) linmin: converged after 27 iterations. iteration 382: trace = 2.578882815943033 (1.45538e-06% change) linmin: converged after 5 iterations. iteration 383: trace = 2.578882806889427 (3.51067e-07% change) large trace change predicted (1.06703e-06%) linmin: converged after 4 iterations. iteration 384: trace = 2.578882779372916 (1.06699e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.578882755527427 (9.24644e-07% change) linmin: converged after 3 iterations. iteration 386: trace = 2.578882744525212 (4.26627e-07% change) large trace change predicted (1.01891e-06%) linmin: converged after 3 iterations. iteration 387: trace = 2.578882718249225 (1.01889e-06% change) linmin: converged after 2 iterations. iteration 388: trace = 2.578882703063015 (5.88868e-07% change) linmin: converged after 4 iterations. iteration 389: trace = 2.578882679998177 (8.94373e-07% change) linmin: converged after 17 iterations. iteration 390: trace = 2.578882640629375 (1.52658e-06% change) linmin: converged after 4 iterations. iteration 391: trace = 2.578882633940746 (2.59362e-07% change) large trace change predicted (1.42673e-06%) linmin: converged after 4 iterations. iteration 392: trace = 2.578882597146995 (1.42673e-06% change) linmin: converged after 2 iterations. iteration 393: trace = 2.578882569518502 (1.07134e-06% change) linmin: converged after 3 iterations. iteration 394: trace = 2.578882553965367 (6.03096e-07% change) linmin: converged after 2 iterations. iteration 395: trace = 2.578882530776598 (8.99179e-07% change) linmin: converged after 5 iterations. iteration 396: trace = 2.578882500050447 (1.19145e-06% change) linmin: converged after 6 iterations. iteration 397: trace = 2.578882489042851 (4.26836e-07% change) large trace change predicted (1.115e-06%) linmin: converged after 3 iterations. iteration 398: trace = 2.578882460288019 (1.11501e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.578882432897072 (1.06212e-06% change) linmin: converged after 4 iterations. iteration 400: trace = 2.578882421877958 (4.27283e-07% change) large trace change predicted (1.64314e-06%) linmin: converged after 2 iterations. iteration 401: trace = 2.578882379502339 (1.64318e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.578882367864802 (4.51263e-07% change) large trace change predicted (1.12085e-06%) linmin: converged after 8 iterations. iteration 403: trace = 2.578882338957688 (1.12092e-06% change) linmin: converged after 5 iterations. iteration 404: trace = 2.578882310266573 (1.11254e-06% change) linmin: converged after 2 iterations. iteration 405: trace = 2.578882300352086 (3.84449e-07% change) linmin: converged after 2 iterations. iteration 406: trace = 2.578882283079114 (6.69785e-07% change) linmin: converged after 3 iterations. iteration 407: trace = 2.578882259177726 (9.26812e-07% change) linmin: converged after 5 iterations. iteration 408: trace = 2.578882247956715 (4.35111e-07% change) linmin: converged after 3 iterations. iteration 409: trace = 2.57888223444814 (5.23815e-07% change) linmin: converged after 3 iterations. iteration 410: trace = 2.578882212189181 (8.63124e-07% change) linmin: converged after 12 iterations. iteration 411: trace = 2.578882206515553 (2.20003e-07% change) large trace change predicted (6.59205e-07%) linmin: converged after 2 iterations. iteration 412: trace = 2.578882189515412 (6.59206e-07% change) linmin: converged after 16 iterations. iteration 413: trace = 2.578882167133094 (8.67908e-07% change) linmin: converged after 20 iterations. iteration 414: trace = 2.578882162543898 (1.77953e-07% change) large trace change predicted (7.20905e-07%) linmin: converged after 13 iterations. iteration 415: trace = 2.578882143952733 (7.209e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.578882138199545 (2.23088e-07% change) linmin: converged after 2 iterations. iteration 417: trace = 2.578882128500576 (3.76092e-07% change) linmin: converged after 2 iterations. iteration 418: trace = 2.578882115845795 (4.90708e-07% change) linmin: converged after 20 iterations. iteration 419: trace = 2.57888211063133 (2.02199e-07% change) resetting CG direction... linmin: converged after 16 iterations. iteration 420: trace = 2.578882105624677 (1.9414e-07% change) large trace change predicted (4.22431e-07%) linmin: converged after 3 iterations. iteration 421: trace = 2.578882094730754 (4.22428e-07% change) linmin: converged after 3 iterations. iteration 422: trace = 2.57888208676304 (3.0896e-07% change) linmin: converged after 9 iterations. iteration 423: trace = 2.578882082194057 (1.77169e-07% change) large trace change predicted (5.53253e-07%) linmin: converged after 3 iterations. iteration 424: trace = 2.578882067926347 (5.53252e-07% change) linmin: converged after 6 iterations. iteration 425: trace = 2.57888206455133 (1.30871e-07% change) large trace change predicted (5.55757e-07%) linmin: converged after 4 iterations. iteration 426: trace = 2.578882050219244 (5.55748e-07% change) linmin: converged after 22 iterations. iteration 427: trace = 2.578882039301253 (4.23361e-07% change) linmin: converged after 29 iterations. iteration 428: trace = 2.578882035916876 (1.31234e-07% change) large trace change predicted (4.92629e-07%) linmin: converged after 16 iterations. iteration 429: trace = 2.578882023212756 (4.92621e-07% change) linmin: converged after 2 iterations. iteration 430: trace = 2.578882016030413 (2.78506e-07% change) linmin: converged after 4 iterations. iteration 431: trace = 2.57888201061992 (2.098e-07% change) large trace change predicted (4.41943e-07%) linmin: converged after 5 iterations. iteration 432: trace = 2.578881999222959 (4.41934e-07% change) linmin: converged after 9 iterations. iteration 433: trace = 2.578881990164549 (3.51253e-07% change) linmin: converged after 3 iterations. iteration 434: trace = 2.578881985954999 (1.63232e-07% change) large trace change predicted (4.93198e-07%) linmin: converged after 5 iterations. iteration 435: trace = 2.578881973236215 (4.9319e-07% change) linmin: converged after 20 iterations. iteration 436: trace = 2.578881962807785 (4.04378e-07% change) linmin: converged after 4 iterations. iteration 437: trace = 2.578881957293434 (2.13827e-07% change) large trace change predicted (5.69584e-07%) linmin: converged after 20 iterations. iteration 438: trace = 2.57888194260472 (5.69577e-07% change) linmin: converged after 3 iterations. iteration 439: trace = 2.578881938537754 (1.57703e-07% change) large trace change predicted (3.27811e-07%) linmin: converged after 8 iterations. iteration 440: trace = 2.578881930083957 (3.27809e-07% change) linmin: converged after 10 iterations. iteration 441: trace = 2.578881920162149 (3.84733e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.578881912464808 (2.98476e-07% change) linmin: converged after 11 iterations. iteration 443: trace = 2.578881908075124 (1.70217e-07% change) linmin: converged after 4 iterations. iteration 444: trace = 2.578881900367723 (2.98866e-07% change) linmin: converged after 3 iterations. iteration 445: trace = 2.57888189572206 (1.80143e-07% change) linmin: converged after 3 iterations. iteration 446: trace = 2.578881890744253 (1.93022e-07% change) linmin: converged after 2 iterations. iteration 447: trace = 2.578881881909399 (3.42585e-07% change) linmin: converged after 4 iterations. iteration 448: trace = 2.578881880018332 (7.33289e-08% change) large trace change predicted (2.81432e-07%) linmin: converged after 3 iterations. iteration 449: trace = 2.578881872760469 (2.81434e-07% change) linmin: converged after 2 iterations. iteration 450: trace = 2.57888186673831 (2.33518e-07% change) linmin: converged after 4 iterations. iteration 451: trace = 2.5788818639563 (1.07877e-07% change) linmin: converged after 4 iterations. iteration 452: trace = 2.578881859993886 (1.53649e-07% change) linmin: converged after 9 iterations. iteration 453: trace = 2.578881854783525 (2.0204e-07% change) linmin: converged after 4 iterations. iteration 454: trace = 2.578881853007518 (6.88673e-08% change) large trace change predicted (1.52945e-07%) linmin: converged after 4 iterations. iteration 455: trace = 2.578881849063212 (1.52946e-07% change) linmin: converged after 16 iterations. iteration 456: trace = 2.578881843086535 (2.31755e-07% change) linmin: converged after 7 iterations. iteration 457: trace = 2.57888183978997 (1.27829e-07% change) linmin: converged after 7 iterations. iteration 458: trace = 2.578881835958173 (1.48584e-07% change) linmin: converged after 3 iterations. iteration 459: trace = 2.578881828467651 (2.90456e-07% change) linmin: converged after 3 iterations. iteration 460: trace = 2.578881827035234 (5.55441e-08% change) large trace change predicted (2.62877e-07%) linmin: converged after 4 iterations. iteration 461: trace = 2.578881820255876 (2.6288e-07% change) linmin: converged after 3 iterations. iteration 462: trace = 2.578881817775461 (9.61818e-08% change) linmin: converged after 3 iterations. iteration 463: trace = 2.578881814346596 (1.32959e-07% change) linmin: converged after 4 iterations. iteration 464: trace = 2.578881808577203 (2.23717e-07% change) linmin: converged after 12 iterations. iteration 465: trace = 2.578881805941811 (1.02191e-07% change) linmin: converged after 4 iterations. iteration 466: trace = 2.578881801060249 (1.8929e-07% change) linmin: converged after 5 iterations. iteration 467: trace = 2.578881795843017 (2.02306e-07% change) linmin: converged after 7 iterations. iteration 468: trace = 2.578881794179496 (6.45055e-08% change) large trace change predicted (1.59521e-07%) linmin: converged after 4 iterations. iteration 469: trace = 2.57888179006568 (1.59519e-07% change) linmin: converged after 4 iterations. iteration 470: trace = 2.578881784015823 (2.34592e-07% change) linmin: converged after 5 iterations. iteration 471: trace = 2.578881781443343 (9.97518e-08% change) linmin: converged after 9 iterations. iteration 472: trace = 2.578881778556654 (1.11936e-07% change) linmin: converged after 3 iterations. iteration 473: trace = 2.578881774866784 (1.4308e-07% change) linmin: converged after 5 iterations. iteration 474: trace = 2.578881773660004 (4.67947e-08% change) linmin: converged after 13 iterations. iteration 475: trace = 2.578881771567481 (8.11407e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.578881768884465 (1.04038e-07% change) linmin: converged after 14 iterations. iteration 477: trace = 2.578881768221123 (2.57221e-08% change) large trace change predicted (9.21641e-08%) linmin: converged after 14 iterations. iteration 478: trace = 2.578881765844351 (9.21629e-08% change) linmin: converged after 5 iterations. iteration 479: trace = 2.578881763287353 (9.91514e-08% change) linmin: converged after 6 iterations. iteration 480: trace = 2.578881762435282 (3.30404e-08% change) large trace change predicted (1.04227e-07%) linmin: converged after 4 iterations. iteration 481: trace = 2.578881759747437 (1.04225e-07% change) linmin: converged after 7 iterations. iteration 482: trace = 2.578881756528326 (1.24826e-07% change) linmin: converged after 4 iterations. iteration 483: trace = 2.578881755828173 (2.71495e-08% change) large trace change predicted (1.25791e-07%) linmin: converged after 4 iterations. iteration 484: trace = 2.578881752584197 (1.2579e-07% change) linmin: converged after 2 iterations. iteration 485: trace = 2.578881750817801 (6.84947e-08% change) linmin: converged after 3 iterations. iteration 486: trace = 2.578881749817505 (3.8788e-08% change) large trace change predicted (1.0013e-07%) linmin: converged after 3 iterations. iteration 487: trace = 2.578881747235278 (1.0013e-07% change) large trace change predicted (2.43235e-07%) linmin: converged after 6 iterations. iteration 488: trace = 2.57888174096231 (2.43244e-07% change) large trace change predicted (6.32619e-07%) linmin: converged after 5 iterations. iteration 489: trace = 2.578881724647273 (6.3264e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.578881718426556 (2.41218e-07% change) linmin: converged after 4 iterations. iteration 491: trace = 2.578881716780178 (6.38408e-08% change) linmin: converged after 7 iterations. iteration 492: trace = 2.578881714248487 (9.81701e-08% change) linmin: converged after 5 iterations. iteration 493: trace = 2.578881712980371 (4.91731e-08% change) linmin: converged after 7 iterations. iteration 494: trace = 2.578881712148531 (3.22558e-08% change) linmin: converged after 7 iterations. iteration 495: trace = 2.578881710508369 (6.35997e-08% change) linmin: converged after 5 iterations. iteration 496: trace = 2.578881710055911 (1.75447e-08% change) linmin: converged after 4 iterations. iteration 497: trace = 2.578881709201378 (3.31358e-08% change) linmin: converged after 5 iterations. iteration 498: trace = 2.578881708396628 (3.12054e-08% change) linmin: converged after 5 iterations. iteration 499: trace = 2.578881708040746 (1.37999e-08% change) large trace change predicted (4.78392e-08%) linmin: converged after 4 iterations. iteration 500: trace = 2.578881706807022 (4.78395e-08% change) linmin: converged after 6 iterations. iteration 501: trace = 2.578881705319007 (5.77e-08% change) linmin: converged after 10 iterations. iteration 502: trace = 2.578881704844703 (1.83918e-08% change) large trace change predicted (4.39255e-08%) linmin: converged after 15 iterations. iteration 503: trace = 2.578881703711909 (4.39258e-08% change) linmin: converged after 8 iterations. iteration 504: trace = 2.578881702842232 (3.3723e-08% change) linmin: converged after 4 iterations. iteration 505: trace = 2.578881702605541 (9.17805e-09% change) large trace change predicted (5.31418e-08%) linmin: converged after 4 iterations. iteration 506: trace = 2.578881701235065 (5.31423e-08% change) linmin: converged after 4 iterations. iteration 507: trace = 2.578881699599157 (6.34348e-08% change) linmin: converged after 4 iterations. iteration 508: trace = 2.578881698862904 (2.85493e-08% change) large trace change predicted (6.56085e-08%) linmin: converged after 4 iterations. iteration 509: trace = 2.578881697170931 (6.56088e-08% change) linmin: converged after 24 iterations. iteration 510: trace = 2.57888169666101 (1.9773e-08% change) linmin: converged after 3 iterations. iteration 511: trace = 2.578881695920174 (2.8727e-08% change) linmin: converged after 2 iterations. iteration 512: trace = 2.578881694668283 (4.85439e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.578881693905658 (2.95719e-08% change) linmin: converged after 12 iterations. iteration 514: trace = 2.578881693429598 (1.84599e-08% change) linmin: converged after 5 iterations. iteration 515: trace = 2.578881692567755 (3.34193e-08% change) linmin: converged after 4 iterations. iteration 516: trace = 2.578881692083071 (1.87943e-08% change) linmin: converged after 4 iterations. iteration 517: trace = 2.578881691498053 (2.26849e-08% change) linmin: converged after 6 iterations. iteration 518: trace = 2.578881690786688 (2.75843e-08% change) linmin: converged after 7 iterations. iteration 519: trace = 2.578881690544526 (9.39019e-09% change) large trace change predicted (3.33005e-08%) linmin: converged after 9 iterations. iteration 520: trace = 2.578881689685758 (3.33e-08% change) linmin: converged after 4 iterations. iteration 521: trace = 2.578881688906706 (3.02089e-08% change) linmin: converged after 7 iterations. iteration 522: trace = 2.578881688428924 (1.85267e-08% change) linmin: converged after 8 iterations. iteration 523: trace = 2.578881688124509 (1.18041e-08% change) large trace change predicted (3.26334e-08%) linmin: converged after 6 iterations. iteration 524: trace = 2.578881687282942 (3.2633e-08% change) linmin: converged after 3 iterations. iteration 525: trace = 2.578881687040559 (9.39876e-09% change) large trace change predicted (1.94505e-08%) linmin: converged after 8 iterations. iteration 526: trace = 2.578881686538957 (1.94504e-08% change) linmin: converged after 28 iterations. iteration 527: trace = 2.578881685941983 (2.31485e-08% change) linmin: converged after 7 iterations. iteration 528: trace = 2.578881685700483 (9.36451e-09% change) large trace change predicted (3.7376e-08%) linmin: converged after 7 iterations. iteration 529: trace = 2.578881684736602 (3.7376e-08% change) linmin: converged after 4 iterations. iteration 530: trace = 2.578881683860251 (3.39818e-08% change) linmin: converged after 6 iterations. iteration 531: trace = 2.578881683598155 (1.01632e-08% change) large trace change predicted (2.16464e-08%) linmin: converged after 5 iterations. iteration 532: trace = 2.578881683039921 (2.16463e-08% change) linmin: converged after 4 iterations. iteration 533: trace = 2.578881682597069 (1.71723e-08% change) linmin: converged after 23 iterations. iteration 534: trace = 2.578881682325931 (1.05138e-08% change) large trace change predicted (3.5112e-08%) linmin: converged after 3 iterations. iteration 535: trace = 2.578881681420434 (3.5112e-08% change) linmin: converged after 19 iterations. iteration 536: trace = 2.578881680759065 (2.56456e-08% change) linmin: converged after 26 iterations. iteration 537: trace = 2.578881680517772 (9.35651e-09% change) large trace change predicted (2.50835e-08%) linmin: converged after 4 iterations. iteration 538: trace = 2.5788816798709 (2.50834e-08% change) linmin: converged after 5 iterations. iteration 539: trace = 2.578881679263183 (2.35651e-08% change) linmin: converged after 4 iterations. iteration 540: trace = 2.578881679054399 (8.09592e-09% change) large trace change predicted (2.08287e-08%) linmin: converged after 7 iterations. iteration 541: trace = 2.578881678517249 (2.08288e-08% change) linmin: converged after 5 iterations. iteration 542: trace = 2.578881678158877 (1.38964e-08% change) linmin: converged after 11 iterations. iteration 543: trace = 2.578881677940108 (8.4831e-09% change) linmin: converged after 7 iterations. iteration 544: trace = 2.578881677524349 (1.61217e-08% change) linmin: converged after 6 iterations. iteration 545: trace = 2.578881677206355 (1.23307e-08% change) linmin: converged after 4 iterations. iteration 546: trace = 2.578881676968276 (9.23187e-09% change) large trace change predicted (1.86965e-08%) linmin: converged after 4 iterations. iteration 547: trace = 2.578881676486112 (1.86966e-08% change) linmin: converged after 4 iterations. iteration 548: trace = 2.578881676296866 (7.3383e-09% change) linmin: converged after 13 iterations. iteration 549: trace = 2.578881676070456 (8.77942e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.578881675728816 (1.32476e-08% change) linmin: converged after 3 iterations. iteration 551: trace = 2.578881675497678 (8.96271e-09% change) linmin: converged after 3 iterations. iteration 552: trace = 2.578881675242907 (9.87914e-09% change) linmin: converged after 6 iterations. iteration 553: trace = 2.57888167487022 (1.44515e-08% change) linmin: converged after 19 iterations. iteration 554: trace = 2.578881674776116 (3.64902e-09% change) large trace change predicted (8.65085e-09%) linmin: converged after 21 iterations. iteration 555: trace = 2.578881674553021 (8.65086e-09% change) linmin: converged after 11 iterations. iteration 556: trace = 2.57888167437303 (6.97939e-09% change) linmin: converged after 4 iterations. iteration 557: trace = 2.578881674323784 (1.90959e-09% change) large trace change predicted (1.07489e-08%) linmin: converged after 4 iterations. iteration 558: trace = 2.578881674046585 (1.07488e-08% change) linmin: converged after 4 iterations. iteration 559: trace = 2.578881673624115 (1.63819e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.578881673512144 (4.34184e-09% change) linmin: converged after 4 iterations. iteration 561: trace = 2.578881673295886 (8.38573e-09% change) linmin: converged after 7 iterations. iteration 562: trace = 2.578881673157047 (5.3837e-09% change) linmin: converged after 7 iterations. iteration 563: trace = 2.578881673066309 (3.51849e-09% change) linmin: converged after 5 iterations. iteration 564: trace = 2.578881672932382 (5.19322e-09% change) linmin: converged after 19 iterations. iteration 565: trace = 2.578881672734481 (7.67392e-09% change) linmin: converged after 6 iterations. iteration 566: trace = 2.578881672675247 (2.29689e-09% change) large trace change predicted (7.54241e-09%) linmin: converged after 20 iterations. iteration 567: trace = 2.578881672480739 (7.54234e-09% change) linmin: converged after 4 iterations. iteration 568: trace = 2.578881672331461 (5.78846e-09% change) linmin: converged after 5 iterations. iteration 569: trace = 2.578881672236288 (3.69047e-09% change) large trace change predicted (9.53334e-09%) linmin: converged after 4 iterations. iteration 570: trace = 2.578881671990434 (9.53337e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.578881671914584 (2.94118e-09% change) large trace change predicted (7.29543e-09%) linmin: converged after 12 iterations. iteration 572: trace = 2.578881671726443 (7.29547e-09% change) linmin: converged after 21 iterations. iteration 573: trace = 2.578881671543017 (7.11262e-09% change) linmin: converged after 3 iterations. iteration 574: trace = 2.578881671473154 (2.70905e-09% change) large trace change predicted (6.57549e-09%) linmin: converged after 12 iterations. iteration 575: trace = 2.57888167130358 (6.57547e-09% change) linmin: converged after 7 iterations. iteration 576: trace = 2.578881671088701 (8.33226e-09% change) linmin: converged after 5 iterations. iteration 577: trace = 2.578881671032781 (2.16837e-09% change) large trace change predicted (1.09121e-08%) linmin: converged after 4 iterations. iteration 578: trace = 2.578881670751375 (1.09119e-08% change) linmin: converged after 12 iterations. iteration 579: trace = 2.578881670591658 (6.19327e-09% change) linmin: converged after 4 iterations. iteration 580: trace = 2.578881670513216 (3.04169e-09% change) large trace change predicted (1.04119e-08%) linmin: converged after 20 iterations. iteration 581: trace = 2.578881670244702 (1.0412e-08% change) linmin: converged after 4 iterations. iteration 582: trace = 2.578881670042271 (7.84955e-09% change) linmin: converged after 6 iterations. iteration 583: trace = 2.578881669975914 (2.57311e-09% change) large trace change predicted (7.51575e-09%) linmin: converged after 4 iterations. iteration 584: trace = 2.578881669782093 (7.5157e-09% change) linmin: converged after 3 iterations. iteration 585: trace = 2.578881669703646 (3.0419e-09% change) linmin: converged after 3 iterations. iteration 586: trace = 2.578881669557983 (5.6483e-09% change) linmin: converged after 22 iterations. iteration 587: trace = 2.578881669411186 (5.69227e-09% change) linmin: converged after 7 iterations. iteration 588: trace = 2.578881669317883 (3.61797e-09% change) linmin: converged after 4 iterations. iteration 589: trace = 2.578881669236906 (3.14e-09% change) large trace change predicted (6.96832e-09%) linmin: converged after 20 iterations. iteration 590: trace = 2.5788816690572 (6.96837e-09% change) linmin: converged after 24 iterations. iteration 591: trace = 2.57888166890418 (5.93359e-09% change) linmin: converged after 18 iterations. iteration 592: trace = 2.578881668853529 (1.96404e-09% change) large trace change predicted (5.39672e-09%) linmin: converged after 11 iterations. iteration 593: trace = 2.578881668714356 (5.39665e-09% change) linmin: converged after 4 iterations. iteration 594: trace = 2.578881668589363 (4.84682e-09% change) linmin: converged after 5 iterations. iteration 595: trace = 2.578881668560112 (1.13424e-09% change) large trace change predicted (3.13085e-09%) linmin: converged after 7 iterations. iteration 596: trace = 2.578881668479373 (3.13076e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.578881668368087 (4.3153e-09% change) linmin: converged after 12 iterations. iteration 598: trace = 2.578881668327885 (1.5589e-09% change) large trace change predicted (5.339e-09%) linmin: converged after 5 iterations. iteration 599: trace = 2.578881668190197 (5.33904e-09% change) linmin: converged after 15 iterations. iteration 600: trace = 2.578881668069743 (4.67078e-09% change) linmin: converged after 24 iterations. iteration 601: trace = 2.578881668035215 (1.33889e-09% change) large trace change predicted (3.15479e-09%) linmin: converged after 12 iterations. iteration 602: trace = 2.578881667953855 (3.15485e-09% change) linmin: converged after 21 iterations. iteration 603: trace = 2.578881667910796 (1.66967e-09% change) linmin: converged after 24 iterations. iteration 604: trace = 2.578881667856274 (2.11418e-09% change) linmin: converged after 3 iterations. iteration 605: trace = 2.578881667765254 (3.52944e-09% change) linmin: converged after 19 iterations. iteration 606: trace = 2.578881667737539 (1.0747e-09% change) large trace change predicted (3.07161e-09%) linmin: converged after 2 iterations. iteration 607: trace = 2.578881667658322 (3.07173e-09% change) linmin: converged after 7 iterations. iteration 608: trace = 2.578881667584383 (2.86712e-09% change) linmin: converged after 4 iterations. iteration 609: trace = 2.578881667557337 (1.04875e-09% change) large trace change predicted (3.28848e-09%) linmin: converged after 27 iterations. iteration 610: trace = 2.57888166747253 (3.28853e-09% change) linmin: converged after 24 iterations. iteration 611: trace = 2.57888166736174 (4.29605e-09% change) linmin: converged after 10 iterations. iteration 612: trace = 2.578881667282033 (3.09075e-09% change) linmin: converged after 23 iterations. iteration 613: trace = 2.578881667222985 (2.28965e-09% change) linmin: converged after 4 iterations. iteration 614: trace = 2.578881667151451 (2.77383e-09% change) linmin: converged after 9 iterations. iteration 615: trace = 2.578881667116891 (1.34013e-09% change) linmin: converged after 19 iterations. iteration 616: trace = 2.578881667068707 (1.86839e-09% change) linmin: converged after 24 iterations. iteration 617: trace = 2.578881666997116 (2.77607e-09% change) linmin: converged after 4 iterations. iteration 618: trace = 2.578881666943873 (2.06455e-09% change) linmin: converged after 4 iterations. iteration 619: trace = 2.578881666924302 (7.58895e-10% change) large trace change predicted (2.04941e-09%) linmin: converged after 6 iterations. iteration 620: trace = 2.578881666871453 (2.04933e-09% change) linmin: converged after 8 iterations. iteration 621: trace = 2.578881666829185 (1.63899e-09% change) linmin: converged after 6 iterations. iteration 622: trace = 2.578881666776131 (2.05725e-09% change) linmin: converged after 5 iterations. iteration 623: trace = 2.578881666709835 (2.57074e-09% change) linmin: converged after 7 iterations. iteration 624: trace = 2.578881666694345 (6.00641e-10% change) large trace change predicted (1.31907e-09%) linmin: converged after 15 iterations. iteration 625: trace = 2.578881666660327 (1.3191e-09% change) linmin: converged after 16 iterations. iteration 626: trace = 2.578881666625079 (1.3668e-09% change) linmin: converged after 4 iterations. iteration 627: trace = 2.578881666610428 (5.68112e-10% change) large trace change predicted (3.02454e-09%) linmin: converged after 3 iterations. iteration 628: trace = 2.578881666532428 (3.02456e-09% change) linmin: converged after 6 iterations. iteration 629: trace = 2.578881666402975 (5.01973e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 630: trace = 2.578881666365661 (1.44689e-09% change) linmin: converged after 14 iterations. iteration 631: trace = 2.578881666308834 (2.20355e-09% change) linmin: converged after 4 iterations. iteration 632: trace = 2.578881666271098 (1.46327e-09% change) linmin: converged after 3 iterations. iteration 633: trace = 2.578881666261256 (3.81652e-10% change) large trace change predicted (1.10518e-09%) linmin: converged after 4 iterations. iteration 634: trace = 2.578881666232756 (1.10514e-09% change) linmin: converged after 5 iterations. iteration 635: trace = 2.578881666211092 (8.40037e-10% change) linmin: converged after 8 iterations. iteration 636: trace = 2.578881666196355 (5.71436e-10% change) linmin: converged after 15 iterations. iteration 637: trace = 2.578881666170575 (9.99686e-10% change) linmin: converged after 7 iterations. iteration 638: trace = 2.578881666158961 (4.50326e-10% change) linmin: converged after 3 iterations. iteration 639: trace = 2.578881666137326 (8.38952e-10% change) large trace change predicted (1.70635e-09%) linmin: converged after 16 iterations. iteration 640: trace = 2.578881666093318 (1.70646e-09% change) linmin: converged after 4 iterations. iteration 641: trace = 2.578881666076654 (6.46189e-10% change) large trace change predicted (1.54369e-09%) linmin: converged after 10 iterations. iteration 642: trace = 2.578881666036843 (1.54371e-09% change) linmin: converged after 4 iterations. iteration 643: trace = 2.578881665998372 (1.49179e-09% change) linmin: converged after 6 iterations. iteration 644: trace = 2.578881665989188 (3.56131e-10% change) large trace change predicted (9.14615e-10%) linmin: converged after 4 iterations. iteration 645: trace = 2.5788816659656 (9.14652e-10% change) linmin: converged after 13 iterations. iteration 646: trace = 2.578881665938786 (1.03974e-09% change) linmin: converged after 3 iterations. iteration 647: trace = 2.578881665927605 (4.33588e-10% change) large trace change predicted (1.85373e-09%) linmin: converged after 5 iterations. iteration 648: trace = 2.578881665879801 (1.85365e-09% change) linmin: converged after 6 iterations. iteration 649: trace = 2.578881665849486 (1.17552e-09% change) linmin: converged after 3 iterations. iteration 650: trace = 2.578881665837637 (4.59453e-10% change) linmin: converged after 4 iterations. iteration 651: trace = 2.578881665818133 (7.56295e-10% change) linmin: converged after 3 iterations. iteration 652: trace = 2.578881665793404 (9.58891e-10% change) linmin: converged after 3 iterations. iteration 653: trace = 2.57888166578838 (1.94847e-10% change) large trace change predicted (6.15716e-10%) linmin: converged after 3 iterations. iteration 654: trace = 2.578881665772504 (6.15606e-10% change) linmin: converged after 5 iterations. iteration 655: trace = 2.578881665755103 (6.74757e-10% change) linmin: converged after 15 iterations. iteration 656: trace = 2.578881665733172 (8.50404e-10% change) linmin: converged after 3 iterations. iteration 657: trace = 2.578881665727903 (2.04301e-10% change) large trace change predicted (8.55276e-10%) linmin: converged after 12 iterations. iteration 658: trace = 2.578881665705846 (8.55277e-10% change) linmin: converged after 5 iterations. iteration 659: trace = 2.578881665687642 (7.05891e-10% change) linmin: converged after 12 iterations. iteration 660: trace = 2.578881665677319 (4.00284e-10% change) large trace change predicted (1.03966e-09%) linmin: converged after 3 iterations. iteration 661: trace = 2.578881665650508 (1.03965e-09% change) linmin: converged after 4 iterations. iteration 662: trace = 2.578881665630861 (7.6184e-10% change) linmin: converged after 15 iterations. iteration 663: trace = 2.578881665624601 (2.42754e-10% change) large trace change predicted (8.73049e-10%) linmin: converged after 10 iterations. iteration 664: trace = 2.578881665602088 (8.72979e-10% change) linmin: converged after 3 iterations. iteration 665: trace = 2.578881665585691 (6.35805e-10% change) linmin: converged after 9 iterations. iteration 666: trace = 2.578881665579373 (2.44975e-10% change) large trace change predicted (5.44998e-10%) linmin: converged after 3 iterations. iteration 667: trace = 2.578881665565317 (5.45072e-10% change) linmin: converged after 3 iterations. iteration 668: trace = 2.578881665550274 (5.83318e-10% change) linmin: converged after 8 iterations. iteration 669: trace = 2.578881665539279 (4.26321e-10% change) linmin: converged after 15 iterations. iteration 670: trace = 2.578881665517534 (8.43188e-10% change) linmin: converged after 3 iterations. iteration 671: trace = 2.5788816655135 (1.56429e-10% change) large trace change predicted (6.11963e-10%) linmin: converged after 7 iterations. iteration 672: trace = 2.578881665497717 (6.12007e-10% change) linmin: converged after 3 iterations. iteration 673: trace = 2.578881665485625 (4.68907e-10% change) linmin: converged after 2 iterations. iteration 674: trace = 2.578881665477133 (3.29285e-10% change) linmin: converged after 4 iterations. iteration 675: trace = 2.578881665468803 (3.23017e-10% change) linmin: converged after 15 iterations. iteration 676: trace = 2.578881665455805 (5.04002e-10% change) linmin: converged after 15 iterations. iteration 677: trace = 2.578881665446927 (3.44267e-10% change) linmin: converged after 4 iterations. iteration 678: trace = 2.578881665434703 (4.74004e-10% change) linmin: converged after 14 iterations. iteration 679: trace = 2.578881665414669 (7.76839e-10% change) linmin: converged after 4 iterations. iteration 680: trace = 2.578881665410171 (1.74406e-10% change) large trace change predicted (5.34734e-10%) linmin: converged after 6 iterations. iteration 681: trace = 2.578881665396382 (5.34705e-10% change) linmin: converged after 13 iterations. iteration 682: trace = 2.578881665382299 (5.46105e-10% change) linmin: converged after 12 iterations. iteration 683: trace = 2.578881665377376 (1.90886e-10% change) large trace change predicted (4.80507e-10%) linmin: converged after 11 iterations. iteration 684: trace = 2.578881665364982 (4.80582e-10% change) linmin: converged after 4 iterations. iteration 685: trace = 2.578881665352843 (4.70698e-10% change) linmin: converged after 4 iterations. iteration 686: trace = 2.578881665343447 (3.64363e-10% change) linmin: converged after 3 iterations. iteration 687: trace = 2.578881665339246 (1.62886e-10% change) large trace change predicted (3.86006e-10%) linmin: converged after 8 iterations. iteration 688: trace = 2.578881665329292 (3.86009e-10% change) linmin: converged after 15 iterations. iteration 689: trace = 2.57888166532241 (2.66845e-10% change) linmin: converged after 4 iterations. iteration 690: trace = 2.578881665319939 (9.58133e-11% change) Finished solving for bands 1 to 10 after 690 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 elapsed time for k point: 5.802289009094238 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.744311706566845 (2.29525% change) linmin: converged after 4 iterations. iteration 2: trace = 2.727853429188773 (0.601527% change) linmin: converged after 4 iterations. iteration 3: trace = 2.712444778499678 (0.566463% change) linmin: converged after 3 iterations. iteration 4: trace = 2.709059882647264 (0.124869% change) large trace change predicted (0.449863%) linmin: converged after 5 iterations. iteration 5: trace = 2.697341162333736 (0.433513% change) linmin: converged after 3 iterations. iteration 6: trace = 2.694430122046091 (0.107981% change) linmin: converged after 4 iterations. iteration 7: trace = 2.689690881339194 (0.176045% change) linmin: converged after 4 iterations. iteration 8: trace = 2.684920914106784 (0.1775% change) linmin: converged after 4 iterations. iteration 9: trace = 2.683317893044006 (0.0597224% change) large trace change predicted (0.123465%) linmin: converged after 4 iterations. iteration 10: trace = 2.680111196554443 (0.119576% change) linmin: converged after 4 iterations. iteration 11: trace = 2.678994185279359 (0.0416865% change) linmin: converged after 4 iterations. iteration 12: trace = 2.677047604712764 (0.0726873% change) linmin: converged after 4 iterations. iteration 13: trace = 2.675749668986879 (0.0484956% change) linmin: converged after 4 iterations. iteration 14: trace = 2.675253512529668 (0.0185444% change) large trace change predicted (0.0689961%) linmin: converged after 5 iterations. iteration 15: trace = 2.673466767247756 (0.0668102% change) linmin: converged after 4 iterations. iteration 16: trace = 2.672597660652589 (0.0325139% change) large trace change predicted (0.0848707%) linmin: converged after 5 iterations. iteration 17: trace = 2.670556349849861 (0.0764085% change) linmin: converged after 5 iterations. iteration 18: trace = 2.669703874082995 (0.0319264% change) linmin: converged after 6 iterations. iteration 19: trace = 2.668900351150444 (0.0301024% change) linmin: converged after 4 iterations. iteration 20: trace = 2.668441764783743 (0.0171841% change) linmin: converged after 4 iterations. iteration 21: trace = 2.667894295966653 (0.0205185% change) linmin: converged after 4 iterations. iteration 22: trace = 2.667712420203308 (0.00681744% change) linmin: converged after 4 iterations. iteration 23: trace = 2.667380646818715 (0.0124374% change) linmin: converged after 4 iterations. iteration 24: trace = 2.667219082742461 (0.00605721% change) large trace change predicted (0.0140638%) linmin: converged after 4 iterations. iteration 25: trace = 2.66684774538052 (0.0139232% change) linmin: converged after 4 iterations. iteration 26: trace = 2.666714603089204 (0.00499262% change) large trace change predicted (0.0115122%) linmin: converged after 4 iterations. iteration 27: trace = 2.666408036339559 (0.0114967% change) linmin: converged after 3 iterations. iteration 28: trace = 2.666220305149554 (0.00704085% change) linmin: converged after 4 iterations. iteration 29: trace = 2.66597312092934 (0.00927139% change) linmin: converged after 4 iterations. iteration 30: trace = 2.665789186993254 (0.00689955% change) linmin: converged after 4 iterations. iteration 31: trace = 2.665604105047465 (0.0069431% change) linmin: converged after 3 iterations. iteration 32: trace = 2.665322393682089 (0.0105689% change) linmin: converged after 3 iterations. iteration 33: trace = 2.665175370989547 (0.00551628% change) linmin: converged after 3 iterations. iteration 34: trace = 2.664933916151045 (0.00906003% change) linmin: converged after 3 iterations. iteration 35: trace = 2.664826985369218 (0.00401259% change) large trace change predicted (0.0092731%) linmin: converged after 4 iterations. iteration 36: trace = 2.664575674215955 (0.00943112% change) linmin: converged after 3 iterations. iteration 37: trace = 2.664486077834961 (0.00336256% change) large trace change predicted (0.00824588%) linmin: converged after 3 iterations. iteration 38: trace = 2.66426321971807 (0.00836437% change) linmin: converged after 3 iterations. iteration 39: trace = 2.664167698140893 (0.00358535% change) large trace change predicted (0.00963697%) linmin: converged after 3 iterations. iteration 40: trace = 2.663907663756214 (0.00976091% change) linmin: converged after 4 iterations. iteration 41: trace = 2.663805028176641 (0.00385289% change) large trace change predicted (0.010414%) linmin: converged after 4 iterations. iteration 42: trace = 2.663525763579706 (0.0104842% change) linmin: converged after 4 iterations. iteration 43: trace = 2.663401608748139 (0.00466141% change) large trace change predicted (0.00944192%) linmin: converged after 4 iterations. iteration 44: trace = 2.663149126389749 (0.00948014% change) linmin: converged after 4 iterations. iteration 45: trace = 2.663044892504995 (0.00391401% change) large trace change predicted (0.00793982%) linmin: converged after 4 iterations. iteration 46: trace = 2.662833377783387 (0.0079429% change) linmin: converged after 4 iterations. iteration 47: trace = 2.662716816016567 (0.00437745% change) linmin: converged after 4 iterations. iteration 48: trace = 2.662492945270663 (0.00840796% change) linmin: converged after 10 iterations. iteration 49: trace = 2.662363198583294 (0.00487325% change) linmin: converged after 3 iterations. iteration 50: trace = 2.662194435901293 (0.00633903% change) linmin: converged after 4 iterations. iteration 51: trace = 2.662058263970111 (0.00511516% change) linmin: converged after 4 iterations. iteration 52: trace = 2.661880036824464 (0.00669531% change) linmin: converged after 3 iterations. iteration 53: trace = 2.661724424549829 (0.00584612% change) linmin: converged after 4 iterations. iteration 54: trace = 2.661571659351845 (0.0057395% change) linmin: converged after 4 iterations. iteration 55: trace = 2.661350624840456 (0.00830501% change) linmin: converged after 4 iterations. iteration 56: trace = 2.661190937801536 (0.00600041% change) linmin: converged after 4 iterations. iteration 57: trace = 2.660967704777387 (0.00838882% change) linmin: converged after 4 iterations. iteration 58: trace = 2.660849318412781 (0.0044491% change) large trace change predicted (0.00999838%) linmin: converged after 4 iterations. iteration 59: trace = 2.660586139879843 (0.00989126% change) linmin: converged after 4 iterations. iteration 60: trace = 2.660492932363067 (0.00350333% change) large trace change predicted (0.00837966%) linmin: converged after 4 iterations. iteration 61: trace = 2.660271734284825 (0.00831452% change) linmin: converged after 4 iterations. iteration 62: trace = 2.660168754141257 (0.00387111% change) large trace change predicted (0.0102877%) linmin: converged after 4 iterations. iteration 63: trace = 2.659896542020582 (0.0102334% change) linmin: converged after 6 iterations. iteration 64: trace = 2.659777432904348 (0.00447806% change) linmin: converged after 6 iterations. iteration 65: trace = 2.659570313256062 (0.00778741% change) linmin: converged after 3 iterations. iteration 66: trace = 2.659406587425108 (0.00615629% change) linmin: converged after 4 iterations. iteration 67: trace = 2.659264423859675 (0.00534583% change) linmin: converged after 4 iterations. iteration 68: trace = 2.659119392291422 (0.00545397% change) linmin: converged after 4 iterations. iteration 69: trace = 2.659023915401236 (0.00359061% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.658915873699179 (0.00406329% change) large trace change predicted (0.016385%) linmin: converged after 3 iterations. iteration 71: trace = 2.65847821219801 (0.0164615% change) linmin: converged after 3 iterations. iteration 72: trace = 2.658118975344289 (0.0135138% change) linmin: converged after 3 iterations. iteration 73: trace = 2.657882986337128 (0.00887844% change) linmin: converged after 3 iterations. iteration 74: trace = 2.657598355694323 (0.0107095% change) linmin: converged after 3 iterations. iteration 75: trace = 2.657541563519207 (0.002137% change) large trace change predicted (0.00462973%) linmin: converged after 3 iterations. iteration 76: trace = 2.657418313642661 (0.00463785% change) linmin: converged after 3 iterations. iteration 77: trace = 2.657346174417507 (0.00271467% change) linmin: converged after 6 iterations. iteration 78: trace = 2.657324770813269 (0.000805454% change) large trace change predicted (0.00211725%) linmin: converged after 3 iterations. iteration 79: trace = 2.657268389099224 (0.00212177% change) linmin: converged after 3 iterations. iteration 80: trace = 2.657245708872471 (0.00085352% change) linmin: converged after 3 iterations. iteration 81: trace = 2.657219660351481 (0.000980288% change) linmin: converged after 3 iterations. iteration 82: trace = 2.657182681218516 (0.00139166% change) linmin: converged after 3 iterations. iteration 83: trace = 2.657168089408553 (0.000549147% change) large trace change predicted (0.00207295%) linmin: converged after 3 iterations. iteration 84: trace = 2.657112955464979 (0.00207494% change) linmin: converged after 3 iterations. iteration 85: trace = 2.657052124539778 (0.00228939% change) linmin: converged after 9 iterations. iteration 86: trace = 2.657017628805025 (0.00129828% change) large trace change predicted (0.0041929%) linmin: converged after 3 iterations. iteration 87: trace = 2.656905955255567 (0.00420305% change) linmin: converged after 4 iterations. iteration 88: trace = 2.656840795769683 (0.00245249% change) linmin: converged after 3 iterations. iteration 89: trace = 2.656716258420769 (0.00468753% change) linmin: converged after 3 iterations. iteration 90: trace = 2.656564762507229 (0.00570254% change) linmin: converged after 3 iterations. iteration 91: trace = 2.656504400467738 (0.00227221% change) large trace change predicted (0.00808324%) linmin: converged after 4 iterations. iteration 92: trace = 2.656289837853747 (0.0080772% change) linmin: converged after 3 iterations. iteration 93: trace = 2.656193473489253 (0.00362785% change) linmin: converged after 4 iterations. iteration 94: trace = 2.656063428358988 (0.00489604% change) linmin: converged after 4 iterations. iteration 95: trace = 2.655889889600818 (0.0065339% change) linmin: converged after 4 iterations. iteration 96: trace = 2.655839142251867 (0.00191077% change) large trace change predicted (0.00421301%) linmin: converged after 3 iterations. iteration 97: trace = 2.655727256189858 (0.00421292% change) linmin: converged after 4 iterations. iteration 98: trace = 2.655616150869089 (0.0041837% change) linmin: converged after 4 iterations. iteration 99: trace = 2.655571209211261 (0.00169234% change) linmin: converged after 3 iterations. iteration 100: trace = 2.655503811953288 (0.00253799% change) linmin: converged after 3 iterations. iteration 101: trace = 2.655488980723592 (0.000558511% change) large trace change predicted (0.00182287%) linmin: converged after 3 iterations. iteration 102: trace = 2.655440595979532 (0.00182208% change) linmin: converged after 4 iterations. iteration 103: trace = 2.655383205452213 (0.00216127% change) linmin: converged after 5 iterations. iteration 104: trace = 2.655357510966723 (0.000967642% change) large trace change predicted (0.00357653%) linmin: converged after 4 iterations. iteration 105: trace = 2.655262493743208 (0.00357839% change) linmin: converged after 4 iterations. iteration 106: trace = 2.655229576881033 (0.00123969% change) large trace change predicted (0.00270501%) linmin: converged after 3 iterations. iteration 107: trace = 2.655157690114051 (0.0027074% change) linmin: converged after 3 iterations. iteration 108: trace = 2.655030930807147 (0.00477419% change) linmin: converged after 4 iterations. iteration 109: trace = 2.654980461725226 (0.0019009% change) large trace change predicted (0.00534967%) linmin: converged after 4 iterations. iteration 110: trace = 2.65483831067593 (0.00535427% change) linmin: converged after 4 iterations. iteration 111: trace = 2.654712145935743 (0.00475237% change) linmin: converged after 4 iterations. iteration 112: trace = 2.654658501141271 (0.00202076% change) linmin: converged after 4 iterations. iteration 113: trace = 2.654566839474135 (0.00345292% change) linmin: converged after 4 iterations. iteration 114: trace = 2.654539506720603 (0.00102966% change) large trace change predicted (0.00383287%) linmin: converged after 4 iterations. iteration 115: trace = 2.654437788715784 (0.00383192% change) linmin: converged after 4 iterations. iteration 116: trace = 2.654364539132505 (0.00275955% change) linmin: converged after 3 iterations. iteration 117: trace = 2.654340189959548 (0.00091733% change) large trace change predicted (0.00275142%) linmin: converged after 3 iterations. iteration 118: trace = 2.654267203206098 (0.00274975% change) linmin: converged after 3 iterations. iteration 119: trace = 2.654255160348953 (0.000453718% change) large trace change predicted (0.00136354%) linmin: converged after 3 iterations. iteration 120: trace = 2.654218987146353 (0.00136285% change) linmin: converged after 3 iterations. iteration 121: trace = 2.654200862719402 (0.000682856% change) linmin: converged after 4 iterations. iteration 122: trace = 2.65419338921621 (0.000281573% change) large trace change predicted (0.000758533%) linmin: converged after 5 iterations. iteration 123: trace = 2.65417325754406 (0.000758488% change) linmin: converged after 4 iterations. iteration 124: trace = 2.654167283770966 (0.000225071% change) linmin: converged after 3 iterations. iteration 125: trace = 2.654157924388185 (0.00035263% change) linmin: converged after 4 iterations. iteration 126: trace = 2.654147428429356 (0.000395454% change) linmin: converged after 4 iterations. iteration 127: trace = 2.65414356521363 (0.000145554% change) large trace change predicted (0.000376496%) linmin: converged after 4 iterations. iteration 128: trace = 2.654133572243902 (0.000376505% change) linmin: converged after 3 iterations. iteration 129: trace = 2.654120961518042 (0.000475136% change) linmin: converged after 4 iterations. iteration 130: trace = 2.654109191835844 (0.00044345% change) linmin: converged after 3 iterations. iteration 131: trace = 2.654085880836995 (0.000878302% change) linmin: converged after 6 iterations. iteration 132: trace = 2.654077837930282 (0.000303039% change) large trace change predicted (0.000990428%) linmin: converged after 3 iterations. iteration 133: trace = 2.654051536673845 (0.00099098% change) linmin: converged after 5 iterations. iteration 134: trace = 2.654040116195589 (0.000430304% change) linmin: converged after 3 iterations. iteration 135: trace = 2.654033618699459 (0.000244816% change) linmin: converged after 3 iterations. iteration 136: trace = 2.654022217430992 (0.000429584% change) linmin: converged after 3 iterations. iteration 137: trace = 2.654018101221194 (0.000155093% change) large trace change predicted (0.00048083%) linmin: converged after 3 iterations. iteration 138: trace = 2.65400533905391 (0.000480863% change) linmin: converged after 3 iterations. iteration 139: trace = 2.65399702905286 (0.000313112% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.653995088459377 (7.31197e-05% change) linmin: converged after 4 iterations. iteration 141: trace = 2.653992473173823 (9.85415e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.6539901550025 (8.73466e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.653988588755459 (5.90148e-05% change) linmin: converged after 4 iterations. iteration 144: trace = 2.653985747965276 (0.000107039% change) linmin: converged after 5 iterations. iteration 145: trace = 2.653984648480818 (4.14277e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.6539827442467 (7.175e-05% change) linmin: converged after 4 iterations. iteration 147: trace = 2.653979604141536 (0.000118317% change) linmin: converged after 5 iterations. iteration 148: trace = 2.653979060079978 (2.04998e-05% change) large trace change predicted (9.46791e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.653976547210318 (9.46831e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.653975158224627 (5.2336e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.653973699093475 (5.49791e-05% change) large trace change predicted (0.000111656%) linmin: converged after 3 iterations. iteration 152: trace = 2.65397073580476 (0.000111655% change) linmin: converged after 3 iterations. iteration 153: trace = 2.653968437943291 (8.65821e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 2.653966790958189 (6.20575e-05% change) large trace change predicted (0.000206077%) linmin: converged after 5 iterations. iteration 155: trace = 2.653961321414043 (0.00020609% change) linmin: converged after 3 iterations. iteration 156: trace = 2.653959586308098 (6.5378e-05% change) large trace change predicted (0.000249099%) linmin: converged after 4 iterations. iteration 157: trace = 2.653952975410349 (0.000249096% change) linmin: converged after 4 iterations. iteration 158: trace = 2.653947557440701 (0.000204147% change) linmin: converged after 3 iterations. iteration 159: trace = 2.653944316216653 (0.000122128% change) large trace change predicted (0.000321194%) linmin: converged after 4 iterations. iteration 160: trace = 2.653935789769726 (0.000321275% change) linmin: converged after 4 iterations. iteration 161: trace = 2.653926974756279 (0.000332149% change) linmin: converged after 4 iterations. iteration 162: trace = 2.653925366529978 (6.0598e-05% change) large trace change predicted (0.000210672%) linmin: converged after 4 iterations. iteration 163: trace = 2.653919774884092 (0.000210694% change) linmin: converged after 4 iterations. iteration 164: trace = 2.653917952098645 (6.86828e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.653915878528639 (7.81324e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.653913457863796 (9.12111e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.653912728937688 (2.74661e-05% change) large trace change predicted (0.000100225%) linmin: converged after 5 iterations. iteration 168: trace = 2.653910068832205 (0.000100233% change) linmin: converged after 4 iterations. iteration 169: trace = 2.653908236923407 (6.90268e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.653907655542546 (2.19066e-05% change) large trace change predicted (7.38394e-05%) linmin: converged after 8 iterations. iteration 171: trace = 2.653905696182572 (7.38293e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.653904101524922 (6.00872e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.65390359935577 (1.89219e-05% change) large trace change predicted (6.97395e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.653901748740724 (6.97318e-05% change) linmin: converged after 7 iterations. iteration 175: trace = 2.653900309093713 (5.42464e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.653899661043319 (2.44188e-05% change) large trace change predicted (8.21436e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.653897481265382 (8.21349e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.65389478450565 (0.000101615% change) linmin: converged after 3 iterations. iteration 179: trace = 2.653893725850911 (3.98906e-05% change) large trace change predicted (0.000173259%) linmin: converged after 4 iterations. iteration 180: trace = 2.653889127603079 (0.000173264% change) linmin: converged after 3 iterations. iteration 181: trace = 2.653888302725084 (3.10819e-05% change) large trace change predicted (9.92913e-05%) linmin: converged after 5 iterations. iteration 182: trace = 2.653885667431768 (9.92994e-05% change) linmin: converged after 4 iterations. iteration 183: trace = 2.653883594961416 (7.8092e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.653882451031205 (4.3104e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.653880513738066 (7.29985e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.653880029985519 (1.82281e-05% change) linmin: converged after 2 iterations. iteration 187: trace = 2.653879272951855 (2.85255e-05% change) linmin: converged after 4 iterations. iteration 188: trace = 2.653878603134779 (2.52392e-05% change) linmin: converged after 3 iterations. iteration 189: trace = 2.653878402301266 (7.56755e-06% change) large trace change predicted (1.8864e-05%) linmin: converged after 3 iterations. iteration 190: trace = 2.653877901679897 (1.88638e-05% change) linmin: converged after 4 iterations. iteration 191: trace = 2.653877422322583 (1.80625e-05% change) linmin: converged after 2 iterations. iteration 192: trace = 2.653877311013573 (4.1942e-06% change) large trace change predicted (1.21075e-05%) linmin: converged after 8 iterations. iteration 193: trace = 2.653876989698607 (1.21074e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.653876699362455 (1.09401e-05% change) linmin: converged after 4 iterations. iteration 195: trace = 2.653876504482589 (7.34322e-06% change) large trace change predicted (1.82666e-05%) linmin: converged after 3 iterations. iteration 196: trace = 2.653876019727643 (1.82659e-05% change) linmin: converged after 3 iterations. iteration 197: trace = 2.653875742474495 (1.04471e-05% change) large trace change predicted (2.56597e-05%) linmin: converged after 3 iterations. iteration 198: trace = 2.653875061536108 (2.56583e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.653874148251663 (3.44132e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.653873609274898 (2.03091e-05% change) linmin: converged after 5 iterations. iteration 201: trace = 2.653872934441708 (2.54282e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.653871896054025 (3.91273e-05% change) linmin: converged after 11 iterations. iteration 203: trace = 2.653871548124646 (1.31103e-05% change) large trace change predicted (3.26431e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.653870681752589 (3.26456e-05% change) linmin: converged after 5 iterations. iteration 205: trace = 2.653870113180877 (2.14242e-05% change) linmin: converged after 8 iterations. iteration 206: trace = 2.653869969355715 (5.41945e-06% change) large trace change predicted (1.28858e-05%) linmin: converged after 5 iterations. iteration 207: trace = 2.65386962738419 (1.28858e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.653869347066689 (1.05626e-05% change) linmin: converged after 4 iterations. iteration 209: trace = 2.653869078666865 (1.01135e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.653868929278431 (5.62908e-06% change) linmin: converged after 3 iterations. iteration 211: trace = 2.653868854720528 (2.8094e-06% change) linmin: converged after 4 iterations. iteration 212: trace = 2.653868739621619 (4.33702e-06% change) linmin: converged after 4 iterations. iteration 213: trace = 2.653868664026334 (2.84849e-06% change) large trace change predicted (6.99836e-06%) linmin: converged after 3 iterations. iteration 214: trace = 2.653868478285486 (6.99887e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.653868240868427 (8.94608e-06% change) linmin: converged after 3 iterations. iteration 216: trace = 2.653868168188466 (2.73864e-06% change) large trace change predicted (1.06412e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.653867885773913 (1.06416e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.653867629580051 (9.6536e-06% change) linmin: converged after 4 iterations. iteration 219: trace = 2.6538674425532 (7.04733e-06% change) large trace change predicted (1.43941e-05%) linmin: converged after 2 iterations. iteration 220: trace = 2.653867060548923 (1.43942e-05% change) linmin: converged after 5 iterations. iteration 221: trace = 2.653866955046615 (3.97542e-06% change) large trace change predicted (1.13656e-05%) linmin: converged after 2 iterations. iteration 222: trace = 2.65386665341414 (1.13658e-05% change) linmin: converged after 2 iterations. iteration 223: trace = 2.65386635665272 (1.11822e-05% change) linmin: converged after 2 iterations. iteration 224: trace = 2.653866275659121 (3.05191e-06% change) large trace change predicted (6.7759e-06%) linmin: converged after 8 iterations. iteration 225: trace = 2.653866095841 (6.7757e-06% change) linmin: converged after 3 iterations. iteration 226: trace = 2.653865950839495 (5.46378e-06% change) linmin: converged after 16 iterations. iteration 227: trace = 2.653865911375441 (1.48704e-06% change) large trace change predicted (5.25307e-06%) linmin: converged after 8 iterations. iteration 228: trace = 2.653865771971354 (5.25287e-06% change) linmin: converged after 30 iterations. iteration 229: trace = 2.653865714385018 (2.1699e-06% change) linmin: converged after 12 iterations. iteration 230: trace = 2.653865636870298 (2.92082e-06% change) linmin: converged after 3 iterations. iteration 231: trace = 2.653865565556158 (2.68718e-06% change) linmin: converged after 8 iterations. iteration 232: trace = 2.653865524729734 (1.53838e-06% change) linmin: converged after 4 iterations. iteration 233: trace = 2.653865447933593 (2.89375e-06% change) linmin: converged after 3 iterations. iteration 234: trace = 2.653865309756233 (5.20665e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 2.653865266341062 (1.63592e-06% change) large trace change predicted (5.70743e-06%) linmin: converged after 7 iterations. iteration 236: trace = 2.65386511487547 (5.70736e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.653864885071656 (8.65921e-06% change) linmin: converged after 4 iterations. iteration 238: trace = 2.653864825211013 (2.2556e-06% change) large trace change predicted (1.44429e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.653864441923401 (1.44426e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.653864126069366 (1.19017e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.653864012362174 (4.28459e-06% change) large trace change predicted (9.19425e-06%) linmin: converged after 2 iterations. iteration 242: trace = 2.653863768346315 (9.19474e-06% change) linmin: converged after 13 iterations. iteration 243: trace = 2.653863532230602 (8.89706e-06% change) linmin: converged after 2 iterations. iteration 244: trace = 2.653863422465232 (4.13606e-06% change) linmin: converged after 3 iterations. iteration 245: trace = 2.653863204777629 (8.20267e-06% change) linmin: converged after 2 iterations. iteration 246: trace = 2.653863147350654 (2.1639e-06% change) large trace change predicted (6.36488e-06%) linmin: converged after 2 iterations. iteration 247: trace = 2.653862978430967 (6.36505e-06% change) linmin: converged after 2 iterations. iteration 248: trace = 2.653862840031454 (5.21502e-06% change) linmin: converged after 5 iterations. iteration 249: trace = 2.653862795682846 (1.6711e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.653862736730642 (2.22137e-06% change) linmin: converged after 4 iterations. iteration 251: trace = 2.653862665750763 (2.67459e-06% change) linmin: converged after 3 iterations. iteration 252: trace = 2.653862644330882 (8.07121e-07% change) large trace change predicted (1.69537e-06%) linmin: converged after 7 iterations. iteration 253: trace = 2.653862599339077 (1.69533e-06% change) linmin: converged after 3 iterations. iteration 254: trace = 2.653862557331928 (1.58287e-06% change) linmin: converged after 3 iterations. iteration 255: trace = 2.653862542110703 (5.7355e-07% change) large trace change predicted (2.41703e-06%) linmin: converged after 3 iterations. iteration 256: trace = 2.653862477967833 (2.41696e-06% change) linmin: converged after 3 iterations. iteration 257: trace = 2.653862429244086 (1.83596e-06% change) linmin: converged after 3 iterations. iteration 258: trace = 2.653862355632653 (2.77375e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 2.653862240713912 (4.33025e-06% change) linmin: converged after 23 iterations. iteration 260: trace = 2.653862203252502 (1.41158e-06% change) large trace change predicted (3.1063e-06%) linmin: converged after 11 iterations. iteration 261: trace = 2.653862120817853 (3.10621e-06% change) linmin: converged after 22 iterations. iteration 262: trace = 2.653862016477676 (3.93164e-06% change) linmin: converged after 2 iterations. iteration 263: trace = 2.653861991572831 (9.38438e-07% change) large trace change predicted (3.48193e-06%) linmin: converged after 2 iterations. iteration 264: trace = 2.653861899166083 (3.48197e-06% change) linmin: converged after 4 iterations. iteration 265: trace = 2.653861840486549 (2.2111e-06% change) linmin: converged after 10 iterations. iteration 266: trace = 2.653861814272776 (9.8776e-07% change) large trace change predicted (2.04508e-06%) linmin: converged after 5 iterations. iteration 267: trace = 2.653861759999947 (2.04505e-06% change) linmin: converged after 2 iterations. iteration 268: trace = 2.653861729712912 (1.14124e-06% change) linmin: converged after 7 iterations. iteration 269: trace = 2.653861713877479 (5.96694e-07% change) linmin: converged after 4 iterations. iteration 270: trace = 2.653861685810446 (1.05759e-06% change) linmin: converged after 9 iterations. iteration 271: trace = 2.653861676306803 (3.58106e-07% change) linmin: converged after 2 iterations. iteration 272: trace = 2.653861664510934 (4.44479e-07% change) linmin: converged after 2 iterations. iteration 273: trace = 2.653861651288211 (4.98245e-07% change) linmin: converged after 3 iterations. iteration 274: trace = 2.653861645654054 (2.123e-07% change) linmin: converged after 9 iterations. iteration 275: trace = 2.653861637341998 (3.13206e-07% change) linmin: converged after 2 iterations. iteration 276: trace = 2.653861624091749 (4.99282e-07% change) linmin: converged after 9 iterations. iteration 277: trace = 2.653861619920205 (1.57188e-07% change) large trace change predicted (3.58256e-07%) linmin: converged after 7 iterations. iteration 278: trace = 2.653861610412518 (3.58259e-07% change) large trace change predicted (1.10295e-06%) linmin: converged after 3 iterations. iteration 279: trace = 2.653861581142976 (1.1029e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.653861568519023 (4.75682e-07% change) linmin: converged after 2 iterations. iteration 281: trace = 2.653861552923175 (5.87666e-07% change) linmin: converged after 3 iterations. iteration 282: trace = 2.653861550081947 (1.0706e-07% change) large trace change predicted (3.89619e-07%) linmin: converged after 2 iterations. iteration 283: trace = 2.653861539741979 (3.8962e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 2.653861531354648 (3.16043e-07% change) linmin: converged after 2 iterations. iteration 285: trace = 2.65386152881386 (9.57393e-08% change) large trace change predicted (4.06609e-07%) linmin: converged after 4 iterations. iteration 286: trace = 2.653861518023042 (4.06608e-07% change) linmin: converged after 2 iterations. iteration 287: trace = 2.653861510104847 (2.98365e-07% change) linmin: converged after 2 iterations. iteration 288: trace = 2.653861504210941 (2.22088e-07% change) large trace change predicted (4.8236e-07%) linmin: converged after 3 iterations. iteration 289: trace = 2.653861491409842 (4.82357e-07% change) linmin: converged after 30 iterations. iteration 290: trace = 2.653861478284371 (4.9458e-07% change) linmin: converged after 3 iterations. iteration 291: trace = 2.653861467601732 (4.02532e-07% change) large trace change predicted (9.49786e-07%) linmin: converged after 2 iterations. iteration 292: trace = 2.653861442395627 (9.4979e-07% change) linmin: converged after 3 iterations. iteration 293: trace = 2.653861432703633 (3.65203e-07% change) large trace change predicted (9.25801e-07%) linmin: converged after 2 iterations. iteration 294: trace = 2.653861408134078 (9.25804e-07% change) linmin: converged after 4 iterations. iteration 295: trace = 2.653861380954655 (1.02415e-06% change) linmin: converged after 2 iterations. iteration 296: trace = 2.653861370695237 (3.86585e-07% change) large trace change predicted (9.44367e-07%) linmin: converged after 22 iterations. iteration 297: trace = 2.653861345633382 (9.44354e-07% change) linmin: converged after 2 iterations. iteration 298: trace = 2.653861318083348 (1.03811e-06% change) linmin: converged after 23 iterations. iteration 299: trace = 2.653861309051124 (3.40343e-07% change) large trace change predicted (1.07811e-06%) linmin: converged after 3 iterations. iteration 300: trace = 2.653861280439376 (1.07812e-06% change) linmin: converged after 6 iterations. iteration 301: trace = 2.653861270422227 (3.77456e-07% change) linmin: converged after 5 iterations. iteration 302: trace = 2.653861257326721 (4.93451e-07% change) linmin: converged after 7 iterations. iteration 303: trace = 2.65386123993884 (6.55192e-07% change) linmin: converged after 5 iterations. iteration 304: trace = 2.653861237092904 (1.07238e-07% change) large trace change predicted (4.3725e-07%) linmin: converged after 2 iterations. iteration 305: trace = 2.653861225488783 (4.37254e-07% change) linmin: converged after 16 iterations. iteration 306: trace = 2.653861218875002 (2.49214e-07% change) linmin: converged after 4 iterations. iteration 307: trace = 2.653861216125898 (1.03589e-07% change) large trace change predicted (3.37229e-07%) linmin: converged after 4 iterations. iteration 308: trace = 2.653861207176281 (3.3723e-07% change) linmin: converged after 2 iterations. iteration 309: trace = 2.653861195835507 (4.27331e-07% change) linmin: converged after 4 iterations. iteration 310: trace = 2.653861185390587 (3.93574e-07% change) linmin: converged after 20 iterations. iteration 311: trace = 2.653861181517468 (1.45943e-07% change) large trace change predicted (4.49566e-07%) linmin: converged after 12 iterations. iteration 312: trace = 2.653861169586719 (4.49562e-07% change) linmin: converged after 3 iterations. iteration 313: trace = 2.653861159056564 (3.96786e-07% change) linmin: converged after 4 iterations. iteration 314: trace = 2.653861150358439 (3.27754e-07% change) linmin: converged after 9 iterations. iteration 315: trace = 2.653861134494232 (5.97778e-07% change) linmin: converged after 6 iterations. iteration 316: trace = 2.653861129798115 (1.76954e-07% change) large trace change predicted (5.85662e-07%) linmin: converged after 2 iterations. iteration 317: trace = 2.653861114255452 (5.85662e-07% change) linmin: converged after 4 iterations. iteration 318: trace = 2.653861101105498 (4.95503e-07% change) linmin: converged after 7 iterations. iteration 319: trace = 2.653861097243125 (1.45538e-07% change) large trace change predicted (4.93621e-07%) linmin: converged after 2 iterations. iteration 320: trace = 2.653861084143064 (4.93623e-07% change) linmin: converged after 4 iterations. iteration 321: trace = 2.65386107569902 (3.1818e-07% change) linmin: converged after 3 iterations. iteration 322: trace = 2.65386106993409 (2.17228e-07% change) linmin: converged after 10 iterations. iteration 323: trace = 2.653861063492937 (2.42709e-07% change) linmin: converged after 6 iterations. iteration 324: trace = 2.653861060759012 (1.03017e-07% change) linmin: converged after 4 iterations. iteration 325: trace = 2.65386105919477 (5.89421e-08% change) linmin: converged after 3 iterations. iteration 326: trace = 2.653861056255077 (1.1077e-07% change) linmin: converged after 3 iterations. iteration 327: trace = 2.653861055133477 (4.22629e-08% change) linmin: converged after 3 iterations. iteration 328: trace = 2.653861053319638 (6.83472e-08% change) linmin: converged after 3 iterations. iteration 329: trace = 2.653861051562423 (6.62135e-08% change) linmin: converged after 4 iterations. iteration 330: trace = 2.653861050695187 (3.26783e-08% change) large trace change predicted (7.69361e-08%) linmin: converged after 2 iterations. iteration 331: trace = 2.65386104865341 (7.69361e-08% change) linmin: converged after 6 iterations. iteration 332: trace = 2.653861046058223 (9.77891e-08% change) linmin: converged after 7 iterations. iteration 333: trace = 2.65386104531301 (2.80803e-08% change) large trace change predicted (1.40742e-07%) linmin: converged after 4 iterations. iteration 334: trace = 2.653861041577919 (1.40742e-07% change) linmin: converged after 3 iterations. iteration 335: trace = 2.653861040199561 (5.19379e-08% change) large trace change predicted (1.39089e-07%) linmin: converged after 2 iterations. iteration 336: trace = 2.653861036508313 (1.3909e-07% change) linmin: converged after 3 iterations. iteration 337: trace = 2.653861031266001 (1.97535e-07% change) linmin: converged after 3 iterations. iteration 338: trace = 2.653861027833178 (1.29352e-07% change) linmin: converged after 4 iterations. iteration 339: trace = 2.653861026543587 (4.8593e-08% change) large trace change predicted (1.67193e-07%) linmin: converged after 2 iterations. iteration 340: trace = 2.653861022106503 (1.67194e-07% change) linmin: converged after 2 iterations. iteration 341: trace = 2.653861019531463 (9.703e-08% change) linmin: converged after 2 iterations. iteration 342: trace = 2.653861018135178 (5.26133e-08% change) linmin: converged after 12 iterations. iteration 343: trace = 2.653861016177038 (7.37846e-08% change) linmin: converged after 2 iterations. iteration 344: trace = 2.653861014648154 (5.76098e-08% change) linmin: converged after 4 iterations. iteration 345: trace = 2.653861013532381 (4.20434e-08% change) linmin: converged after 6 iterations. iteration 346: trace = 2.653861011643799 (7.11635e-08% change) linmin: converged after 22 iterations. iteration 347: trace = 2.653861011277629 (1.37976e-08% change) large trace change predicted (4.42078e-08%) linmin: converged after 4 iterations. iteration 348: trace = 2.653861010104421 (4.42076e-08% change) linmin: converged after 33 iterations. iteration 349: trace = 2.653861008396412 (6.43594e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.653861007754014 (2.42062e-08% change) linmin: converged after 8 iterations. iteration 351: trace = 2.653861006535373 (4.59195e-08% change) linmin: converged after 4 iterations. iteration 352: trace = 2.653861006230148 (1.15012e-08% change) large trace change predicted (2.70606e-08%) linmin: converged after 4 iterations. iteration 353: trace = 2.653861005511998 (2.70606e-08% change) linmin: converged after 2 iterations. iteration 354: trace = 2.653861004289522 (4.6064e-08% change) linmin: converged after 3 iterations. iteration 355: trace = 2.653861003843425 (1.68094e-08% change) large trace change predicted (5.15511e-08%) linmin: converged after 3 iterations. iteration 356: trace = 2.65386100247533 (5.15511e-08% change) linmin: converged after 3 iterations. iteration 357: trace = 2.653861000928064 (5.83025e-08% change) linmin: converged after 2 iterations. iteration 358: trace = 2.653861000299797 (2.36737e-08% change) large trace change predicted (7.03634e-08%) linmin: converged after 4 iterations. iteration 359: trace = 2.653860998432446 (7.03635e-08% change) linmin: converged after 2 iterations. iteration 360: trace = 2.653860996431212 (7.54084e-08% change) linmin: converged after 31 iterations. iteration 361: trace = 2.653860995858524 (2.15794e-08% change) large trace change predicted (7.98723e-08%) linmin: converged after 3 iterations. iteration 362: trace = 2.653860993738825 (7.98723e-08% change) linmin: converged after 3 iterations. iteration 363: trace = 2.653860991674018 (7.78039e-08% change) linmin: converged after 4 iterations. iteration 364: trace = 2.653860991143573 (1.99877e-08% change) large trace change predicted (6.45968e-08%) linmin: converged after 3 iterations. iteration 365: trace = 2.653860989429274 (6.45964e-08% change) linmin: converged after 3 iterations. iteration 366: trace = 2.653860988471134 (3.61036e-08% change) linmin: converged after 20 iterations. iteration 367: trace = 2.653860988073512 (1.49828e-08% change) large trace change predicted (3.7511e-08%) linmin: converged after 3 iterations. iteration 368: trace = 2.653860987078027 (3.75108e-08% change) linmin: converged after 3 iterations. iteration 369: trace = 2.653860986528396 (2.07106e-08% change) linmin: converged after 21 iterations. iteration 370: trace = 2.653860986091291 (1.64705e-08% change) linmin: converged after 23 iterations. iteration 371: trace = 2.653860985561272 (1.99716e-08% change) linmin: converged after 29 iterations. iteration 372: trace = 2.653860985383989 (6.68016e-09% change) large trace change predicted (1.83114e-08%) linmin: converged after 8 iterations. iteration 373: trace = 2.653860984898031 (1.83114e-08% change) linmin: converged after 3 iterations. iteration 374: trace = 2.653860983994281 (3.40542e-08% change) linmin: converged after 27 iterations. iteration 375: trace = 2.653860983793793 (7.55456e-09% change) large trace change predicted (3.92558e-08%) linmin: converged after 17 iterations. iteration 376: trace = 2.653860982751998 (3.92558e-08% change) linmin: converged after 3 iterations. iteration 377: trace = 2.653860981700241 (3.96312e-08% change) linmin: converged after 3 iterations. iteration 378: trace = 2.653860981342773 (1.34697e-08% change) large trace change predicted (7.87387e-08%) linmin: converged after 2 iterations. iteration 379: trace = 2.653860979253156 (7.87387e-08% change) linmin: converged after 4 iterations. iteration 380: trace = 2.653860977426804 (6.88187e-08% change) linmin: converged after 31 iterations. iteration 381: trace = 2.653860976150081 (4.81081e-08% change) linmin: converged after 2 iterations. iteration 382: trace = 2.653860975561217 (2.2189e-08% change) large trace change predicted (6.88371e-08%) linmin: converged after 2 iterations. iteration 383: trace = 2.653860973734375 (6.88371e-08% change) linmin: converged after 4 iterations. iteration 384: trace = 2.653860973144445 (2.22291e-08% change) large trace change predicted (4.78977e-08%) linmin: converged after 3 iterations. iteration 385: trace = 2.653860971873308 (4.78976e-08% change) linmin: converged after 18 iterations. iteration 386: trace = 2.653860970464415 (5.30884e-08% change) linmin: converged after 4 iterations. iteration 387: trace = 2.653860970196491 (1.00956e-08% change) large trace change predicted (2.94344e-08%) linmin: converged after 2 iterations. iteration 388: trace = 2.653860969415343 (2.94344e-08% change) linmin: converged after 6 iterations. iteration 389: trace = 2.653860969163304 (9.4971e-09% change) linmin: converged after 3 iterations. iteration 390: trace = 2.653860968721931 (1.66313e-08% change) linmin: converged after 19 iterations. iteration 391: trace = 2.653860968230719 (1.85093e-08% change) linmin: converged after 4 iterations. iteration 392: trace = 2.653860967829862 (1.51046e-08% change) linmin: converged after 13 iterations. iteration 393: trace = 2.65386096771474 (4.33791e-09% change) large trace change predicted (1.12064e-08%) linmin: converged after 21 iterations. iteration 394: trace = 2.653860967417339 (1.12064e-08% change) linmin: converged after 4 iterations. iteration 395: trace = 2.653860967038607 (1.4271e-08% change) linmin: converged after 8 iterations. iteration 396: trace = 2.653860966876808 (6.09674e-09% change) large trace change predicted (1.97519e-08%) linmin: converged after 6 iterations. iteration 397: trace = 2.653860966352622 (1.97518e-08% change) linmin: converged after 2 iterations. iteration 398: trace = 2.653860965948724 (1.52193e-08% change) linmin: converged after 22 iterations. iteration 399: trace = 2.653860965594904 (1.33323e-08% change) linmin: converged after 13 iterations. iteration 400: trace = 2.653860965067367 (1.98781e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.653860964527554 (2.03407e-08% change) linmin: converged after 4 iterations. iteration 402: trace = 2.653860964359456 (6.33409e-09% change) large trace change predicted (2.74226e-08%) linmin: converged after 14 iterations. iteration 403: trace = 2.653860963631696 (2.74227e-08% change) linmin: converged after 5 iterations. iteration 404: trace = 2.653860963365124 (1.00447e-08% change) linmin: converged after 2 iterations. iteration 405: trace = 2.653860963154491 (7.93685e-09% change) large trace change predicted (1.78088e-08%) linmin: converged after 4 iterations. iteration 406: trace = 2.653860962681867 (1.78089e-08% change) linmin: converged after 6 iterations. iteration 407: trace = 2.653860962585241 (3.64095e-09% change) large trace change predicted (1.08445e-08%) linmin: converged after 7 iterations. iteration 408: trace = 2.653860962297444 (1.08444e-08% change) linmin: converged after 3 iterations. iteration 409: trace = 2.653860962043317 (9.57574e-09% change) linmin: converged after 15 iterations. iteration 410: trace = 2.653860961998546 (1.68702e-09% change) large trace change predicted (6.55028e-09%) linmin: converged after 6 iterations. iteration 411: trace = 2.653860961824712 (6.55022e-09% change) linmin: converged after 4 iterations. iteration 412: trace = 2.653860961729741 (3.57862e-09% change) linmin: converged after 7 iterations. iteration 413: trace = 2.653860961681473 (1.81877e-09% change) large trace change predicted (4.09145e-09%) linmin: converged after 16 iterations. iteration 414: trace = 2.65386096157289 (4.09152e-09% change) linmin: converged after 4 iterations. iteration 415: trace = 2.653860961525542 (1.78411e-09% change) linmin: converged after 6 iterations. iteration 416: trace = 2.653860961441487 (3.16725e-09% change) linmin: converged after 15 iterations. iteration 417: trace = 2.653860961369957 (2.69531e-09% change) linmin: converged after 7 iterations. iteration 418: trace = 2.653860961265035 (3.95359e-09% change) linmin: converged after 5 iterations. iteration 419: trace = 2.653860961233102 (1.20325e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.65386096120336 (1.12069e-09% change) large trace change predicted (3.0261e-09%) linmin: converged after 5 iterations. iteration 421: trace = 2.653860961123051 (3.02612e-09% change) linmin: converged after 6 iterations. iteration 422: trace = 2.653860961055666 (2.53916e-09% change) linmin: converged after 14 iterations. iteration 423: trace = 2.653860961002318 (2.01019e-09% change) linmin: converged after 3 iterations. iteration 424: trace = 2.65386096095672 (1.71817e-09% change) linmin: converged after 4 iterations. iteration 425: trace = 2.653860960878584 (2.94426e-09% change) linmin: converged after 4 iterations. iteration 426: trace = 2.653860960854664 (9.01311e-10% change) large trace change predicted (3.79323e-09%) linmin: converged after 15 iterations. iteration 427: trace = 2.653860960753998 (3.79321e-09% change) linmin: converged after 13 iterations. iteration 428: trace = 2.653860960664026 (3.3902e-09% change) linmin: converged after 4 iterations. iteration 429: trace = 2.653860960621721 (1.59412e-09% change) large trace change predicted (6.53699e-09%) linmin: converged after 12 iterations. iteration 430: trace = 2.653860960448237 (6.53704e-09% change) linmin: converged after 3 iterations. iteration 431: trace = 2.653860960384427 (2.40443e-09% change) large trace change predicted (5.68384e-09%) linmin: converged after 3 iterations. iteration 432: trace = 2.653860960233586 (5.68382e-09% change) linmin: converged after 2 iterations. iteration 433: trace = 2.653860960021614 (7.98731e-09% change) linmin: converged after 16 iterations. iteration 434: trace = 2.653860959944636 (2.9006e-09% change) large trace change predicted (5.95357e-09%) linmin: converged after 2 iterations. iteration 435: trace = 2.653860959786638 (5.95348e-09% change) linmin: converged after 18 iterations. iteration 436: trace = 2.653860959587209 (7.51469e-09% change) linmin: converged after 6 iterations. iteration 437: trace = 2.653860959529844 (2.16158e-09% change) large trace change predicted (7.98842e-09%) linmin: converged after 4 iterations. iteration 438: trace = 2.65386095931784 (7.9885e-09% change) linmin: converged after 3 iterations. iteration 439: trace = 2.653860959204592 (4.26731e-09% change) linmin: converged after 8 iterations. iteration 440: trace = 2.653860959125839 (2.96747e-09% change) linmin: converged after 19 iterations. iteration 441: trace = 2.653860958990546 (5.09797e-09% change) linmin: converged after 6 iterations. iteration 442: trace = 2.653860958928653 (2.33219e-09% change) linmin: converged after 14 iterations. iteration 443: trace = 2.653860958835818 (3.49811e-09% change) linmin: converged after 22 iterations. iteration 444: trace = 2.653860958739894 (3.61451e-09% change) linmin: converged after 4 iterations. iteration 445: trace = 2.653860958691338 (1.82961e-09% change) linmin: converged after 10 iterations. iteration 446: trace = 2.653860958669929 (8.06732e-10% change) large trace change predicted (3.09935e-09%) linmin: converged after 15 iterations. iteration 447: trace = 2.653860958587675 (3.09938e-09% change) linmin: converged after 9 iterations. iteration 448: trace = 2.653860958526129 (2.31914e-09% change) linmin: converged after 5 iterations. iteration 449: trace = 2.653860958498604 (1.03714e-09% change) large trace change predicted (2.66022e-09%) linmin: converged after 16 iterations. iteration 450: trace = 2.653860958428007 (2.66019e-09% change) linmin: converged after 19 iterations. iteration 451: trace = 2.65386095832999 (3.69336e-09% change) linmin: converged after 4 iterations. iteration 452: trace = 2.653860958244165 (3.23397e-09% change) linmin: converged after 21 iterations. iteration 453: trace = 2.65386095817442 (2.62804e-09% change) linmin: converged after 4 iterations. iteration 454: trace = 2.653860958047139 (4.79608e-09% change) linmin: converged after 3 iterations. iteration 455: trace = 2.653860958009575 (1.41544e-09% change) large trace change predicted (4.03173e-09%) linmin: converged after 9 iterations. iteration 456: trace = 2.653860957902578 (4.03175e-09% change) linmin: converged after 16 iterations. iteration 457: trace = 2.653860957804056 (3.71242e-09% change) linmin: converged after 6 iterations. iteration 458: trace = 2.653860957777444 (1.00273e-09% change) large trace change predicted (3.00003e-09%) linmin: converged after 4 iterations. iteration 459: trace = 2.653860957697827 (3.00005e-09% change) linmin: converged after 3 iterations. iteration 460: trace = 2.653860957604774 (3.50633e-09% change) linmin: converged after 10 iterations. iteration 461: trace = 2.65386095759052 (5.37118e-10% change) large trace change predicted (1.62956e-09%) linmin: converged after 3 iterations. iteration 462: trace = 2.653860957547272 (1.62961e-09% change) linmin: converged after 3 iterations. iteration 463: trace = 2.653860957508931 (1.44474e-09% change) linmin: converged after 14 iterations. iteration 464: trace = 2.653860957501165 (2.92606e-10% change) large trace change predicted (1.00201e-09%) linmin: converged after 4 iterations. iteration 465: trace = 2.653860957474572 (1.00208e-09% change) linmin: converged after 7 iterations. iteration 466: trace = 2.653860957459918 (5.52145e-10% change) linmin: converged after 15 iterations. iteration 467: trace = 2.653860957450697 (3.47459e-10% change) linmin: converged after 5 iterations. iteration 468: trace = 2.653860957437653 (4.91536e-10% change) linmin: converged after 6 iterations. iteration 469: trace = 2.653860957429698 (2.99751e-10% change) linmin: converged after 6 iterations. iteration 470: trace = 2.653860957415155 (5.47979e-10% change) linmin: converged after 2 iterations. iteration 471: trace = 2.653860957395375 (7.45336e-10% change) linmin: converged after 9 iterations. iteration 472: trace = 2.653860957389842 (2.08485e-10% change) large trace change predicted (9.08118e-10%) linmin: converged after 6 iterations. iteration 473: trace = 2.653860957365741 (9.08155e-10% change) linmin: converged after 3 iterations. iteration 474: trace = 2.653860957341259 (9.22512e-10% change) linmin: converged after 6 iterations. iteration 475: trace = 2.653860957332617 (3.25638e-10% change) large trace change predicted (1.53152e-09%) linmin: converged after 6 iterations. iteration 476: trace = 2.653860957291968 (1.53169e-09% change) linmin: converged after 3 iterations. iteration 477: trace = 2.653860957263744 (1.06351e-09% change) linmin: converged after 5 iterations. iteration 478: trace = 2.653860957229201 (1.30161e-09% change) linmin: converged after 4 iterations. iteration 479: trace = 2.653860957221559 (2.87954e-10% change) large trace change predicted (9.55324e-10%) linmin: converged after 4 iterations. iteration 480: trace = 2.653860957196203 (9.55444e-10% change) linmin: converged after 6 iterations. iteration 481: trace = 2.653860957171275 (9.39279e-10% change) linmin: converged after 3 iterations. iteration 482: trace = 2.653860957165084 (2.33301e-10% change) large trace change predicted (8.92355e-10%) linmin: converged after 4 iterations. iteration 483: trace = 2.653860957141402 (8.92358e-10% change) linmin: converged after 13 iterations. iteration 484: trace = 2.653860957132954 (3.18325e-10% change) linmin: converged after 3 iterations. iteration 485: trace = 2.65386095712573 (2.72207e-10% change) linmin: converged after 5 iterations. iteration 486: trace = 2.653860957117032 (3.27763e-10% change) linmin: converged after 7 iterations. iteration 487: trace = 2.65386095711466 (8.93747e-11% change) Finished solving for bands 1 to 10 after 487 iterations. tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323 elapsed time for k point: 4.108085870742798 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.767191359900659 (3.67887% change) linmin: converged after 6 iterations. iteration 2: trace = 2.669057064223724 (3.61037% change) linmin: converged after 5 iterations. iteration 3: trace = 2.6036257943754 (2.4819% change) linmin: converged after 4 iterations. iteration 4: trace = 2.589397473453344 (0.547978% change) linmin: converged after 11 iterations. iteration 5: trace = 2.564425798223957 (0.969054% change) linmin: converged after 4 iterations. iteration 6: trace = 2.56227099255405 (0.0840621% change) large trace change predicted (0.183586%) linmin: converged after 4 iterations. iteration 7: trace = 2.557519451191472 (0.185615% change) linmin: converged after 4 iterations. iteration 8: trace = 2.553381147519061 (0.16194% change) linmin: converged after 4 iterations. iteration 9: trace = 2.551758112059498 (0.0635844% change) linmin: converged after 4 iterations. iteration 10: trace = 2.548676087501944 (0.120853% change) linmin: converged after 4 iterations. iteration 11: trace = 2.547042194197328 (0.0641281% change) linmin: converged after 4 iterations. iteration 12: trace = 2.545109356631263 (0.0759144% change) linmin: converged after 4 iterations. iteration 13: trace = 2.543744816460272 (0.0536286% change) linmin: converged after 4 iterations. iteration 14: trace = 2.543493514467712 (0.0098797% change) large trace change predicted (0.0326856%) linmin: converged after 4 iterations. iteration 15: trace = 2.542654794913648 (0.0329805% change) linmin: converged after 3 iterations. iteration 16: trace = 2.542233369303156 (0.0165756% change) linmin: converged after 3 iterations. iteration 17: trace = 2.54198941747568 (0.00959643% change) large trace change predicted (0.0296921%) linmin: converged after 4 iterations. iteration 18: trace = 2.541222802269298 (0.0301626% change) linmin: converged after 3 iterations. iteration 19: trace = 2.540916664973665 (0.0120476% change) linmin: converged after 4 iterations. iteration 20: trace = 2.540420029329066 (0.0195474% change) linmin: converged after 3 iterations. iteration 21: trace = 2.540069529024041 (0.0137979% change) linmin: converged after 4 iterations. iteration 22: trace = 2.539913073190493 (0.0061597% change) large trace change predicted (0.0132669%) linmin: converged after 3 iterations. iteration 23: trace = 2.539574117819785 (0.013346% change) linmin: converged after 3 iterations. iteration 24: trace = 2.53932004151427 (0.0100052% change) linmin: converged after 3 iterations. iteration 25: trace = 2.539190024559254 (0.00512028% change) large trace change predicted (0.0109152%) linmin: converged after 3 iterations. iteration 26: trace = 2.538911967599464 (0.0109512% change) linmin: converged after 3 iterations. iteration 27: trace = 2.538826425514922 (0.0033693% change) large trace change predicted (0.00728319%) linmin: converged after 3 iterations. iteration 28: trace = 2.538640782043356 (0.00731244% change) linmin: converged after 3 iterations. iteration 29: trace = 2.538415985022709 (0.00885541% change) linmin: converged after 4 iterations. iteration 30: trace = 2.538329548016399 (0.00340521% change) large trace change predicted (0.0126402%) linmin: converged after 5 iterations. iteration 31: trace = 2.538007524605835 (0.0126872% change) linmin: converged after 3 iterations. iteration 32: trace = 2.537917134122857 (0.00356154% change) large trace change predicted (0.011859%) linmin: converged after 4 iterations. iteration 33: trace = 2.53761538877912 (0.0118902% change) linmin: converged after 9 iterations. iteration 34: trace = 2.537446537580793 (0.00665415% change) linmin: converged after 4 iterations. iteration 35: trace = 2.53733737654493 (0.0043021% change) large trace change predicted (0.010611%) linmin: converged after 3 iterations. iteration 36: trace = 2.537067938271674 (0.0106195% change) linmin: converged after 3 iterations. iteration 37: trace = 2.536999338605757 (0.00270393% change) large trace change predicted (0.0111008%) linmin: converged after 6 iterations. iteration 38: trace = 2.536717301342011 (0.0111176% change) linmin: converged after 4 iterations. iteration 39: trace = 2.536633649504292 (0.0032977% change) linmin: converged after 3 iterations. iteration 40: trace = 2.536477740090534 (0.0061465% change) linmin: converged after 3 iterations. iteration 41: trace = 2.536329147050624 (0.00585842% change) linmin: converged after 3 iterations. iteration 42: trace = 2.536150129902496 (0.00705837% change) linmin: converged after 3 iterations. iteration 43: trace = 2.535989187472811 (0.00634614% change) linmin: converged after 3 iterations. iteration 44: trace = 2.535865636101641 (0.00487204% change) linmin: converged after 3 iterations. iteration 45: trace = 2.535703129977313 (0.00640852% change) linmin: converged after 3 iterations. iteration 46: trace = 2.535652164602485 (0.00200993% change) large trace change predicted (0.00754011%) linmin: converged after 4 iterations. iteration 47: trace = 2.535461020443776 (0.00753855% change) linmin: converged after 4 iterations. iteration 48: trace = 2.535421690439817 (0.00155121% change) large trace change predicted (0.00506197%) linmin: converged after 3 iterations. iteration 49: trace = 2.535293406506491 (0.0050598% change) linmin: converged after 3 iterations. iteration 50: trace = 2.53521276212383 (0.00318092% change) linmin: converged after 4 iterations. iteration 51: trace = 2.535125004471859 (0.00346161% change) linmin: converged after 4 iterations. iteration 52: trace = 2.534950838492999 (0.00687035% change) linmin: converged after 4 iterations. iteration 53: trace = 2.534873055670356 (0.00306846% change) large trace change predicted (0.00863854%) linmin: converged after 4 iterations. iteration 54: trace = 2.534655203323289 (0.00859458% change) linmin: converged after 4 iterations. iteration 55: trace = 2.534598318427521 (0.00224431% change) large trace change predicted (0.00574944%) linmin: converged after 4 iterations. iteration 56: trace = 2.534453093072873 (0.00572988% change) linmin: converged after 4 iterations. iteration 57: trace = 2.534390064333639 (0.00248691% change) linmin: converged after 4 iterations. iteration 58: trace = 2.534330715143176 (0.00234178% change) linmin: converged after 5 iterations. iteration 59: trace = 2.534233925355487 (0.00381922% change) linmin: converged after 4 iterations. iteration 60: trace = 2.534207639918007 (0.00103722% change) large trace change predicted (0.00309781%) linmin: converged after 3 iterations. iteration 61: trace = 2.534129177793587 (0.00309617% change) linmin: converged after 4 iterations. iteration 62: trace = 2.534095627014707 (0.00132397% change) large trace change predicted (0.00285521%) linmin: converged after 4 iterations. iteration 63: trace = 2.534023338423374 (0.00285268% change) linmin: converged after 4 iterations. iteration 64: trace = 2.533957962271697 (0.00257997% change) linmin: converged after 4 iterations. iteration 65: trace = 2.533883349405139 (0.00294456% change) linmin: converged after 4 iterations. iteration 66: trace = 2.533772553908711 (0.00437265% change) linmin: converged after 4 iterations. iteration 67: trace = 2.533730619638856 (0.00165503% change) linmin: converged after 3 iterations. iteration 68: trace = 2.53365910557683 (0.00282252% change) linmin: converged after 3 iterations. iteration 69: trace = 2.533617326462081 (0.00164898% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.533588468127561 (0.00113902% change) linmin: converged after 3 iterations. iteration 71: trace = 2.533564612631144 (0.000941574% change) linmin: converged after 5 iterations. iteration 72: trace = 2.533539565827279 (0.000988604% change) linmin: converged after 3 iterations. iteration 73: trace = 2.533522851944827 (0.000659707% change) large trace change predicted (0.00183858%) linmin: converged after 3 iterations. iteration 74: trace = 2.533476190230128 (0.00184179% change) linmin: converged after 5 iterations. iteration 75: trace = 2.533464116338791 (0.000476575% change) large trace change predicted (0.0027524%) linmin: converged after 3 iterations. iteration 76: trace = 2.533394140496579 (0.0027621% change) linmin: converged after 3 iterations. iteration 77: trace = 2.533360152124861 (0.00134162% change) linmin: converged after 3 iterations. iteration 78: trace = 2.533332216909686 (0.0011027% change) large trace change predicted (0.00246271%) linmin: converged after 3 iterations. iteration 79: trace = 2.533269550951909 (0.00247369% change) linmin: converged after 4 iterations. iteration 80: trace = 2.53321757351669 (0.00205181% change) linmin: converged after 3 iterations. iteration 81: trace = 2.533191311732387 (0.0010367% change) large trace change predicted (0.00237279%) linmin: converged after 4 iterations. iteration 82: trace = 2.533130954946341 (0.00238267% change) linmin: converged after 3 iterations. iteration 83: trace = 2.533112979858068 (0.000709602% change) linmin: converged after 3 iterations. iteration 84: trace = 2.53308883005004 (0.000953369% change) linmin: converged after 3 iterations. iteration 85: trace = 2.533060203136364 (0.00113013% change) linmin: converged after 3 iterations. iteration 86: trace = 2.533052321591619 (0.000311148% change) large trace change predicted (0.000755847%) linmin: converged after 3 iterations. iteration 87: trace = 2.533033164984285 (0.000756269% change) linmin: converged after 3 iterations. iteration 88: trace = 2.533014475231882 (0.000737844% change) linmin: converged after 3 iterations. iteration 89: trace = 2.533001356101632 (0.000517927% change) linmin: converged after 5 iterations. iteration 90: trace = 2.532976196411763 (0.000993281% change) linmin: converged after 3 iterations. iteration 91: trace = 2.532972346128114 (0.000152006% change) large trace change predicted (0.000749754%) linmin: converged after 4 iterations. iteration 92: trace = 2.532953368903722 (0.000749211% change) linmin: converged after 4 iterations. iteration 93: trace = 2.53293491010202 (0.000728749% change) linmin: converged after 4 iterations. iteration 94: trace = 2.532926881902547 (0.000316953% change) large trace change predicted (0.00178242%) linmin: converged after 4 iterations. iteration 95: trace = 2.532881914444002 (0.00177533% change) linmin: converged after 4 iterations. iteration 96: trace = 2.53285830046675 (0.000932301% change) linmin: converged after 4 iterations. iteration 97: trace = 2.532819784042777 (0.00152068% change) linmin: converged after 4 iterations. iteration 98: trace = 2.532786188462793 (0.00132642% change) linmin: converged after 7 iterations. iteration 99: trace = 2.532774276665058 (0.000470305% change) large trace change predicted (0.00101682%) linmin: converged after 4 iterations. iteration 100: trace = 2.532748567800271 (0.00101505% change) linmin: converged after 4 iterations. iteration 101: trace = 2.532735567534749 (0.000513288% change) linmin: converged after 8 iterations. iteration 102: trace = 2.53272593241923 (0.000380424% change) linmin: converged after 3 iterations. iteration 103: trace = 2.532712921241087 (0.000513724% change) linmin: converged after 3 iterations. iteration 104: trace = 2.532704524689957 (0.000331525% change) linmin: converged after 3 iterations. iteration 105: trace = 2.532697408516166 (0.000280972% change) large trace change predicted (0.000634814%) linmin: converged after 3 iterations. iteration 106: trace = 2.53268133815653 (0.000634518% change) linmin: converged after 3 iterations. iteration 107: trace = 2.532678232660709 (0.000122617% change) large trace change predicted (0.00036579%) linmin: converged after 7 iterations. iteration 108: trace = 2.532668970184757 (0.000365719% change) linmin: converged after 5 iterations. iteration 109: trace = 2.5326625880607 (0.000251992% change) linmin: converged after 3 iterations. iteration 110: trace = 2.532659590556519 (0.000118354% change) large trace change predicted (0.000484599%) linmin: converged after 3 iterations. iteration 111: trace = 2.532647313475453 (0.000484752% change) linmin: converged after 10 iterations. iteration 112: trace = 2.532643041072099 (0.000168693% change) large trace change predicted (0.00119252%) linmin: converged after 3 iterations. iteration 113: trace = 2.532612820652287 (0.00119324% change) linmin: converged after 3 iterations. iteration 114: trace = 2.532592046086573 (0.000820285% change) linmin: converged after 3 iterations. iteration 115: trace = 2.532581446501127 (0.000418528% change) large trace change predicted (0.00102425%) linmin: converged after 3 iterations. iteration 116: trace = 2.532555476505645 (0.00102544% change) linmin: converged after 3 iterations. iteration 117: trace = 2.532535088789213 (0.000805029% change) linmin: converged after 3 iterations. iteration 118: trace = 2.532524446015346 (0.000420243% change) linmin: converged after 6 iterations. iteration 119: trace = 2.532503170490255 (0.000840095% change) linmin: converged after 4 iterations. iteration 120: trace = 2.532499362408514 (0.000150368% change) large trace change predicted (0.000429286%) linmin: converged after 4 iterations. iteration 121: trace = 2.532488488638697 (0.00042937% change) linmin: converged after 3 iterations. iteration 122: trace = 2.532482069110036 (0.000253487% change) linmin: converged after 7 iterations. iteration 123: trace = 2.532479968273738 (8.29557e-05% change) large trace change predicted (0.000283652%) linmin: converged after 3 iterations. iteration 124: trace = 2.532472781286882 (0.000283793% change) linmin: converged after 3 iterations. iteration 125: trace = 2.532467453403485 (0.000210383% change) linmin: converged after 3 iterations. iteration 126: trace = 2.532465630899168 (7.19656e-05% change) large trace change predicted (0.000443994%) linmin: converged after 3 iterations. iteration 127: trace = 2.532454369363875 (0.000444688% change) linmin: converged after 3 iterations. iteration 128: trace = 2.532452533273903 (7.25024e-05% change) large trace change predicted (0.00033789%) linmin: converged after 7 iterations. iteration 129: trace = 2.532443971907508 (0.000338067% change) linmin: converged after 3 iterations. iteration 130: trace = 2.532434760005974 (0.000363756% change) linmin: converged after 3 iterations. iteration 131: trace = 2.532431818985799 (0.000116134% change) large trace change predicted (0.000512254%) linmin: converged after 4 iterations. iteration 132: trace = 2.532418827376971 (0.000513011% change) linmin: converged after 4 iterations. iteration 133: trace = 2.53241349546081 (0.000210547% change) large trace change predicted (0.000489508%) linmin: converged after 4 iterations. iteration 134: trace = 2.532401094202394 (0.000489702% change) linmin: converged after 4 iterations. iteration 135: trace = 2.532386160309443 (0.000589715% change) linmin: converged after 5 iterations. iteration 136: trace = 2.532381530256168 (0.000182834% change) linmin: converged after 4 iterations. iteration 137: trace = 2.532372862130214 (0.000342292% change) linmin: converged after 4 iterations. iteration 138: trace = 2.532367974423152 (0.000193009% change) linmin: converged after 3 iterations. iteration 139: trace = 2.532366678583778 (5.11711e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.5323656712027 (3.97802e-05% change) linmin: converged after 10 iterations. iteration 141: trace = 2.532363827393374 (7.28098e-05% change) linmin: converged after 5 iterations. iteration 142: trace = 2.532360999875571 (0.000111655% change) linmin: converged after 4 iterations. iteration 143: trace = 2.532359796989182 (4.75006e-05% change) large trace change predicted (0.000180444%) linmin: converged after 3 iterations. iteration 144: trace = 2.532355227940748 (0.000180427% change) linmin: converged after 4 iterations. iteration 145: trace = 2.532352211255246 (0.000119126% change) linmin: converged after 4 iterations. iteration 146: trace = 2.532349362290318 (0.000112503% change) large trace change predicted (0.000233004%) linmin: converged after 3 iterations. iteration 147: trace = 2.532343463407119 (0.000232941% change) linmin: converged after 4 iterations. iteration 148: trace = 2.532342115130471 (5.32423e-05% change) large trace change predicted (0.000204419%) linmin: converged after 3 iterations. iteration 149: trace = 2.532336939884447 (0.000204366% change) linmin: converged after 3 iterations. iteration 150: trace = 2.53233335996828 (0.000141368% change) linmin: converged after 3 iterations. iteration 151: trace = 2.532332046545821 (5.18661e-05% change) large trace change predicted (0.000151303%) linmin: converged after 3 iterations. iteration 152: trace = 2.532328217478827 (0.000151207% change) linmin: converged after 3 iterations. iteration 153: trace = 2.532325426354618 (0.00011022% change) linmin: converged after 4 iterations. iteration 154: trace = 2.532323591078181 (7.2474e-05% change) linmin: converged after 6 iterations. iteration 155: trace = 2.532320460236503 (0.000123635% change) linmin: converged after 3 iterations. iteration 156: trace = 2.532319684421553 (3.06365e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.53231850448854 (4.6595e-05% change) linmin: converged after 4 iterations. iteration 158: trace = 2.532316968026178 (6.06742e-05% change) linmin: converged after 5 iterations. iteration 159: trace = 2.532316667577852 (1.18646e-05% change) large trace change predicted (5.68741e-05%) linmin: converged after 5 iterations. iteration 160: trace = 2.532315227301718 (5.68758e-05% change) linmin: converged after 10 iterations. iteration 161: trace = 2.532314452183978 (3.06091e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.532313521937153 (3.67351e-05% change) large trace change predicted (8.54363e-05%) linmin: converged after 3 iterations. iteration 163: trace = 2.532311358502254 (8.54332e-05% change) linmin: converged after 9 iterations. iteration 164: trace = 2.532309834643512 (6.01766e-05% change) linmin: converged after 2 iterations. iteration 165: trace = 2.532308435807828 (5.52395e-05% change) large trace change predicted (0.000170648%) linmin: converged after 3 iterations. iteration 166: trace = 2.532304113761198 (0.000170676% change) linmin: converged after 4 iterations. iteration 167: trace = 2.532303035533439 (4.25789e-05% change) large trace change predicted (0.000112857%) linmin: converged after 4 iterations. iteration 168: trace = 2.532300177212031 (0.000112874% change) linmin: converged after 3 iterations. iteration 169: trace = 2.532297956753474 (8.76855e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.532297190420216 (3.02624e-05% change) large trace change predicted (6.61834e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.532295514663681 (6.61754e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.53229378477196 (6.83132e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.53229233940271 (5.70775e-05% change) linmin: converged after 3 iterations. iteration 174: trace = 2.532290202829727 (8.43731e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.532289883242941 (1.26205e-05% change) large trace change predicted (5.84582e-05%) linmin: converged after 3 iterations. iteration 176: trace = 2.532288402834586 (5.84613e-05% change) linmin: converged after 4 iterations. iteration 177: trace = 2.532287712160898 (2.72747e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.532287402678403 (1.22215e-05% change) large trace change predicted (4.26133e-05%) linmin: converged after 3 iterations. iteration 179: trace = 2.532286323488426 (4.26172e-05% change) linmin: converged after 3 iterations. iteration 180: trace = 2.532285455180427 (3.42895e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.532284512810181 (3.72142e-05% change) large trace change predicted (0.000114098%) linmin: converged after 3 iterations. iteration 182: trace = 2.532281620534402 (0.000114216% change) linmin: converged after 3 iterations. iteration 183: trace = 2.532280807946858 (3.20892e-05% change) large trace change predicted (0.000118636%) linmin: converged after 4 iterations. iteration 184: trace = 2.532277799570789 (0.000118801% change) linmin: converged after 4 iterations. iteration 185: trace = 2.532275098425584 (0.000106669% change) linmin: converged after 4 iterations. iteration 186: trace = 2.532274133967233 (3.80866e-05% change) large trace change predicted (0.00010206%) linmin: converged after 14 iterations. iteration 187: trace = 2.532271546585648 (0.000102176% change) linmin: converged after 4 iterations. iteration 188: trace = 2.532270062907924 (5.85908e-05% change) linmin: converged after 5 iterations. iteration 189: trace = 2.532268229544497 (7.24e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.532265425303058 (0.00011074% change) linmin: converged after 4 iterations. iteration 191: trace = 2.532264922135603 (1.98703e-05% change) large trace change predicted (5.89621e-05%) linmin: converged after 3 iterations. iteration 192: trace = 2.53226342902136 (5.89636e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.532262589103189 (3.31687e-05% change) linmin: converged after 5 iterations. iteration 194: trace = 2.532262136739078 (1.7864e-05% change) large trace change predicted (4.74429e-05%) linmin: converged after 4 iterations. iteration 195: trace = 2.53226093556069 (4.7435e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.532260514572423 (1.6625e-05% change) large trace change predicted (5.60629e-05%) linmin: converged after 4 iterations. iteration 197: trace = 2.532259095148723 (5.60536e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.532257795808561 (5.13115e-05% change) linmin: converged after 16 iterations. iteration 199: trace = 2.532257349839052 (1.76115e-05% change) large trace change predicted (5.00381e-05%) linmin: converged after 5 iterations. iteration 200: trace = 2.532256083315164 (5.00156e-05% change) linmin: converged after 4 iterations. iteration 201: trace = 2.53225471311544 (5.41099e-05% change) linmin: converged after 5 iterations. iteration 202: trace = 2.532254055080478 (2.59861e-05% change) large trace change predicted (7.93994e-05%) linmin: converged after 4 iterations. iteration 203: trace = 2.532252046538988 (7.93184e-05% change) linmin: converged after 4 iterations. iteration 204: trace = 2.532251132078102 (3.61126e-05% change) large trace change predicted (8.34618e-05%) linmin: converged after 5 iterations. iteration 205: trace = 2.532249020689084 (8.338e-05% change) linmin: converged after 14 iterations. iteration 206: trace = 2.532247674082002 (5.31783e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.532247142085046 (2.10089e-05% change) linmin: converged after 5 iterations. iteration 208: trace = 2.532246410139991 (2.8905e-05% change) linmin: converged after 4 iterations. iteration 209: trace = 2.532245665239943 (2.94166e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 2.532245345449662 (1.26287e-05% change) linmin: converged after 9 iterations. iteration 211: trace = 2.532244899809545 (1.75986e-05% change) linmin: converged after 2 iterations. iteration 212: trace = 2.532244695798735 (8.05652e-06% change) large trace change predicted (1.94182e-05%) linmin: converged after 3 iterations. iteration 213: trace = 2.532244204011934 (1.9421e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.53224352686151 (2.67411e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.532243327629037 (7.86782e-06% change) large trace change predicted (3.44148e-05%) linmin: converged after 3 iterations. iteration 216: trace = 2.532242455904719 (3.4425e-05% change) linmin: converged after 3 iterations. iteration 217: trace = 2.532241893073738 (2.22266e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.532241540381099 (1.39281e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.532240847812051 (2.735e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.532240502077886 (1.36533e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.532239869330575 (2.49876e-05% change) linmin: converged after 6 iterations. iteration 222: trace = 2.532239139337781 (2.8828e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.532238929368865 (8.29183e-06% change) large trace change predicted (2.61701e-05%) linmin: converged after 4 iterations. iteration 224: trace = 2.532238266463561 (2.61786e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.53223793257309 (1.31856e-05% change) linmin: converged after 4 iterations. iteration 226: trace = 2.532237643121048 (1.14307e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.53223733580369 (1.21362e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 2.532237055924255 (1.10527e-05% change) linmin: converged after 5 iterations. iteration 229: trace = 2.532236979449607 (3.02004e-06% change) large trace change predicted (1.51042e-05%) linmin: converged after 5 iterations. iteration 230: trace = 2.53223659699959 (1.51032e-05% change) linmin: converged after 12 iterations. iteration 231: trace = 2.532236530951999 (2.60827e-06% change) large trace change predicted (1.41746e-05%) linmin: converged after 5 iterations. iteration 232: trace = 2.532236172095298 (1.41715e-05% change) linmin: converged after 4 iterations. iteration 233: trace = 2.532235854177413 (1.25548e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.532235719088886 (5.33475e-06% change) large trace change predicted (1.82457e-05%) linmin: converged after 5 iterations. iteration 235: trace = 2.532235257295151 (1.82366e-05% change) linmin: converged after 4 iterations. iteration 236: trace = 2.532234707562479 (2.17094e-05% change) linmin: converged after 4 iterations. iteration 237: trace = 2.532234531669597 (6.94615e-06% change) large trace change predicted (1.71871e-05%) linmin: converged after 6 iterations. iteration 238: trace = 2.532234096642287 (1.71796e-05% change) linmin: converged after 6 iterations. iteration 239: trace = 2.532233937626063 (6.27968e-06% change) linmin: converged after 3 iterations. iteration 240: trace = 2.532233784020798 (6.066e-06% change) linmin: converged after 4 iterations. iteration 241: trace = 2.532233579794711 (8.06506e-06% change) linmin: converged after 10 iterations. iteration 242: trace = 2.532233484638245 (3.75781e-06% change) linmin: converged after 4 iterations. iteration 243: trace = 2.53223335469467 (5.13158e-06% change) linmin: converged after 10 iterations. iteration 244: trace = 2.53223313150978 (8.81376e-06% change) linmin: converged after 8 iterations. iteration 245: trace = 2.532233101193213 (1.19723e-06% change) large trace change predicted (6.51414e-06%) linmin: converged after 5 iterations. iteration 246: trace = 2.532232936256826 (6.51348e-06% change) linmin: converged after 6 iterations. iteration 247: trace = 2.532232878239224 (2.29116e-06% change) linmin: converged after 6 iterations. iteration 248: trace = 2.532232795963472 (3.24914e-06% change) linmin: converged after 3 iterations. iteration 249: trace = 2.532232690068687 (4.18187e-06% change) linmin: converged after 3 iterations. iteration 250: trace = 2.532232634361 (2.19994e-06% change) large trace change predicted (6.51456e-06%) linmin: converged after 4 iterations. iteration 251: trace = 2.532232469379299 (6.51527e-06% change) linmin: converged after 13 iterations. iteration 252: trace = 2.532232171498215 (1.17636e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.532232090922851 (3.18199e-06% change) large trace change predicted (1.30667e-05%) linmin: converged after 7 iterations. iteration 254: trace = 2.532231760069726 (1.30657e-05% change) linmin: converged after 9 iterations. iteration 255: trace = 2.532231539224154 (8.72138e-06% change) linmin: converged after 4 iterations. iteration 256: trace = 2.532231468457076 (2.79465e-06% change) large trace change predicted (5.60886e-06%) linmin: converged after 3 iterations. iteration 257: trace = 2.532231326428751 (5.60882e-06% change) linmin: converged after 2 iterations. iteration 258: trace = 2.532231207253 (4.70635e-06% change) linmin: converged after 17 iterations. iteration 259: trace = 2.532231177541257 (1.17334e-06% change) large trace change predicted (4.44584e-06%) linmin: converged after 16 iterations. iteration 260: trace = 2.532231064958411 (4.44599e-06% change) linmin: converged after 5 iterations. iteration 261: trace = 2.532230986862467 (3.08408e-06% change) linmin: converged after 12 iterations. iteration 262: trace = 2.5322309632879 (9.3098e-07% change) large trace change predicted (3.2661e-06%) linmin: converged after 7 iterations. iteration 263: trace = 2.532230880576092 (3.26636e-06% change) linmin: converged after 2 iterations. iteration 264: trace = 2.532230807471777 (2.88695e-06% change) linmin: converged after 6 iterations. iteration 265: trace = 2.532230779813869 (1.09223e-06% change) large trace change predicted (6.33723e-06%) linmin: converged after 3 iterations. iteration 266: trace = 2.532230619326621 (6.33778e-06% change) linmin: converged after 26 iterations. iteration 267: trace = 2.532230594093199 (9.9649e-07% change) large trace change predicted (6.44572e-06%) linmin: converged after 6 iterations. iteration 268: trace = 2.532230430863963 (6.44607e-06% change) linmin: converged after 5 iterations. iteration 269: trace = 2.53223033140914 (3.92756e-06% change) linmin: converged after 4 iterations. iteration 270: trace = 2.532230289677092 (1.64804e-06% change) large trace change predicted (6.77669e-06%) linmin: converged after 3 iterations. iteration 271: trace = 2.532230118058079 (6.77739e-06% change) linmin: converged after 9 iterations. iteration 272: trace = 2.532229989424859 (5.07984e-06% change) linmin: converged after 4 iterations. iteration 273: trace = 2.532229883447351 (4.18515e-06% change) linmin: converged after 4 iterations. iteration 274: trace = 2.532229738918634 (5.70757e-06% change) linmin: converged after 4 iterations. iteration 275: trace = 2.532229696400672 (1.67907e-06% change) large trace change predicted (3.58218e-06%) linmin: converged after 3 iterations. iteration 276: trace = 2.532229605686134 (3.5824e-06% change) linmin: converged after 19 iterations. iteration 277: trace = 2.532229549961051 (2.20063e-06% change) linmin: converged after 4 iterations. iteration 278: trace = 2.532229529455688 (8.09775e-07% change) large trace change predicted (4.12313e-06%) linmin: converged after 21 iterations. iteration 279: trace = 2.532229425049344 (4.1231e-06% change) resetting CG direction... linmin: converged after 17 iterations. iteration 280: trace = 2.532229362204813 (2.48179e-06% change) linmin: converged after 4 iterations. iteration 281: trace = 2.532229350153655 (4.75911e-07% change) large trace change predicted (1.67039e-06%) linmin: converged after 3 iterations. iteration 282: trace = 2.532229307855861 (1.67038e-06% change) linmin: converged after 17 iterations. iteration 283: trace = 2.532229254072699 (2.12395e-06% change) linmin: converged after 7 iterations. iteration 284: trace = 2.532229231474435 (8.92426e-07% change) large trace change predicted (3.1065e-06%) linmin: converged after 6 iterations. iteration 285: trace = 2.532229152810758 (3.1065e-06% change) linmin: converged after 4 iterations. iteration 286: trace = 2.532229109479215 (1.7112e-06% change) large trace change predicted (3.49746e-06%) linmin: converged after 6 iterations. iteration 287: trace = 2.532229020913346 (3.49755e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.532228933740109 (3.44255e-06% change) linmin: converged after 12 iterations. iteration 289: trace = 2.53222889713511 (1.44556e-06% change) linmin: converged after 8 iterations. iteration 290: trace = 2.532228825799343 (2.81711e-06% change) linmin: converged after 3 iterations. iteration 291: trace = 2.532228755625285 (2.77124e-06% change) linmin: converged after 6 iterations. iteration 292: trace = 2.532228736767303 (7.44719e-07% change) large trace change predicted (3.00507e-06%) linmin: converged after 7 iterations. iteration 293: trace = 2.532228660678591 (3.00481e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.532228623543513 (1.4665e-06% change) linmin: converged after 6 iterations. iteration 295: trace = 2.532228592945206 (1.20835e-06% change) linmin: converged after 4 iterations. iteration 296: trace = 2.53222856418664 (1.1357e-06% change) linmin: converged after 9 iterations. iteration 297: trace = 2.532228553659108 (4.15742e-07% change) large trace change predicted (9.04462e-07%) linmin: converged after 3 iterations. iteration 298: trace = 2.532228530756682 (9.04438e-07% change) linmin: converged after 4 iterations. iteration 299: trace = 2.532228493908192 (1.45518e-06% change) linmin: converged after 5 iterations. iteration 300: trace = 2.532228484872204 (3.56839e-07% change) large trace change predicted (1.54468e-06%) linmin: converged after 3 iterations. iteration 301: trace = 2.532228445757557 (1.54467e-06% change) linmin: converged after 8 iterations. iteration 302: trace = 2.532228398579518 (1.8631e-06% change) linmin: converged after 3 iterations. iteration 303: trace = 2.532228375061216 (9.28759e-07% change) large trace change predicted (2.40083e-06%) linmin: converged after 3 iterations. iteration 304: trace = 2.532228314269831 (2.40071e-06% change) linmin: converged after 15 iterations. iteration 305: trace = 2.532228278825191 (1.39974e-06% change) linmin: converged after 6 iterations. iteration 306: trace = 2.532228231187256 (1.88127e-06% change) linmin: converged after 8 iterations. iteration 307: trace = 2.532228155039439 (3.00715e-06% change) linmin: converged after 4 iterations. iteration 308: trace = 2.532228098603846 (2.22869e-06% change) linmin: converged after 16 iterations. iteration 309: trace = 2.532228090223597 (3.30944e-07% change) large trace change predicted (1.12239e-06%) linmin: converged after 4 iterations. iteration 310: trace = 2.532228061802467 (1.12238e-06% change) linmin: converged after 5 iterations. iteration 311: trace = 2.532228037889213 (9.44356e-07% change) linmin: converged after 4 iterations. iteration 312: trace = 2.532228030532646 (2.90518e-07% change) large trace change predicted (1.35133e-06%) linmin: converged after 8 iterations. iteration 313: trace = 2.532227996313136 (1.35136e-06% change) linmin: converged after 5 iterations. iteration 314: trace = 2.532227981769021 (5.7436e-07% change) large trace change predicted (1.58129e-06%) linmin: converged after 13 iterations. iteration 315: trace = 2.532227941725563 (1.58135e-06% change) linmin: converged after 4 iterations. iteration 316: trace = 2.532227904101084 (1.48583e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.532227887641151 (6.50018e-07% change) large trace change predicted (1.68426e-06%) linmin: converged after 5 iterations. iteration 318: trace = 2.532227844987628 (1.68443e-06% change) linmin: converged after 4 iterations. iteration 319: trace = 2.532227801022949 (1.73621e-06% change) linmin: converged after 3 iterations. iteration 320: trace = 2.532227786637012 (5.68114e-07% change) large trace change predicted (2.19015e-06%) linmin: converged after 4 iterations. iteration 321: trace = 2.532227731169816 (2.19045e-06% change) linmin: converged after 5 iterations. iteration 322: trace = 2.532227706764721 (9.6378e-07% change) large trace change predicted (1.98688e-06%) linmin: converged after 5 iterations. iteration 323: trace = 2.532227656443491 (1.98723e-06% change) linmin: converged after 3 iterations. iteration 324: trace = 2.532227600649281 (2.20336e-06% change) linmin: converged after 20 iterations. iteration 325: trace = 2.532227572868166 (1.0971e-06% change) linmin: converged after 4 iterations. iteration 326: trace = 2.532227558116004 (5.82576e-07% change) large trace change predicted (1.47491e-06%) linmin: converged after 6 iterations. iteration 327: trace = 2.532227520766182 (1.47498e-06% change) linmin: converged after 4 iterations. iteration 328: trace = 2.53222751507689 (2.24675e-07% change) large trace change predicted (1.10161e-06%) linmin: converged after 7 iterations. iteration 329: trace = 2.532227487181792 (1.1016e-06% change) linmin: converged after 4 iterations. iteration 330: trace = 2.532227467600348 (7.73289e-07% change) linmin: converged after 5 iterations. iteration 331: trace = 2.532227456960113 (4.20193e-07% change) large trace change predicted (1.04908e-06%) linmin: converged after 5 iterations. iteration 332: trace = 2.532227430395588 (1.04906e-06% change) linmin: converged after 6 iterations. iteration 333: trace = 2.532227394851205 (1.40368e-06% change) linmin: converged after 14 iterations. iteration 334: trace = 2.532227385067134 (3.86382e-07% change) large trace change predicted (2.53429e-06%) linmin: converged after 7 iterations. iteration 335: trace = 2.532227320902832 (2.53391e-06% change) linmin: converged after 5 iterations. iteration 336: trace = 2.532227305219125 (6.19364e-07% change) large trace change predicted (1.72038e-06%) linmin: converged after 17 iterations. iteration 337: trace = 2.532227261657944 (1.72027e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.532227223570452 (1.50411e-06% change) linmin: converged after 4 iterations. iteration 339: trace = 2.532227213967092 (3.79246e-07% change) large trace change predicted (1.16087e-06%) linmin: converged after 5 iterations. iteration 340: trace = 2.53222718457211 (1.16084e-06% change) linmin: converged after 5 iterations. iteration 341: trace = 2.532227156275118 (1.11747e-06% change) linmin: converged after 9 iterations. iteration 342: trace = 2.532227148450816 (3.08989e-07% change) large trace change predicted (9.66064e-07%) linmin: converged after 5 iterations. iteration 343: trace = 2.532227123988557 (9.66037e-07% change) linmin: converged after 5 iterations. iteration 344: trace = 2.532227107010383 (6.70484e-07% change) linmin: converged after 4 iterations. iteration 345: trace = 2.532227095890339 (4.39141e-07% change) linmin: converged after 8 iterations. iteration 346: trace = 2.532227080349761 (6.13712e-07% change) linmin: converged after 4 iterations. iteration 347: trace = 2.532227076250968 (1.61865e-07% change) linmin: converged after 2 iterations. iteration 348: trace = 2.532227068112935 (3.21378e-07% change) large trace change predicted (8.70544e-07%) linmin: converged after 9 iterations. iteration 349: trace = 2.532227046068919 (8.70539e-07% change) resetting CG direction... linmin: converged after 6 iterations. iteration 350: trace = 2.532227041253952 (1.90148e-07% change) large trace change predicted (5.24462e-07%) linmin: converged after 3 iterations. iteration 351: trace = 2.532227027973468 (5.24459e-07% change) linmin: converged after 4 iterations. iteration 352: trace = 2.532227020012078 (3.14403e-07% change) linmin: converged after 3 iterations. iteration 353: trace = 2.532227015957442 (1.60121e-07% change) large trace change predicted (4.28601e-07%) linmin: converged after 7 iterations. iteration 354: trace = 2.532227005104187 (4.28605e-07% change) linmin: converged after 13 iterations. iteration 355: trace = 2.532226996652225 (3.33776e-07% change) linmin: converged after 8 iterations. iteration 356: trace = 2.532226987561438 (3.59004e-07% change) linmin: converged after 8 iterations. iteration 357: trace = 2.532226969413104 (7.16695e-07% change) linmin: converged after 4 iterations. iteration 358: trace = 2.532226965678333 (1.4749e-07% change) large trace change predicted (5.70213e-07%) linmin: converged after 11 iterations. iteration 359: trace = 2.532226951238592 (5.70239e-07% change) linmin: converged after 4 iterations. iteration 360: trace = 2.532226936960811 (5.63843e-07% change) linmin: converged after 21 iterations. iteration 361: trace = 2.53222693253943 (1.74604e-07% change) large trace change predicted (7.64604e-07%) linmin: converged after 5 iterations. iteration 362: trace = 2.532226913176651 (7.64654e-07% change) linmin: converged after 2 iterations. iteration 363: trace = 2.532226900874408 (4.85827e-07% change) linmin: converged after 7 iterations. iteration 364: trace = 2.532226889402457 (4.53038e-07% change) linmin: converged after 6 iterations. iteration 365: trace = 2.532226871634764 (7.01663e-07% change) linmin: converged after 15 iterations. iteration 366: trace = 2.532226865149388 (2.56114e-07% change) linmin: converged after 4 iterations. iteration 367: trace = 2.532226858083303 (2.79046e-07% change) linmin: converged after 3 iterations. iteration 368: trace = 2.532226849760441 (3.28678e-07% change) linmin: converged after 4 iterations. iteration 369: trace = 2.532226846290662 (1.37025e-07% change) linmin: converged after 10 iterations. iteration 370: trace = 2.532226840160222 (2.42097e-07% change) linmin: converged after 4 iterations. iteration 371: trace = 2.53222683497562 (2.04745e-07% change) linmin: converged after 4 iterations. iteration 372: trace = 2.532226831176658 (1.50025e-07% change) linmin: converged after 22 iterations. iteration 373: trace = 2.532226823812367 (2.90823e-07% change) linmin: converged after 4 iterations. iteration 374: trace = 2.532226820168667 (1.43893e-07% change) linmin: converged after 2 iterations. iteration 375: trace = 2.532226817017566 (1.2444e-07% change) large trace change predicted (4.75244e-07%) linmin: converged after 4 iterations. iteration 376: trace = 2.532226804984404 (4.75201e-07% change) linmin: converged after 9 iterations. iteration 377: trace = 2.532226793615652 (4.48963e-07% change) linmin: converged after 4 iterations. iteration 378: trace = 2.532226791481499 (8.42797e-08% change) large trace change predicted (3.01751e-07%) linmin: converged after 13 iterations. iteration 379: trace = 2.532226783840986 (3.01731e-07% change) linmin: converged after 5 iterations. iteration 380: trace = 2.53222677825189 (2.20719e-07% change) linmin: converged after 11 iterations. iteration 381: trace = 2.532226776198825 (8.10774e-08% change) large trace change predicted (3.09645e-07%) linmin: converged after 4 iterations. iteration 382: trace = 2.532226768358376 (3.09627e-07% change) linmin: converged after 4 iterations. iteration 383: trace = 2.532226764050359 (1.70128e-07% change) linmin: converged after 6 iterations. iteration 384: trace = 2.532226761490044 (1.01109e-07% change) large trace change predicted (2.35328e-07%) linmin: converged after 3 iterations. iteration 385: trace = 2.532226755531154 (2.35322e-07% change) linmin: converged after 4 iterations. iteration 386: trace = 2.532226754606565 (3.65129e-08% change) large trace change predicted (1.73932e-07%) linmin: converged after 13 iterations. iteration 387: trace = 2.532226750202272 (1.7393e-07% change) linmin: converged after 4 iterations. iteration 388: trace = 2.532226748583039 (6.3945e-08% change) linmin: converged after 6 iterations. iteration 389: trace = 2.532226746769836 (7.16051e-08% change) linmin: converged after 4 iterations. iteration 390: trace = 2.532226743674155 (1.22251e-07% change) linmin: converged after 7 iterations. iteration 391: trace = 2.532226742822863 (3.36183e-08% change) large trace change predicted (1.553e-07%) linmin: converged after 7 iterations. iteration 392: trace = 2.532226738890259 (1.55302e-07% change) linmin: converged after 12 iterations. iteration 393: trace = 2.532226733157526 (2.26391e-07% change) linmin: converged after 5 iterations. iteration 394: trace = 2.532226731881656 (5.03853e-08% change) large trace change predicted (2.38712e-07%) linmin: converged after 16 iterations. iteration 395: trace = 2.532226725836817 (2.38716e-07% change) linmin: converged after 10 iterations. iteration 396: trace = 2.532226721303406 (1.79029e-07% change) linmin: converged after 3 iterations. iteration 397: trace = 2.532226720021591 (5.06201e-08% change) large trace change predicted (1.64248e-07%) linmin: converged after 7 iterations. iteration 398: trace = 2.53222671586235 (1.64252e-07% change) linmin: converged after 18 iterations. iteration 399: trace = 2.532226712848004 (1.19039e-07% change) linmin: converged after 10 iterations. iteration 400: trace = 2.532226711845361 (3.95953e-08% change) large trace change predicted (8.97363e-08%) linmin: converged after 13 iterations. iteration 401: trace = 2.532226709573011 (8.97372e-08% change) linmin: converged after 8 iterations. iteration 402: trace = 2.532226708190714 (5.45882e-08% change) linmin: converged after 4 iterations. iteration 403: trace = 2.532226707175363 (4.00972e-08% change) linmin: converged after 6 iterations. iteration 404: trace = 2.532226705422322 (6.92292e-08% change) linmin: converged after 4 iterations. iteration 405: trace = 2.532226703386372 (8.04016e-08% change) linmin: converged after 15 iterations. iteration 406: trace = 2.532226702543767 (3.32753e-08% change) large trace change predicted (1.27052e-07%) linmin: converged after 7 iterations. iteration 407: trace = 2.532226699326492 (1.27053e-07% change) linmin: converged after 7 iterations. iteration 408: trace = 2.53222669796431 (5.37939e-08% change) linmin: converged after 7 iterations. iteration 409: trace = 2.53222669554264 (9.5634e-08% change) linmin: converged after 6 iterations. iteration 410: trace = 2.53222669284764 (1.06428e-07% change) linmin: converged after 11 iterations. iteration 411: trace = 2.532226691335092 (5.97319e-08% change) large trace change predicted (1.24133e-07%) linmin: converged after 4 iterations. iteration 412: trace = 2.532226688191721 (1.24135e-07% change) linmin: converged after 14 iterations. iteration 413: trace = 2.532226684404653 (1.49555e-07% change) linmin: converged after 4 iterations. iteration 414: trace = 2.532226683623242 (3.08587e-08% change) large trace change predicted (1.27284e-07%) linmin: converged after 5 iterations. iteration 415: trace = 2.532226680400108 (1.27285e-07% change) linmin: converged after 4 iterations. iteration 416: trace = 2.532226679110584 (5.09245e-08% change) linmin: converged after 8 iterations. iteration 417: trace = 2.532226677977577 (4.47435e-08% change) linmin: converged after 3 iterations. iteration 418: trace = 2.532226676546075 (5.65314e-08% change) linmin: converged after 4 iterations. iteration 419: trace = 2.53222667592058 (2.47014e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.532226675493463 (1.68673e-08% change) large trace change predicted (3.87553e-08%) linmin: converged after 6 iterations. iteration 421: trace = 2.532226674512091 (3.87553e-08% change) linmin: converged after 6 iterations. iteration 422: trace = 2.532226673922648 (2.32776e-08% change) linmin: converged after 4 iterations. iteration 423: trace = 2.532226672942695 (3.86992e-08% change) large trace change predicted (8.20289e-08%) linmin: converged after 4 iterations. iteration 424: trace = 2.53222667086553 (8.20292e-08% change) linmin: converged after 4 iterations. iteration 425: trace = 2.532226670389969 (1.87803e-08% change) large trace change predicted (9.7365e-08%) linmin: converged after 4 iterations. iteration 426: trace = 2.532226667924473 (9.73648e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.53222666650955 (5.58766e-08% change) linmin: converged after 6 iterations. iteration 428: trace = 2.532226665027508 (5.85272e-08% change) linmin: converged after 4 iterations. iteration 429: trace = 2.532226663124199 (7.51635e-08% change) linmin: converged after 7 iterations. iteration 430: trace = 2.532226662147229 (3.85814e-08% change) linmin: converged after 7 iterations. iteration 431: trace = 2.532226660826446 (5.2159e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.532226659094629 (6.83911e-08% change) linmin: converged after 5 iterations. iteration 433: trace = 2.532226658647822 (1.76448e-08% change) large trace change predicted (5.71739e-08%) linmin: converged after 4 iterations. iteration 434: trace = 2.532226657200071 (5.7173e-08% change) linmin: converged after 10 iterations. iteration 435: trace = 2.532226655897789 (5.14283e-08% change) linmin: converged after 4 iterations. iteration 436: trace = 2.532226655650127 (9.7804e-09% change) large trace change predicted (2.04904e-08%) linmin: converged after 16 iterations. iteration 437: trace = 2.53222665513126 (2.04906e-08% change) linmin: converged after 4 iterations. iteration 438: trace = 2.532226654220309 (3.59743e-08% change) linmin: converged after 4 iterations. iteration 439: trace = 2.532226654016821 (8.03593e-09% change) large trace change predicted (4.26703e-08%) linmin: converged after 24 iterations. iteration 440: trace = 2.532226652936318 (4.26701e-08% change) linmin: converged after 7 iterations. iteration 441: trace = 2.532226652307979 (2.48137e-08% change) linmin: converged after 22 iterations. iteration 442: trace = 2.532226651293117 (4.00779e-08% change) linmin: converged after 7 iterations. iteration 443: trace = 2.532226649812017 (5.849e-08% change) linmin: converged after 6 iterations. iteration 444: trace = 2.532226648554367 (4.96658e-08% change) linmin: converged after 12 iterations. iteration 445: trace = 2.532226647525179 (4.06436e-08% change) linmin: converged after 8 iterations. iteration 446: trace = 2.532226645471285 (8.11102e-08% change) linmin: converged after 3 iterations. iteration 447: trace = 2.532226644235352 (4.88082e-08% change) linmin: converged after 7 iterations. iteration 448: trace = 2.532226643803798 (1.70424e-08% change) large trace change predicted (4.14197e-08%) linmin: converged after 5 iterations. iteration 449: trace = 2.532226642754956 (4.14197e-08% change) linmin: converged after 15 iterations. iteration 450: trace = 2.532226642082326 (2.65628e-08% change) linmin: converged after 19 iterations. iteration 451: trace = 2.532226641716459 (1.44484e-08% change) large trace change predicted (3.51394e-08%) linmin: converged after 4 iterations. iteration 452: trace = 2.532226640826662 (3.51389e-08% change) linmin: converged after 4 iterations. iteration 453: trace = 2.532226640135402 (2.72985e-08% change) linmin: converged after 5 iterations. iteration 454: trace = 2.532226639517137 (2.44159e-08% change) linmin: converged after 4 iterations. iteration 455: trace = 2.532226638282867 (4.87425e-08% change) linmin: converged after 4 iterations. iteration 456: trace = 2.532226638026622 (1.01193e-08% change) large trace change predicted (3.28326e-08%) linmin: converged after 4 iterations. iteration 457: trace = 2.532226637195224 (3.28327e-08% change) linmin: converged after 4 iterations. iteration 458: trace = 2.532226636264558 (3.67529e-08% change) linmin: converged after 8 iterations. iteration 459: trace = 2.532226635688844 (2.27355e-08% change) large trace change predicted (6.28703e-08%) linmin: converged after 16 iterations. iteration 460: trace = 2.532226634096801 (6.28712e-08% change) linmin: converged after 6 iterations. iteration 461: trace = 2.532226633566544 (2.09404e-08% change) large trace change predicted (6.11319e-08%) linmin: converged after 9 iterations. iteration 462: trace = 2.532226632018534 (6.11324e-08% change) linmin: converged after 5 iterations. iteration 463: trace = 2.532226630398428 (6.39795e-08% change) linmin: converged after 6 iterations. iteration 464: trace = 2.532226629990468 (1.61107e-08% change) large trace change predicted (3.77254e-08%) linmin: converged after 12 iterations. iteration 465: trace = 2.53222662903518 (3.77252e-08% change) linmin: converged after 5 iterations. iteration 466: trace = 2.532226628138766 (3.54002e-08% change) linmin: converged after 4 iterations. iteration 467: trace = 2.532226627861705 (1.09414e-08% change) large trace change predicted (2.94572e-08%) linmin: converged after 4 iterations. iteration 468: trace = 2.532226627115773 (2.94576e-08% change) linmin: converged after 4 iterations. iteration 469: trace = 2.532226626456777 (2.60244e-08% change) linmin: converged after 4 iterations. iteration 470: trace = 2.532226626319011 (5.44048e-09% change) large trace change predicted (2.74546e-08%) linmin: converged after 4 iterations. iteration 471: trace = 2.532226625623806 (2.74543e-08% change) linmin: converged after 4 iterations. iteration 472: trace = 2.53222662505919 (2.22972e-08% change) linmin: converged after 4 iterations. iteration 473: trace = 2.532226624813997 (9.68289e-09% change) large trace change predicted (3.7178e-08%) linmin: converged after 4 iterations. iteration 474: trace = 2.532226623872571 (3.71778e-08% change) linmin: converged after 13 iterations. iteration 475: trace = 2.532226622403658 (5.80087e-08% change) linmin: converged after 24 iterations. iteration 476: trace = 2.532226622168948 (9.26892e-09% change) large trace change predicted (4.57674e-08%) linmin: converged after 16 iterations. iteration 477: trace = 2.53222662101005 (4.5766e-08% change) linmin: converged after 4 iterations. iteration 478: trace = 2.532226620368379 (2.53402e-08% change) linmin: converged after 2 iterations. iteration 479: trace = 2.532226620116673 (9.9401e-09% change) large trace change predicted (3.61064e-08%) linmin: converged after 4 iterations. iteration 480: trace = 2.532226619202394 (3.61057e-08% change) linmin: converged after 6 iterations. iteration 481: trace = 2.532226618399125 (3.17218e-08% change) linmin: converged after 4 iterations. iteration 482: trace = 2.532226618157492 (9.54233e-09% change) large trace change predicted (2.0967e-08%) linmin: converged after 4 iterations. iteration 483: trace = 2.532226617626567 (2.09667e-08% change) linmin: converged after 4 iterations. iteration 484: trace = 2.532226617416627 (8.29073e-09% change) linmin: converged after 18 iterations. iteration 485: trace = 2.532226617137782 (1.10118e-08% change) linmin: converged after 13 iterations. iteration 486: trace = 2.532226616844827 (1.15691e-08% change) linmin: converged after 7 iterations. iteration 487: trace = 2.532226616733817 (4.38387e-09% change) large trace change predicted (9.37229e-09%) linmin: converged after 18 iterations. iteration 488: trace = 2.532226616496495 (9.37207e-09% change) large trace change predicted (3.00344e-08%) linmin: converged after 8 iterations. iteration 489: trace = 2.532226615735953 (3.00345e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.532226615443588 (1.15458e-08% change) linmin: converged after 2 iterations. iteration 491: trace = 2.532226615044469 (1.57616e-08% change) linmin: converged after 6 iterations. iteration 492: trace = 2.53222661497231 (2.84965e-09% change) large trace change predicted (8.95187e-09%) linmin: converged after 6 iterations. iteration 493: trace = 2.53222661474563 (8.95181e-09% change) linmin: converged after 3 iterations. iteration 494: trace = 2.53222661453013 (8.5103e-09% change) linmin: converged after 14 iterations. iteration 495: trace = 2.532226614447989 (3.24381e-09% change) large trace change predicted (1.44164e-08%) linmin: converged after 4 iterations. iteration 496: trace = 2.532226614082933 (1.44164e-08% change) linmin: converged after 4 iterations. iteration 497: trace = 2.532226613817419 (1.04854e-08% change) linmin: converged after 4 iterations. iteration 498: trace = 2.532226613634143 (7.23776e-09% change) large trace change predicted (1.99518e-08%) linmin: converged after 4 iterations. iteration 499: trace = 2.532226613128916 (1.99519e-08% change) linmin: converged after 4 iterations. iteration 500: trace = 2.532226612863586 (1.04781e-08% change) linmin: converged after 6 iterations. iteration 501: trace = 2.532226612570639 (1.15688e-08% change) linmin: converged after 4 iterations. iteration 502: trace = 2.532226612226721 (1.35816e-08% change) linmin: converged after 8 iterations. iteration 503: trace = 2.532226612029891 (7.77302e-09% change) linmin: converged after 5 iterations. iteration 504: trace = 2.532226611670453 (1.41945e-08% change) linmin: converged after 6 iterations. iteration 505: trace = 2.532226611196819 (1.87043e-08% change) linmin: converged after 20 iterations. iteration 506: trace = 2.53222661112223 (2.94558e-09% change) large trace change predicted (1.06021e-08%) linmin: converged after 6 iterations. iteration 507: trace = 2.532226610853749 (1.06026e-08% change) linmin: converged after 4 iterations. iteration 508: trace = 2.53222661068053 (6.84059e-09% change) linmin: converged after 17 iterations. iteration 509: trace = 2.532226610616374 (2.53357e-09% change) large trace change predicted (8.07521e-09%) linmin: converged after 4 iterations. iteration 510: trace = 2.532226610411894 (8.07509e-09% change) linmin: converged after 4 iterations. iteration 511: trace = 2.53222661031714 (3.74196e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.532226610182449 (5.31905e-09% change) linmin: converged after 4 iterations. iteration 513: trace = 2.532226609970626 (8.36509e-09% change) linmin: converged after 4 iterations. iteration 514: trace = 2.532226609857379 (4.47222e-09% change) linmin: converged after 5 iterations. iteration 515: trace = 2.532226609760135 (3.84027e-09% change) large trace change predicted (9.47579e-09%) linmin: converged after 4 iterations. iteration 516: trace = 2.532226609520188 (9.47574e-09% change) linmin: converged after 9 iterations. iteration 517: trace = 2.532226609287503 (9.18895e-09% change) linmin: converged after 4 iterations. iteration 518: trace = 2.532226609214028 (2.90158e-09% change) large trace change predicted (1.03335e-08%) linmin: converged after 4 iterations. iteration 519: trace = 2.53222660895237 (1.03331e-08% change) linmin: converged after 4 iterations. iteration 520: trace = 2.532226608716047 (9.33258e-09% change) linmin: converged after 5 iterations. iteration 521: trace = 2.532226608640769 (2.9728e-09% change) linmin: converged after 4 iterations. iteration 522: trace = 2.532226608517133 (4.88251e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.532226608355188 (6.39536e-09% change) linmin: converged after 18 iterations. iteration 524: trace = 2.5322266083288 (1.0421e-09% change) large trace change predicted (6.24975e-09%) linmin: converged after 4 iterations. iteration 525: trace = 2.532226608170548 (6.24951e-09% change) linmin: converged after 25 iterations. iteration 526: trace = 2.532226608136921 (1.32797e-09% change) large trace change predicted (3.9053e-09%) linmin: converged after 5 iterations. iteration 527: trace = 2.532226608038034 (3.90513e-09% change) linmin: converged after 4 iterations. iteration 528: trace = 2.532226607956137 (3.23421e-09% change) linmin: converged after 4 iterations. iteration 529: trace = 2.532226607927542 (1.12922e-09% change) large trace change predicted (3.80954e-09%) linmin: converged after 24 iterations. iteration 530: trace = 2.532226607831084 (3.80921e-09% change) linmin: converged after 7 iterations. iteration 531: trace = 2.532226607755488 (2.98536e-09% change) linmin: converged after 5 iterations. iteration 532: trace = 2.532226607721565 (1.33965e-09% change) large trace change predicted (4.88725e-09%) linmin: converged after 3 iterations. iteration 533: trace = 2.532226607597808 (4.8873e-09% change) linmin: converged after 5 iterations. iteration 534: trace = 2.532226607522797 (2.96224e-09% change) linmin: converged after 26 iterations. iteration 535: trace = 2.53222660742734 (3.7697e-09% change) linmin: converged after 4 iterations. iteration 536: trace = 2.532226607285777 (5.59043e-09% change) linmin: converged after 4 iterations. iteration 537: trace = 2.532226607195929 (3.5482e-09% change) linmin: converged after 3 iterations. iteration 538: trace = 2.532226607145792 (1.97997e-09% change) linmin: converged after 25 iterations. iteration 539: trace = 2.532226607053331 (3.65136e-09% change) linmin: converged after 5 iterations. iteration 540: trace = 2.532226607017517 (1.41431e-09% change) linmin: converged after 4 iterations. iteration 541: trace = 2.532226606980256 (1.47148e-09% change) linmin: converged after 21 iterations. iteration 542: trace = 2.53222660692834 (2.0502e-09% change) linmin: converged after 7 iterations. iteration 543: trace = 2.532226606900785 (1.08818e-09% change) linmin: converged after 5 iterations. iteration 544: trace = 2.532226606886538 (5.6262e-10% change) large trace change predicted (2.71182e-09%) linmin: converged after 7 iterations. iteration 545: trace = 2.532226606817869 (2.71179e-09% change) linmin: converged after 3 iterations. iteration 546: trace = 2.532226606798261 (7.74368e-10% change) large trace change predicted (2.57727e-09%) linmin: converged after 4 iterations. iteration 547: trace = 2.532226606732987 (2.57771e-09% change) linmin: converged after 22 iterations. iteration 548: trace = 2.532226606654048 (3.11736e-09% change) linmin: converged after 4 iterations. iteration 549: trace = 2.53222660662761 (1.04409e-09% change) large trace change predicted (2.53059e-09%) linmin: converged after 6 iterations. iteration 550: trace = 2.532226606563538 (2.53024e-09% change) linmin: converged after 11 iterations. iteration 551: trace = 2.532226606482841 (3.18679e-09% change) linmin: converged after 4 iterations. iteration 552: trace = 2.532226606459311 (9.29224e-10% change) large trace change predicted (2.58732e-09%) linmin: converged after 5 iterations. iteration 553: trace = 2.532226606393785 (2.58769e-09% change) linmin: converged after 15 iterations. iteration 554: trace = 2.532226606306193 (3.45908e-09% change) linmin: converged after 10 iterations. iteration 555: trace = 2.532226606290174 (6.3263e-10% change) large trace change predicted (2.65653e-09%) linmin: converged after 18 iterations. iteration 556: trace = 2.532226606222913 (2.65618e-09% change) linmin: converged after 6 iterations. iteration 557: trace = 2.532226606201254 (8.55356e-10% change) linmin: converged after 4 iterations. iteration 558: trace = 2.532226606178723 (8.89765e-10% change) linmin: converged after 6 iterations. iteration 559: trace = 2.532226606152547 (1.0337e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.532226606138769 (5.44118e-10% change) linmin: converged after 6 iterations. iteration 561: trace = 2.532226606124821 (5.50818e-10% change) large trace change predicted (1.15268e-09%) linmin: converged after 12 iterations. iteration 562: trace = 2.532226606095637 (1.15249e-09% change) linmin: converged after 21 iterations. iteration 563: trace = 2.532226606077214 (7.27561e-10% change) large trace change predicted (1.59868e-09%) linmin: converged after 9 iterations. iteration 564: trace = 2.532226606036726 (1.59891e-09% change) linmin: converged after 4 iterations. iteration 565: trace = 2.532226605987478 (1.94484e-09% change) linmin: converged after 3 iterations. iteration 566: trace = 2.532226605965412 (8.71421e-10% change) large trace change predicted (2.07106e-09%) linmin: converged after 4 iterations. iteration 567: trace = 2.532226605912968 (2.07106e-09% change) linmin: converged after 2 iterations. iteration 568: trace = 2.532226605884515 (1.12363e-09% change) linmin: converged after 4 iterations. iteration 569: trace = 2.532226605847781 (1.45065e-09% change) linmin: converged after 3 iterations. iteration 570: trace = 2.532226605794655 (2.09799e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.532226605780342 (5.65251e-10% change) large trace change predicted (1.6543e-09%) linmin: converged after 4 iterations. iteration 572: trace = 2.532226605738452 (1.65428e-09% change) linmin: converged after 3 iterations. iteration 573: trace = 2.532226605697139 (1.63148e-09% change) linmin: converged after 6 iterations. iteration 574: trace = 2.532226605689739 (2.92227e-10% change) large trace change predicted (1.28387e-09%) linmin: converged after 18 iterations. iteration 575: trace = 2.532226605657222 (1.28415e-09% change) linmin: converged after 4 iterations. iteration 576: trace = 2.532226605642729 (5.72354e-10% change) linmin: converged after 6 iterations. iteration 577: trace = 2.532226605636149 (2.59836e-10% change) large trace change predicted (1.03721e-09%) linmin: converged after 18 iterations. iteration 578: trace = 2.532226605609885 (1.0372e-09% change) linmin: converged after 5 iterations. iteration 579: trace = 2.532226605590671 (7.58742e-10% change) linmin: converged after 3 iterations. iteration 580: trace = 2.532226605580481 (4.02433e-10% change) large trace change predicted (1.25496e-09%) linmin: converged after 6 iterations. iteration 581: trace = 2.532226605548697 (1.25516e-09% change) linmin: converged after 4 iterations. iteration 582: trace = 2.532226605521011 (1.09336e-09% change) linmin: converged after 6 iterations. iteration 583: trace = 2.532226605509007 (4.74056e-10% change) large trace change predicted (2.23151e-09%) linmin: converged after 3 iterations. iteration 584: trace = 2.5322266054525 (2.23151e-09% change) linmin: converged after 3 iterations. iteration 585: trace = 2.532226605418284 (1.35125e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.532226605390208 (1.10874e-09% change) linmin: converged after 4 iterations. iteration 587: trace = 2.532226605345729 (1.75652e-09% change) linmin: converged after 4 iterations. iteration 588: trace = 2.532226605334294 (4.51556e-10% change) large trace change predicted (9.47294e-10%) linmin: converged after 9 iterations. iteration 589: trace = 2.532226605310306 (9.47323e-10% change) linmin: converged after 4 iterations. iteration 590: trace = 2.532226605289418 (8.24876e-10% change) linmin: converged after 8 iterations. iteration 591: trace = 2.532226605262301 (1.07089e-09% change) linmin: converged after 3 iterations. iteration 592: trace = 2.532226605256451 (2.31021e-10% change) large trace change predicted (1.16166e-09%) linmin: converged after 2 iterations. iteration 593: trace = 2.532226605227016 (1.1624e-09% change) linmin: converged after 4 iterations. iteration 594: trace = 2.532226605203669 (9.21981e-10% change) linmin: converged after 4 iterations. iteration 595: trace = 2.5322266051893 (5.67461e-10% change) linmin: converged after 18 iterations. iteration 596: trace = 2.532226605167502 (8.60846e-10% change) linmin: converged after 4 iterations. iteration 597: trace = 2.532226605147977 (7.71036e-10% change) linmin: converged after 7 iterations. iteration 598: trace = 2.53222660512347 (9.67824e-10% change) linmin: converged after 25 iterations. iteration 599: trace = 2.532226605080746 (1.68718e-09% change) linmin: converged after 22 iterations. iteration 600: trace = 2.532226605050802 (1.18252e-09% change) linmin: converged after 2 iterations. iteration 601: trace = 2.532226605034923 (6.27106e-10% change) large trace change predicted (1.46982e-09%) linmin: converged after 5 iterations. iteration 602: trace = 2.532226604997704 (1.46978e-09% change) linmin: converged after 4 iterations. iteration 603: trace = 2.53222660498625 (4.52345e-10% change) large trace change predicted (1.13497e-09%) linmin: converged after 6 iterations. iteration 604: trace = 2.532226604957511 (1.13494e-09% change) linmin: converged after 10 iterations. iteration 605: trace = 2.532226604934842 (8.95202e-10% change) linmin: converged after 7 iterations. iteration 606: trace = 2.532226604927949 (2.72217e-10% change) large trace change predicted (1.02475e-09%) linmin: converged after 16 iterations. iteration 607: trace = 2.532226604902005 (1.02456e-09% change) linmin: converged after 6 iterations. iteration 608: trace = 2.532226604883729 (7.21756e-10% change) linmin: converged after 8 iterations. iteration 609: trace = 2.532226604880142 (1.4165e-10% change) large trace change predicted (5.91534e-10%) linmin: converged after 10 iterations. iteration 610: trace = 2.532226604865174 (5.91101e-10% change) linmin: converged after 4 iterations. iteration 611: trace = 2.532226604850425 (5.82455e-10% change) linmin: converged after 17 iterations. iteration 612: trace = 2.532226604833139 (6.82612e-10% change) linmin: converged after 6 iterations. iteration 613: trace = 2.532226604825081 (3.18218e-10% change) large trace change predicted (1.41162e-09%) linmin: converged after 4 iterations. iteration 614: trace = 2.532226604789335 (1.41165e-09% change) linmin: converged after 6 iterations. iteration 615: trace = 2.532226604780225 (3.59764e-10% change) large trace change predicted (1.05301e-09%) linmin: converged after 4 iterations. iteration 616: trace = 2.532226604753558 (1.05313e-09% change) linmin: converged after 5 iterations. iteration 617: trace = 2.532226604734905 (7.3661e-10% change) linmin: converged after 5 iterations. iteration 618: trace = 2.532226604720409 (5.72477e-10% change) linmin: converged after 14 iterations. iteration 619: trace = 2.532226604707265 (5.19057e-10% change) linmin: converged after 2 iterations. iteration 620: trace = 2.532226604685252 (8.69316e-10% change) linmin: converged after 4 iterations. iteration 621: trace = 2.532226604680823 (1.74901e-10% change) large trace change predicted (5.75452e-10%) linmin: converged after 16 iterations. iteration 622: trace = 2.53222660466625 (5.75475e-10% change) linmin: converged after 8 iterations. iteration 623: trace = 2.532226604657313 (3.5296e-10% change) linmin: converged after 2 iterations. iteration 624: trace = 2.53222660465038 (2.73778e-10% change) linmin: converged after 4 iterations. iteration 625: trace = 2.532226604642506 (3.1094e-10% change) linmin: converged after 16 iterations. iteration 626: trace = 2.532226604635102 (2.92403e-10% change) linmin: converged after 6 iterations. iteration 627: trace = 2.532226604633134 (7.77087e-11% change) Finished solving for bands 1 to 10 after 627 iterations. tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154 elapsed time for k point: 5.28453516960144 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.553206221680581 (2.55578% change) linmin: converged after 6 iterations. iteration 2: trace = 2.48891356078405 (2.55022% change) linmin: converged after 4 iterations. iteration 3: trace = 2.465199503924426 (0.957348% change) linmin: converged after 5 iterations. iteration 4: trace = 2.46084310415172 (0.176872% change) large trace change predicted (0.419623%) linmin: converged after 4 iterations. iteration 5: trace = 2.450658583331204 (0.414721% change) linmin: converged after 4 iterations. iteration 6: trace = 2.447937491967235 (0.111097% change) linmin: converged after 5 iterations. iteration 7: trace = 2.445239403359288 (0.11028% change) linmin: converged after 4 iterations. iteration 8: trace = 2.442317561097169 (0.119562% change) linmin: converged after 4 iterations. iteration 9: trace = 2.44140925349742 (0.0371973% change) linmin: converged after 3 iterations. iteration 10: trace = 2.439907648651203 (0.0615246% change) linmin: converged after 4 iterations. iteration 11: trace = 2.43940342973242 (0.0206676% change) linmin: converged after 3 iterations. iteration 12: trace = 2.438989981088599 (0.0169502% change) linmin: converged after 3 iterations. iteration 13: trace = 2.438435780755584 (0.0227251% change) linmin: converged after 4 iterations. iteration 14: trace = 2.438281780471905 (0.00631574% change) large trace change predicted (0.0151055%) linmin: converged after 3 iterations. iteration 15: trace = 2.437911268206205 (0.0151968% change) linmin: converged after 3 iterations. iteration 16: trace = 2.437756509718134 (0.0063482% change) linmin: converged after 3 iterations. iteration 17: trace = 2.437475062818379 (0.011546% change) linmin: converged after 4 iterations. iteration 18: trace = 2.43703304641871 (0.0181358% change) linmin: converged after 4 iterations. iteration 19: trace = 2.436850985210067 (0.00747089% change) linmin: converged after 4 iterations. iteration 20: trace = 2.436522616304453 (0.013476% change) linmin: converged after 3 iterations. iteration 21: trace = 2.436395611582169 (0.00521268% change) large trace change predicted (0.0178794%) linmin: converged after 4 iterations. iteration 22: trace = 2.435954737440773 (0.018097% change) linmin: converged after 4 iterations. iteration 23: trace = 2.435746548033289 (0.00854689% change) linmin: converged after 4 iterations. iteration 24: trace = 2.435488750587958 (0.0105845% change) linmin: converged after 4 iterations. iteration 25: trace = 2.435193460474172 (0.0121252% change) linmin: converged after 3 iterations. iteration 26: trace = 2.435111833144077 (0.00335204% change) large trace change predicted (0.0170021%) linmin: converged after 3 iterations. iteration 27: trace = 2.43469482985178 (0.0171261% change) linmin: converged after 3 iterations. iteration 28: trace = 2.434620996611131 (0.00303259% change) large trace change predicted (0.0100124%) linmin: converged after 4 iterations. iteration 29: trace = 2.434376912234995 (0.0100261% change) linmin: converged after 5 iterations. iteration 30: trace = 2.43419325187207 (0.00754474% change) linmin: converged after 3 iterations. iteration 31: trace = 2.434081322250106 (0.00459833% change) linmin: converged after 5 iterations. iteration 32: trace = 2.43391404623353 (0.00687248% change) linmin: converged after 3 iterations. iteration 33: trace = 2.433862509197497 (0.00211748% change) large trace change predicted (0.00703875%) linmin: converged after 3 iterations. iteration 34: trace = 2.433691154478418 (0.00704069% change) linmin: converged after 4 iterations. iteration 35: trace = 2.433624337505446 (0.00274554% change) large trace change predicted (0.00707874%) linmin: converged after 3 iterations. iteration 36: trace = 2.433451878551399 (0.00708676% change) linmin: converged after 3 iterations. iteration 37: trace = 2.433377332568779 (0.00306343% change) linmin: converged after 4 iterations. iteration 38: trace = 2.433271914661328 (0.00433226% change) linmin: converged after 3 iterations. iteration 39: trace = 2.433178259803009 (0.003849% change) linmin: converged after 3 iterations. iteration 40: trace = 2.433135884749246 (0.00174157% change) large trace change predicted (0.00592581%) linmin: converged after 3 iterations. iteration 41: trace = 2.432991524414242 (0.00593327% change) linmin: converged after 3 iterations. iteration 42: trace = 2.432956083904433 (0.00145667% change) large trace change predicted (0.00705928%) linmin: converged after 3 iterations. iteration 43: trace = 2.432784016593005 (0.00707261% change) linmin: converged after 4 iterations. iteration 44: trace = 2.432719864934984 (0.002637% change) large trace change predicted (0.00567874%) linmin: converged after 3 iterations. iteration 45: trace = 2.432580687348562 (0.00572123% change) linmin: converged after 3 iterations. iteration 46: trace = 2.432479379338495 (0.00416472% change) linmin: converged after 3 iterations. iteration 47: trace = 2.432285042794907 (0.00798956% change) linmin: converged after 3 iterations. iteration 48: trace = 2.432170808943507 (0.00469668% change) linmin: converged after 4 iterations. iteration 49: trace = 2.432052622647903 (0.00485941% change) linmin: converged after 4 iterations. iteration 50: trace = 2.431877546560799 (0.00719896% change) linmin: converged after 3 iterations. iteration 51: trace = 2.431795719559632 (0.00336482% change) linmin: converged after 3 iterations. iteration 52: trace = 2.431696393891712 (0.00408454% change) linmin: converged after 4 iterations. iteration 53: trace = 2.431636760277184 (0.00245238% change) large trace change predicted (0.00592315%) linmin: converged after 3 iterations. iteration 54: trace = 2.431492404116106 (0.00593676% change) linmin: converged after 4 iterations. iteration 55: trace = 2.431457162942928 (0.00144937% change) large trace change predicted (0.00664181%) linmin: converged after 3 iterations. iteration 56: trace = 2.431295745583637 (0.00663893% change) linmin: converged after 3 iterations. iteration 57: trace = 2.431257083117029 (0.00159021% change) large trace change predicted (0.00464796%) linmin: converged after 4 iterations. iteration 58: trace = 2.431144088626962 (0.00464768% change) linmin: converged after 4 iterations. iteration 59: trace = 2.431090062211807 (0.00222229% change) linmin: converged after 4 iterations. iteration 60: trace = 2.431016706095293 (0.00301746% change) linmin: converged after 3 iterations. iteration 61: trace = 2.430957069106225 (0.0024532% change) linmin: converged after 4 iterations. iteration 62: trace = 2.430908617688924 (0.00199312% change) linmin: converged after 4 iterations. iteration 63: trace = 2.430849646073965 (0.00242594% change) linmin: converged after 3 iterations. iteration 64: trace = 2.430813248378599 (0.00149734% change) linmin: converged after 5 iterations. iteration 65: trace = 2.43074333275598 (0.00287626% change) linmin: converged after 3 iterations. iteration 66: trace = 2.430720451057193 (0.00094135% change) large trace change predicted (0.00257253%) linmin: converged after 3 iterations. iteration 67: trace = 2.43065783473218 (0.00257607% change) linmin: converged after 4 iterations. iteration 68: trace = 2.430628268300632 (0.0012164% change) large trace change predicted (0.00251896%) linmin: converged after 3 iterations. iteration 69: trace = 2.430567036278524 (0.00251922% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.430539129163158 (0.00114818% change) linmin: converged after 3 iterations. iteration 71: trace = 2.430504616436809 (0.00141997% change) linmin: converged after 4 iterations. iteration 72: trace = 2.430479160966565 (0.00104734% change) linmin: converged after 4 iterations. iteration 73: trace = 2.430467719097353 (0.000470767% change) linmin: converged after 3 iterations. iteration 74: trace = 2.430449169402523 (0.000763218% change) linmin: converged after 3 iterations. iteration 75: trace = 2.430430819274576 (0.000755013% change) linmin: converged after 3 iterations. iteration 76: trace = 2.430421416326485 (0.000386885% change) large trace change predicted (0.000998674%) linmin: converged after 5 iterations. iteration 77: trace = 2.430397170000086 (0.000997623% change) linmin: converged after 3 iterations. iteration 78: trace = 2.430362071235476 (0.00144417% change) linmin: converged after 4 iterations. iteration 79: trace = 2.43034979166542 (0.000505258% change) large trace change predicted (0.00196789%) linmin: converged after 3 iterations. iteration 80: trace = 2.430301925051948 (0.00196956% change) linmin: converged after 17 iterations. iteration 81: trace = 2.430250561903287 (0.00211347% change) linmin: converged after 4 iterations. iteration 82: trace = 2.430233115417473 (0.000717891% change) large trace change predicted (0.00378132%) linmin: converged after 4 iterations. iteration 83: trace = 2.430141282638945 (0.00377884% change) linmin: converged after 3 iterations. iteration 84: trace = 2.430107729386463 (0.00138072% change) linmin: converged after 3 iterations. iteration 85: trace = 2.430052054670437 (0.00229107% change) linmin: converged after 5 iterations. iteration 86: trace = 2.430006091898554 (0.00189145% change) linmin: converged after 7 iterations. iteration 87: trace = 2.429964689274548 (0.00170382% change) linmin: converged after 3 iterations. iteration 88: trace = 2.429930838606015 (0.00139306% change) linmin: converged after 3 iterations. iteration 89: trace = 2.429891868095913 (0.00160378% change) linmin: converged after 3 iterations. iteration 90: trace = 2.429864566771172 (0.00112357% change) linmin: converged after 4 iterations. iteration 91: trace = 2.429844028648026 (0.000845241% change) linmin: converged after 17 iterations. iteration 92: trace = 2.429825124482 (0.000778002% change) linmin: converged after 5 iterations. iteration 93: trace = 2.429820307031026 (0.000198263% change) linmin: converged after 3 iterations. iteration 94: trace = 2.429811489210155 (0.000362901% change) linmin: converged after 5 iterations. iteration 95: trace = 2.429799351019589 (0.000499554% change) linmin: converged after 3 iterations. iteration 96: trace = 2.429796384209345 (0.000122101% change) large trace change predicted (0.000517057%) linmin: converged after 4 iterations. iteration 97: trace = 2.429783822312285 (0.000516995% change) linmin: converged after 4 iterations. iteration 98: trace = 2.429779176188033 (0.000191216% change) large trace change predicted (0.000404307%) linmin: converged after 3 iterations. iteration 99: trace = 2.429769358407512 (0.000404061% change) linmin: converged after 3 iterations. iteration 100: trace = 2.429751334627436 (0.000741793% change) linmin: converged after 4 iterations. iteration 101: trace = 2.429742352605952 (0.000369669% change) large trace change predicted (0.00141944%) linmin: converged after 4 iterations. iteration 102: trace = 2.429707992174702 (0.00141417% change) linmin: converged after 4 iterations. iteration 103: trace = 2.429664632613277 (0.00178457% change) linmin: converged after 4 iterations. iteration 104: trace = 2.429647045585335 (0.000723849% change) large trace change predicted (0.00236014%) linmin: converged after 4 iterations. iteration 105: trace = 2.429590050260671 (0.00234585% change) linmin: converged after 3 iterations. iteration 106: trace = 2.429561724742144 (0.00116586% change) linmin: converged after 4 iterations. iteration 107: trace = 2.42953515505053 (0.00109361% change) linmin: converged after 5 iterations. iteration 108: trace = 2.429519665032375 (0.000637573% change) linmin: converged after 5 iterations. iteration 109: trace = 2.429512022126598 (0.000314586% change) linmin: converged after 3 iterations. iteration 110: trace = 2.429498087555357 (0.000573556% change) linmin: converged after 3 iterations. iteration 111: trace = 2.429487519945834 (0.000434972% change) linmin: converged after 3 iterations. iteration 112: trace = 2.42948324395007 (0.000176004% change) large trace change predicted (0.000474577%) linmin: converged after 3 iterations. iteration 113: trace = 2.42947170709866 (0.00047487% change) linmin: converged after 3 iterations. iteration 114: trace = 2.429465139327126 (0.000270338% change) linmin: converged after 5 iterations. iteration 115: trace = 2.429459385570046 (0.000236833% change) large trace change predicted (0.000650862%) linmin: converged after 3 iterations. iteration 116: trace = 2.429443546676336 (0.000651953% change) linmin: converged after 13 iterations. iteration 117: trace = 2.429438048868982 (0.000226299% change) linmin: converged after 5 iterations. iteration 118: trace = 2.429427443295201 (0.000436545% change) linmin: converged after 3 iterations. iteration 119: trace = 2.429413271509384 (0.00058334% change) linmin: converged after 3 iterations. iteration 120: trace = 2.429408316184948 (0.000203972% change) large trace change predicted (0.000900917%) linmin: converged after 6 iterations. iteration 121: trace = 2.429386326019267 (0.00090517% change) linmin: converged after 4 iterations. iteration 122: trace = 2.429375631412208 (0.000440219% change) linmin: converged after 4 iterations. iteration 123: trace = 2.429364836826458 (0.000444337% change) large trace change predicted (0.00110621%) linmin: converged after 6 iterations. iteration 124: trace = 2.429337834084296 (0.00111152% change) linmin: converged after 3 iterations. iteration 125: trace = 2.429334077310085 (0.000154642% change) large trace change predicted (0.000524101%) linmin: converged after 4 iterations. iteration 126: trace = 2.429321327974368 (0.000524809% change) linmin: converged after 4 iterations. iteration 127: trace = 2.429312247681153 (0.00037378% change) linmin: converged after 4 iterations. iteration 128: trace = 2.429307013266377 (0.000215469% change) linmin: converged after 3 iterations. iteration 129: trace = 2.429299574266179 (0.000306219% change) linmin: converged after 4 iterations. iteration 130: trace = 2.429296422141316 (0.000129755% change) linmin: converged after 4 iterations. iteration 131: trace = 2.42929430636169 (8.70944e-05% change) linmin: converged after 4 iterations. iteration 132: trace = 2.429292120608778 (8.99748e-05% change) linmin: converged after 3 iterations. iteration 133: trace = 2.429291259743365 (3.54369e-05% change) large trace change predicted (0.000155579%) linmin: converged after 3 iterations. iteration 134: trace = 2.42928747856844 (0.000155649% change) linmin: converged after 4 iterations. iteration 135: trace = 2.42928566079622 (7.48274e-05% change) linmin: converged after 3 iterations. iteration 136: trace = 2.429283972697248 (6.94895e-05% change) linmin: converged after 9 iterations. iteration 137: trace = 2.429281362924337 (0.00010743% change) linmin: converged after 3 iterations. iteration 138: trace = 2.429278118852213 (0.00013354% change) linmin: converged after 3 iterations. iteration 139: trace = 2.429275614525207 (0.000103089% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.42927409598177 (6.25102e-05% change) linmin: converged after 5 iterations. iteration 141: trace = 2.42927289908012 (4.92699e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.429271258249443 (6.75441e-05% change) linmin: converged after 3 iterations. iteration 143: trace = 2.429270235886694 (4.20852e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.429268647958751 (6.53665e-05% change) linmin: converged after 7 iterations. iteration 145: trace = 2.42926704584085 (6.59506e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.429266479973327 (2.32938e-05% change) large trace change predicted (8.08986e-05%) linmin: converged after 3 iterations. iteration 147: trace = 2.429264515434403 (8.08697e-05% change) linmin: converged after 4 iterations. iteration 148: trace = 2.42926334816456 (4.80504e-05% change) linmin: converged after 4 iterations. iteration 149: trace = 2.429261899908278 (5.96171e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.429259840646419 (8.47691e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.429256957670471 (0.000118677% change) linmin: converged after 3 iterations. iteration 152: trace = 2.429255776060519 (4.86408e-05% change) large trace change predicted (0.000132907%) linmin: converged after 3 iterations. iteration 153: trace = 2.429252548958497 (0.000132843% change) linmin: converged after 4 iterations. iteration 154: trace = 2.429251754706228 (3.26953e-05% change) large trace change predicted (0.000118786%) linmin: converged after 17 iterations. iteration 155: trace = 2.429248871948371 (0.000118669% change) linmin: converged after 3 iterations. iteration 156: trace = 2.429246735918261 (8.79297e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.429245833309891 (3.71559e-05% change) large trace change predicted (0.000116423%) linmin: converged after 8 iterations. iteration 158: trace = 2.429243005345469 (0.000116413% change) linmin: converged after 3 iterations. iteration 159: trace = 2.429241101779866 (7.83605e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 2.429240335506347 (3.15437e-05% change) large trace change predicted (9.3507e-05%) linmin: converged after 3 iterations. iteration 161: trace = 2.429238064622663 (9.34813e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.429235882997586 (8.9807e-05% change) linmin: converged after 4 iterations. iteration 163: trace = 2.429234980401422 (3.71556e-05% change) linmin: converged after 4 iterations. iteration 164: trace = 2.42923423123724 (3.08395e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.429233750911721 (1.97727e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.429233088670296 (2.72613e-05% change) linmin: converged after 4 iterations. iteration 167: trace = 2.429232294868338 (3.26771e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.429232092479231 (8.3314e-06% change) large trace change predicted (2.08687e-05%) linmin: converged after 3 iterations. iteration 169: trace = 2.429231585521984 (2.0869e-05% change) large trace change predicted (4.65916e-05%) linmin: converged after 5 iterations. iteration 170: trace = 2.429230452851343 (4.66267e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 2.42923003641728 (1.71426e-05% change) large trace change predicted (4.9594e-05%) linmin: converged after 3 iterations. iteration 172: trace = 2.429228831028408 (4.96202e-05% change) large trace change predicted (0.000101481%) linmin: converged after 3 iterations. iteration 173: trace = 2.429226362009262 (0.000101638% change) linmin: converged after 8 iterations. iteration 174: trace = 2.429225417340648 (3.88876e-05% change) large trace change predicted (0.00015174%) linmin: converged after 5 iterations. iteration 175: trace = 2.429221720389118 (0.000152187% change) linmin: converged after 8 iterations. iteration 176: trace = 2.42922057521934 (4.71414e-05% change) large trace change predicted (0.000101914%) linmin: converged after 3 iterations. iteration 177: trace = 2.429218093805543 (0.000102149% change) linmin: converged after 3 iterations. iteration 178: trace = 2.429216776163412 (5.42414e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.429216260438805 (2.12301e-05% change) linmin: converged after 3 iterations. iteration 180: trace = 2.429215479645262 (3.21418e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.429214791117453 (2.83436e-05% change) linmin: converged after 3 iterations. iteration 182: trace = 2.42921465892592 (5.44174e-06% change) large trace change predicted (1.81693e-05%) linmin: converged after 3 iterations. iteration 183: trace = 2.429214217504786 (1.81714e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.429213878554908 (1.39531e-05% change) linmin: converged after 4 iterations. iteration 185: trace = 2.429213475528831 (1.65908e-05% change) large trace change predicted (4.60529e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.429212356766668 (4.60545e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.42921172171569 (2.61423e-05% change) linmin: converged after 3 iterations. iteration 188: trace = 2.429211037753644 (2.81557e-05% change) large trace change predicted (6.15626e-05%) linmin: converged after 3 iterations. iteration 189: trace = 2.429209541977092 (6.15746e-05% change) linmin: converged after 4 iterations. iteration 190: trace = 2.429207963346268 (6.49854e-05% change) linmin: converged after 5 iterations. iteration 191: trace = 2.4292070388716 (3.80566e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.429205426903361 (6.63578e-05% change) linmin: converged after 7 iterations. iteration 193: trace = 2.429204296054082 (4.65522e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.429202808309655 (6.12441e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.429201125104358 (6.92905e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.429200275662924 (3.49679e-05% change) large trace change predicted (8.11891e-05%) linmin: converged after 3 iterations. iteration 197: trace = 2.42919830378711 (8.11739e-05% change) linmin: converged after 4 iterations. iteration 198: trace = 2.429196398587989 (7.84292e-05% change) linmin: converged after 3 iterations. iteration 199: trace = 2.429196159061805 (9.86031e-06% change) large trace change predicted (4.10336e-05%) linmin: converged after 4 iterations. iteration 200: trace = 2.429195162416827 (4.10278e-05% change) linmin: converged after 5 iterations. iteration 201: trace = 2.429194809229874 (1.45393e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.429194551279223 (1.06188e-05% change) large trace change predicted (2.65693e-05%) linmin: converged after 3 iterations. iteration 203: trace = 2.429193905991623 (2.65639e-05% change) linmin: converged after 4 iterations. iteration 204: trace = 2.429193570087664 (1.38278e-05% change) linmin: converged after 4 iterations. iteration 205: trace = 2.429193222930634 (1.4291e-05% change) large trace change predicted (3.24251e-05%) linmin: converged after 3 iterations. iteration 206: trace = 2.429192435152539 (3.24296e-05% change) linmin: converged after 3 iterations. iteration 207: trace = 2.4291921630543 (1.12012e-05% change) large trace change predicted (2.38952e-05%) linmin: converged after 3 iterations. iteration 208: trace = 2.42919158249233 (2.38994e-05% change) large trace change predicted (0.000111098%) linmin: converged after 5 iterations. iteration 209: trace = 2.429188884189141 (0.000111078% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.429188417663049 (1.9205e-05% change) large trace change predicted (3.87924e-05%) linmin: converged after 3 iterations. iteration 211: trace = 2.429187475341786 (3.87916e-05% change) linmin: converged after 2 iterations. iteration 212: trace = 2.429186915967879 (2.30272e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.429186735590805 (7.42541e-06% change) large trace change predicted (2.20942e-05%) linmin: converged after 3 iterations. iteration 214: trace = 2.429186198860606 (2.20951e-05% change) linmin: converged after 17 iterations. iteration 215: trace = 2.429185878642841 (1.31821e-05% change) linmin: converged after 5 iterations. iteration 216: trace = 2.429185770261154 (4.46165e-06% change) large trace change predicted (2.78323e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.429185094171956 (2.78319e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.429184909013692 (7.62224e-06% change) large trace change predicted (1.53145e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.429184537014271 (1.53138e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.42918417152118 (1.50459e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.42918393213037 (9.85478e-06% change) linmin: converged after 4 iterations. iteration 222: trace = 2.429183590611124 (1.4059e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.429183130075418 (1.89585e-05% change) linmin: converged after 4 iterations. iteration 224: trace = 2.429182974161737 (6.41836e-06% change) large trace change predicted (2.32489e-05%) linmin: converged after 4 iterations. iteration 225: trace = 2.42918240945807 (2.32467e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.429181944168396 (1.91542e-05% change) linmin: converged after 7 iterations. iteration 227: trace = 2.429181768390337 (7.2361e-06% change) large trace change predicted (3.06009e-05%) linmin: converged after 3 iterations. iteration 228: trace = 2.429181025453373 (3.05838e-05% change) linmin: converged after 5 iterations. iteration 229: trace = 2.429180461966678 (2.31966e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.429180207737434 (1.04656e-05% change) large trace change predicted (4.05241e-05%) linmin: converged after 9 iterations. iteration 231: trace = 2.429179223611912 (4.05127e-05% change) linmin: converged after 5 iterations. iteration 232: trace = 2.429179025585875 (8.15197e-06% change) large trace change predicted (2.09963e-05%) linmin: converged after 5 iterations. iteration 233: trace = 2.429178515612528 (2.09937e-05% change) linmin: converged after 10 iterations. iteration 234: trace = 2.429178320911897 (8.01508e-06% change) linmin: converged after 5 iterations. iteration 235: trace = 2.429178248027359 (3.00038e-06% change) large trace change predicted (9.55952e-06%) linmin: converged after 4 iterations. iteration 236: trace = 2.42917801581976 (9.5591e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.429177861901049 (6.33625e-06% change) linmin: converged after 18 iterations. iteration 238: trace = 2.429177747213046 (4.72127e-06% change) linmin: converged after 5 iterations. iteration 239: trace = 2.429177698299305 (2.01359e-06% change) large trace change predicted (1.11405e-05%) linmin: converged after 8 iterations. iteration 240: trace = 2.429177427738141 (1.1138e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.429177305472837 (5.0332e-06% change) linmin: converged after 6 iterations. iteration 242: trace = 2.429177204659053 (4.15012e-06% change) large trace change predicted (1.7675e-05%) linmin: converged after 15 iterations. iteration 243: trace = 2.429176775531757 (1.76655e-05% change) linmin: converged after 2 iterations. iteration 244: trace = 2.429176676169531 (4.09037e-06% change) large trace change predicted (1.92215e-05%) linmin: converged after 8 iterations. iteration 245: trace = 2.429176209583188 (1.92076e-05% change) linmin: converged after 5 iterations. iteration 246: trace = 2.429175810985335 (1.64088e-05% change) linmin: converged after 4 iterations. iteration 247: trace = 2.429175606454512 (8.41976e-06% change) linmin: converged after 3 iterations. iteration 248: trace = 2.429175235324235 (1.5278e-05% change) linmin: converged after 3 iterations. iteration 249: trace = 2.429174806497148 (1.76532e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.429174680882425 (5.17109e-06% change) large trace change predicted (1.79797e-05%) linmin: converged after 5 iterations. iteration 251: trace = 2.429174244340877 (1.79708e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.429174062259734 (7.4956e-06% change) linmin: converged after 3 iterations. iteration 253: trace = 2.429173793528956 (1.10626e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.42917345168899 (1.40723e-05% change) linmin: converged after 5 iterations. iteration 255: trace = 2.429173367085217 (3.48282e-06% change) linmin: converged after 3 iterations. iteration 256: trace = 2.429173285275176 (3.36781e-06% change) linmin: converged after 16 iterations. iteration 257: trace = 2.429173157686595 (5.25235e-06% change) linmin: converged after 19 iterations. iteration 258: trace = 2.429173124665559 (1.35935e-06% change) large trace change predicted (5.8885e-06%) linmin: converged after 3 iterations. iteration 259: trace = 2.429172981626833 (5.88837e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.429172805000309 (7.27106e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 2.429172679875048 (5.15094e-06% change) large trace change predicted (1.04768e-05%) linmin: converged after 5 iterations. iteration 262: trace = 2.429172425283692 (1.04806e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.429172162836944 (1.0804e-05% change) linmin: converged after 4 iterations. iteration 264: trace = 2.429171853052371 (1.27527e-05% change) linmin: converged after 5 iterations. iteration 265: trace = 2.429171375270278 (1.96685e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.429170756902879 (2.54559e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.429170563713625 (7.95289e-06% change) large trace change predicted (1.94942e-05%) linmin: converged after 3 iterations. iteration 268: trace = 2.429170089903602 (1.9505e-05% change) linmin: converged after 7 iterations. iteration 269: trace = 2.429169997198031 (3.81635e-06% change) large trace change predicted (1.09782e-05%) linmin: converged after 3 iterations. iteration 270: trace = 2.429169730438092 (1.09815e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.429169585969877 (5.94723e-06% change) linmin: converged after 4 iterations. iteration 272: trace = 2.429169513444048 (2.98562e-06% change) large trace change predicted (9.14273e-06%) linmin: converged after 3 iterations. iteration 273: trace = 2.429169291329733 (9.14363e-06% change) linmin: converged after 3 iterations. iteration 274: trace = 2.429169104533092 (7.68973e-06% change) linmin: converged after 9 iterations. iteration 275: trace = 2.429169019206554 (3.51258e-06% change) large trace change predicted (7.07632e-06%) linmin: converged after 3 iterations. iteration 276: trace = 2.429168847307157 (7.07647e-06% change) linmin: converged after 4 iterations. iteration 277: trace = 2.429168747622026 (4.10367e-06% change) linmin: converged after 3 iterations. iteration 278: trace = 2.429168631884506 (4.76449e-06% change) linmin: converged after 9 iterations. iteration 279: trace = 2.429168532093602 (4.10803e-06% change) resetting CG direction... linmin: converged after 12 iterations. iteration 280: trace = 2.4291684964183 (1.46862e-06% change) linmin: converged after 3 iterations. iteration 281: trace = 2.429168440493254 (2.30223e-06% change) large trace change predicted (4.78184e-06%) linmin: converged after 12 iterations. iteration 282: trace = 2.429168324337096 (4.78173e-06% change) linmin: converged after 3 iterations. iteration 283: trace = 2.429168281452561 (1.7654e-06% change) large trace change predicted (4.77569e-06%) linmin: converged after 3 iterations. iteration 284: trace = 2.429168165440978 (4.77577e-06% change) linmin: converged after 4 iterations. iteration 285: trace = 2.429168012705448 (6.28757e-06% change) linmin: converged after 3 iterations. iteration 286: trace = 2.42916796048866 (2.14958e-06% change) large trace change predicted (8.34541e-06%) linmin: converged after 8 iterations. iteration 287: trace = 2.429167757816693 (8.34327e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.429167658486002 (4.08908e-06% change) linmin: converged after 3 iterations. iteration 289: trace = 2.429167571186357 (3.59381e-06% change) large trace change predicted (7.19173e-06%) linmin: converged after 3 iterations. iteration 290: trace = 2.429167396516001 (7.19054e-06% change) linmin: converged after 21 iterations. iteration 291: trace = 2.429167288799497 (4.4343e-06% change) large trace change predicted (9.41372e-06%) linmin: converged after 3 iterations. iteration 292: trace = 2.42916706019453 (9.41084e-06% change) linmin: converged after 5 iterations. iteration 293: trace = 2.429166790637383 (1.10967e-05% change) linmin: converged after 2 iterations. iteration 294: trace = 2.429166700646225 (3.70461e-06% change) large trace change predicted (9.97237e-06%) linmin: converged after 5 iterations. iteration 295: trace = 2.429166458463594 (9.96978e-06% change) linmin: converged after 5 iterations. iteration 296: trace = 2.429166273287356 (7.62304e-06% change) linmin: converged after 3 iterations. iteration 297: trace = 2.429166214243364 (2.43063e-06% change) large trace change predicted (5.55686e-06%) linmin: converged after 3 iterations. iteration 298: trace = 2.429166079247588 (5.55729e-06% change) linmin: converged after 5 iterations. iteration 299: trace = 2.42916595125798 (5.26887e-06% change) linmin: converged after 5 iterations. iteration 300: trace = 2.42916592282076 (1.17066e-06% change) large trace change predicted (4.49744e-06%) linmin: converged after 3 iterations. iteration 301: trace = 2.429165813577227 (4.49716e-06% change) linmin: converged after 3 iterations. iteration 302: trace = 2.429165796577458 (6.99819e-07% change) large trace change predicted (2.49075e-06%) linmin: converged after 28 iterations. iteration 303: trace = 2.429165736079905 (2.49047e-06% change) linmin: converged after 10 iterations. iteration 304: trace = 2.429165697146961 (1.60273e-06% change) linmin: converged after 6 iterations. iteration 305: trace = 2.429165679806006 (7.13865e-07% change) large trace change predicted (3.42752e-06%) linmin: converged after 4 iterations. iteration 306: trace = 2.429165596541317 (3.42771e-06% change) linmin: converged after 3 iterations. iteration 307: trace = 2.42916551057928 (3.53875e-06% change) linmin: converged after 13 iterations. iteration 308: trace = 2.429165452112139 (2.40688e-06% change) linmin: converged after 5 iterations. iteration 309: trace = 2.429165391596641 (2.49121e-06% change) large trace change predicted (5.07692e-06%) linmin: converged after 6 iterations. iteration 310: trace = 2.429165268222554 (5.07887e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.429165206363174 (2.54653e-06% change) large trace change predicted (5.43046e-06%) linmin: converged after 3 iterations. iteration 312: trace = 2.429165074413008 (5.43191e-06% change) linmin: converged after 4 iterations. iteration 313: trace = 2.429164892245254 (7.49919e-06% change) linmin: converged after 5 iterations. iteration 314: trace = 2.429164849258548 (1.76961e-06% change) large trace change predicted (6.15247e-06%) linmin: converged after 5 iterations. iteration 315: trace = 2.429164699752117 (6.15464e-06% change) linmin: converged after 7 iterations. iteration 316: trace = 2.429164638771448 (2.51036e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.429164550226917 (3.64506e-06% change) linmin: converged after 6 iterations. iteration 318: trace = 2.429164479965706 (2.8924e-06% change) linmin: converged after 7 iterations. iteration 319: trace = 2.429164428042301 (2.1375e-06% change) linmin: converged after 6 iterations. iteration 320: trace = 2.42916433563347 (3.80414e-06% change) linmin: converged after 6 iterations. iteration 321: trace = 2.429164273072414 (2.57541e-06% change) linmin: converged after 5 iterations. iteration 322: trace = 2.429164251889688 (8.72017e-07% change) large trace change predicted (2.15234e-06%) linmin: converged after 31 iterations. iteration 323: trace = 2.429164199604794 (2.15238e-06% change) linmin: converged after 4 iterations. iteration 324: trace = 2.429164141863048 (2.37702e-06% change) linmin: converged after 3 iterations. iteration 325: trace = 2.429164127630346 (5.85909e-07% change) linmin: converged after 3 iterations. iteration 326: trace = 2.429164104061229 (9.70256e-07% change) large trace change predicted (2.21783e-06%) linmin: converged after 11 iterations. iteration 327: trace = 2.429164050187693 (2.21778e-06% change) linmin: converged after 5 iterations. iteration 328: trace = 2.429164034353503 (6.51837e-07% change) large trace change predicted (3.00202e-06%) linmin: converged after 15 iterations. iteration 329: trace = 2.429163961434901 (3.0018e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.429163889770653 (2.95016e-06% change) linmin: converged after 12 iterations. iteration 331: trace = 2.42916383487541 (2.25984e-06% change) large trace change predicted (5.68134e-06%) linmin: converged after 3 iterations. iteration 332: trace = 2.429163696882009 (5.6807e-06% change) linmin: converged after 4 iterations. iteration 333: trace = 2.429163570432511 (5.20547e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.429163481349127 (3.66725e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.429163344316766 (5.64113e-06% change) linmin: converged after 4 iterations. iteration 336: trace = 2.429163265834819 (3.23082e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.42916317946051 (3.55572e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.429163085013065 (3.88807e-06% change) linmin: converged after 39 iterations. iteration 339: trace = 2.429163066798336 (7.49836e-07% change) large trace change predicted (2.4415e-06%) linmin: converged after 15 iterations. iteration 340: trace = 2.429163007491066 (2.44147e-06% change) linmin: converged after 12 iterations. iteration 341: trace = 2.429162963036354 (1.83004e-06% change) linmin: converged after 18 iterations. iteration 342: trace = 2.429162948635061 (5.9285e-07% change) large trace change predicted (3.10214e-06%) linmin: converged after 3 iterations. iteration 343: trace = 2.4291628732808 (3.10207e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.429162825499415 (1.96699e-06% change) linmin: converged after 3 iterations. iteration 345: trace = 2.429162809116475 (6.74427e-07% change) large trace change predicted (2.00799e-06%) linmin: converged after 2 iterations. iteration 346: trace = 2.429162760339046 (2.00799e-06% change) linmin: converged after 4 iterations. iteration 347: trace = 2.429162724432277 (1.47815e-06% change) linmin: converged after 4 iterations. iteration 348: trace = 2.429162698551296 (1.06543e-06% change) large trace change predicted (2.23223e-06%) linmin: converged after 5 iterations. iteration 349: trace = 2.4291626443277 (2.23219e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.429162606880206 (1.54158e-06% change) linmin: converged after 3 iterations. iteration 351: trace = 2.429162592627571 (5.8673e-07% change) large trace change predicted (1.69493e-06%) linmin: converged after 2 iterations. iteration 352: trace = 2.429162551455 (1.69493e-06% change) linmin: converged after 12 iterations. iteration 353: trace = 2.42916252138295 (1.23796e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.429162501479733 (8.19345e-07% change) large trace change predicted (1.82735e-06%) linmin: converged after 6 iterations. iteration 355: trace = 2.429162457090289 (1.82736e-06% change) linmin: converged after 6 iterations. iteration 356: trace = 2.429162440909697 (6.66098e-07% change) large trace change predicted (2.34219e-06%) linmin: converged after 2 iterations. iteration 357: trace = 2.429162384014163 (2.34219e-06% change) linmin: converged after 5 iterations. iteration 358: trace = 2.429162349681781 (1.41334e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.429162330473176 (7.9075e-07% change) linmin: converged after 8 iterations. iteration 360: trace = 2.429162296920965 (1.38123e-06% change) linmin: converged after 2 iterations. iteration 361: trace = 2.429162235219772 (2.54002e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.429162220071998 (6.2358e-07% change) large trace change predicted (2.67787e-06%) linmin: converged after 5 iterations. iteration 363: trace = 2.429162155020347 (2.67795e-06% change) linmin: converged after 2 iterations. iteration 364: trace = 2.429162083523964 (2.94325e-06% change) linmin: converged after 7 iterations. iteration 365: trace = 2.429162046332947 (1.53102e-06% change) large trace change predicted (3.42156e-06%) linmin: converged after 2 iterations. iteration 366: trace = 2.429161963216603 (3.42161e-06% change) linmin: converged after 3 iterations. iteration 367: trace = 2.429161898126555 (2.67953e-06% change) linmin: converged after 7 iterations. iteration 368: trace = 2.429161872295726 (1.06336e-06% change) large trace change predicted (2.28311e-06%) linmin: converged after 4 iterations. iteration 369: trace = 2.429161816835373 (2.28311e-06% change) linmin: converged after 17 iterations. iteration 370: trace = 2.42916179829711 (7.63155e-07% change) linmin: converged after 3 iterations. iteration 371: trace = 2.429161774001537 (1.00016e-06% change) linmin: converged after 4 iterations. iteration 372: trace = 2.429161756942047 (7.02279e-07% change) linmin: converged after 3 iterations. iteration 373: trace = 2.429161747951866 (3.70094e-07% change) linmin: converged after 3 iterations. iteration 374: trace = 2.429161736740186 (4.61545e-07% change) large trace change predicted (9.93069e-07%) linmin: converged after 4 iterations. iteration 375: trace = 2.429161712617764 (9.93035e-07% change) linmin: converged after 3 iterations. iteration 376: trace = 2.429161706277334 (2.61013e-07% change) large trace change predicted (9.6954e-07%) linmin: converged after 3 iterations. iteration 377: trace = 2.429161682726784 (9.69493e-07% change) linmin: converged after 15 iterations. iteration 378: trace = 2.42916165696918 (1.06035e-06% change) linmin: converged after 4 iterations. iteration 379: trace = 2.429161631436572 (1.05109e-06% change) linmin: converged after 5 iterations. iteration 380: trace = 2.429161615532259 (6.54724e-07% change) large trace change predicted (1.42807e-06%) linmin: converged after 6 iterations. iteration 381: trace = 2.429161580845463 (1.42793e-06% change) linmin: converged after 25 iterations. iteration 382: trace = 2.429161547566768 (1.36997e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.429161526503495 (8.67101e-07% change) large trace change predicted (1.92608e-06%) linmin: converged after 9 iterations. iteration 384: trace = 2.429161479721524 (1.92585e-06% change) linmin: converged after 6 iterations. iteration 385: trace = 2.429161467676568 (4.95848e-07% change) large trace change predicted (2.38017e-06%) linmin: converged after 9 iterations. iteration 386: trace = 2.429161409865471 (2.37988e-06% change) linmin: converged after 5 iterations. iteration 387: trace = 2.429161370736981 (1.61078e-06% change) linmin: converged after 4 iterations. iteration 388: trace = 2.429161353649504 (7.03431e-07% change) large trace change predicted (1.69145e-06%) linmin: converged after 5 iterations. iteration 389: trace = 2.429161312564659 (1.69132e-06% change) linmin: converged after 5 iterations. iteration 390: trace = 2.429161289374483 (9.54658e-07% change) linmin: converged after 10 iterations. iteration 391: trace = 2.429161275905912 (5.54454e-07% change) linmin: converged after 2 iterations. iteration 392: trace = 2.429161254799956 (8.68858e-07% change) linmin: converged after 4 iterations. iteration 393: trace = 2.429161245438828 (3.85365e-07% change) linmin: converged after 3 iterations. iteration 394: trace = 2.429161229402593 (6.60155e-07% change) linmin: converged after 23 iterations. iteration 395: trace = 2.429161219232758 (4.18656e-07% change) linmin: converged after 3 iterations. iteration 396: trace = 2.429161208096996 (4.5842e-07% change) linmin: converged after 21 iterations. iteration 397: trace = 2.429161201432734 (2.74344e-07% change) large trace change predicted (9.31855e-07%) linmin: converged after 4 iterations. iteration 398: trace = 2.429161178796045 (9.31873e-07% change) linmin: converged after 18 iterations. iteration 399: trace = 2.429161174266039 (1.86484e-07% change) large trace change predicted (1.12087e-06%) linmin: converged after 29 iterations. iteration 400: trace = 2.42916114703788 (1.12089e-06% change) linmin: converged after 7 iterations. iteration 401: trace = 2.429161116753245 (1.24671e-06% change) linmin: converged after 28 iterations. iteration 402: trace = 2.429161103903051 (5.28997e-07% change) large trace change predicted (1.36412e-06%) linmin: converged after 3 iterations. iteration 403: trace = 2.429161070766495 (1.36412e-06% change) linmin: converged after 6 iterations. iteration 404: trace = 2.429161031675101 (1.60925e-06% change) linmin: converged after 5 iterations. iteration 405: trace = 2.429161018395096 (5.46691e-07% change) large trace change predicted (2.19263e-06%) linmin: converged after 4 iterations. iteration 406: trace = 2.429160965117012 (2.19327e-06% change) linmin: converged after 10 iterations. iteration 407: trace = 2.42916094607832 (7.83756e-07% change) linmin: converged after 14 iterations. iteration 408: trace = 2.429160915406335 (1.26266e-06% change) linmin: converged after 6 iterations. iteration 409: trace = 2.429160890787283 (1.01348e-06% change) linmin: converged after 10 iterations. iteration 410: trace = 2.429160865912935 (1.02399e-06% change) linmin: converged after 4 iterations. iteration 411: trace = 2.429160859681612 (2.56522e-07% change) large trace change predicted (1.04374e-06%) linmin: converged after 3 iterations. iteration 412: trace = 2.429160834324978 (1.04384e-06% change) linmin: converged after 13 iterations. iteration 413: trace = 2.429160822552582 (4.84628e-07% change) linmin: converged after 3 iterations. iteration 414: trace = 2.429160810479629 (4.97001e-07% change) linmin: converged after 2 iterations. iteration 415: trace = 2.429160794270682 (6.67265e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.429160786868144 (3.04736e-07% change) linmin: converged after 9 iterations. iteration 417: trace = 2.429160778191858 (3.57172e-07% change) linmin: converged after 3 iterations. iteration 418: trace = 2.429160770947577 (2.98222e-07% change) large trace change predicted (7.45595e-07%) linmin: converged after 4 iterations. iteration 419: trace = 2.429160752836823 (7.45556e-07% change) resetting CG direction... linmin: converged after 12 iterations. iteration 420: trace = 2.429160739586965 (5.4545e-07% change) linmin: converged after 6 iterations. iteration 421: trace = 2.429160730537375 (3.7254e-07% change) linmin: converged after 2 iterations. iteration 422: trace = 2.429160724763051 (2.37709e-07% change) linmin: converged after 7 iterations. iteration 423: trace = 2.429160719570453 (2.13761e-07% change) large trace change predicted (7.00133e-07%) linmin: converged after 21 iterations. iteration 424: trace = 2.429160702563295 (7.00125e-07% change) linmin: converged after 4 iterations. iteration 425: trace = 2.429160697115749 (2.24256e-07% change) large trace change predicted (5.1037e-07%) linmin: converged after 6 iterations. iteration 426: trace = 2.42916068471825 (5.10361e-07% change) linmin: converged after 6 iterations. iteration 427: trace = 2.429160666635492 (7.44404e-07% change) linmin: converged after 4 iterations. iteration 428: trace = 2.429160659172078 (3.07243e-07% change) linmin: converged after 7 iterations. iteration 429: trace = 2.429160644444301 (6.06291e-07% change) linmin: converged after 4 iterations. iteration 430: trace = 2.429160624952865 (8.02394e-07% change) linmin: converged after 9 iterations. iteration 431: trace = 2.429160619104701 (2.40748e-07% change) large trace change predicted (9.7676e-07%) linmin: converged after 11 iterations. iteration 432: trace = 2.429160595379874 (9.76668e-07% change) linmin: converged after 3 iterations. iteration 433: trace = 2.4291605797672 (6.42719e-07% change) linmin: converged after 6 iterations. iteration 434: trace = 2.429160557386624 (9.2133e-07% change) linmin: converged after 10 iterations. iteration 435: trace = 2.429160537761554 (8.07895e-07% change) linmin: converged after 10 iterations. iteration 436: trace = 2.429160526861633 (4.48711e-07% change) linmin: converged after 17 iterations. iteration 437: trace = 2.429160510496093 (6.73712e-07% change) linmin: converged after 3 iterations. iteration 438: trace = 2.429160494711398 (6.498e-07% change) linmin: converged after 5 iterations. iteration 439: trace = 2.429160486694368 (3.30033e-07% change) linmin: converged after 15 iterations. iteration 440: trace = 2.42916047882103 (3.24118e-07% change) linmin: converged after 13 iterations. iteration 441: trace = 2.429160470234992 (3.53457e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.429160467856385 (9.79189e-08% change) linmin: converged after 19 iterations. iteration 443: trace = 2.429160463831151 (1.65705e-07% change) linmin: converged after 7 iterations. iteration 444: trace = 2.429160457686066 (2.52972e-07% change) linmin: converged after 4 iterations. iteration 445: trace = 2.429160455712316 (8.12523e-08% change) large trace change predicted (4.03865e-07%) linmin: converged after 6 iterations. iteration 446: trace = 2.429160445901539 (4.03875e-07% change) linmin: converged after 9 iterations. iteration 447: trace = 2.429160436720489 (3.77952e-07% change) linmin: converged after 2 iterations. iteration 448: trace = 2.429160433539449 (1.30952e-07% change) large trace change predicted (4.12445e-07%) linmin: converged after 11 iterations. iteration 449: trace = 2.429160423520147 (4.12459e-07% change) linmin: converged after 3 iterations. iteration 450: trace = 2.429160409222536 (5.88582e-07% change) linmin: converged after 4 iterations. iteration 451: trace = 2.429160403858268 (2.20828e-07% change) large trace change predicted (5.3769e-07%) linmin: converged after 5 iterations. iteration 452: trace = 2.429160390796208 (5.37719e-07% change) linmin: converged after 6 iterations. iteration 453: trace = 2.429160369243609 (8.87245e-07% change) linmin: converged after 5 iterations. iteration 454: trace = 2.429160365273726 (1.63426e-07% change) large trace change predicted (6.34754e-07%) linmin: converged after 9 iterations. iteration 455: trace = 2.429160349852637 (6.34832e-07% change) linmin: converged after 2 iterations. iteration 456: trace = 2.429160340465358 (3.86441e-07% change) linmin: converged after 17 iterations. iteration 457: trace = 2.429160335681417 (1.96938e-07% change) linmin: converged after 4 iterations. iteration 458: trace = 2.429160328469846 (2.96875e-07% change) linmin: converged after 8 iterations. iteration 459: trace = 2.42916032225174 (2.55978e-07% change) linmin: converged after 19 iterations. iteration 460: trace = 2.42916031538806 (2.82554e-07% change) linmin: converged after 5 iterations. iteration 461: trace = 2.429160307051307 (3.43195e-07% change) linmin: converged after 8 iterations. iteration 462: trace = 2.429160304951536 (8.64402e-08% change) large trace change predicted (2.06878e-07%) linmin: converged after 3 iterations. iteration 463: trace = 2.429160299926093 (2.0688e-07% change) linmin: converged after 6 iterations. iteration 464: trace = 2.429160295228535 (1.93382e-07% change) linmin: converged after 9 iterations. iteration 465: trace = 2.429160292940201 (9.42027e-08% change) linmin: converged after 4 iterations. iteration 466: trace = 2.429160289924876 (1.2413e-07% change) linmin: converged after 9 iterations. iteration 467: trace = 2.429160284427077 (2.26325e-07% change) linmin: converged after 2 iterations. iteration 468: trace = 2.429160283390882 (4.26565e-08% change) large trace change predicted (3.37778e-07%) linmin: converged after 10 iterations. iteration 469: trace = 2.429160275185771 (3.37776e-07% change) linmin: converged after 6 iterations. iteration 470: trace = 2.429160272626115 (1.05372e-07% change) large trace change predicted (4.14223e-07%) linmin: converged after 3 iterations. iteration 471: trace = 2.429160262564194 (4.14214e-07% change) linmin: converged after 3 iterations. iteration 472: trace = 2.429160251210739 (4.67382e-07% change) linmin: converged after 6 iterations. iteration 473: trace = 2.42916023576294 (6.35932e-07% change) linmin: converged after 3 iterations. iteration 474: trace = 2.429160231032962 (1.94717e-07% change) large trace change predicted (6.67413e-07%) linmin: converged after 20 iterations. iteration 475: trace = 2.429160214821227 (6.6738e-07% change) linmin: converged after 4 iterations. iteration 476: trace = 2.429160203867546 (4.50925e-07% change) linmin: converged after 4 iterations. iteration 477: trace = 2.429160199322132 (1.87119e-07% change) large trace change predicted (3.81325e-07%) linmin: converged after 27 iterations. iteration 478: trace = 2.429160190059395 (3.81314e-07% change) linmin: converged after 4 iterations. iteration 479: trace = 2.429160184963958 (2.09761e-07% change) linmin: converged after 4 iterations. iteration 480: trace = 2.429160182536235 (9.99409e-08% change) linmin: converged after 5 iterations. iteration 481: trace = 2.429160178153689 (1.80414e-07% change) linmin: converged after 3 iterations. iteration 482: trace = 2.429160173265569 (2.01227e-07% change) linmin: converged after 6 iterations. iteration 483: trace = 2.429160168444519 (1.98466e-07% change) linmin: converged after 31 iterations. iteration 484: trace = 2.429160162554148 (2.42486e-07% change) linmin: converged after 15 iterations. iteration 485: trace = 2.42916016098529 (6.45844e-08% change) large trace change predicted (1.51359e-07%) linmin: converged after 3 iterations. iteration 486: trace = 2.429160157308518 (1.5136e-07% change) linmin: converged after 21 iterations. iteration 487: trace = 2.429160152064144 (2.15892e-07% change) linmin: converged after 13 iterations. iteration 488: trace = 2.429160150600116 (6.02689e-08% change) large trace change predicted (1.65788e-07%) linmin: converged after 3 iterations. iteration 489: trace = 2.429160146572889 (1.65787e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.429160143109999 (1.42555e-07% change) linmin: converged after 13 iterations. iteration 491: trace = 2.429160141774804 (5.49653e-08% change) large trace change predicted (1.87946e-07%) linmin: converged after 16 iterations. iteration 492: trace = 2.429160137209224 (1.87949e-07% change) linmin: converged after 3 iterations. iteration 493: trace = 2.429160134545369 (1.09662e-07% change) linmin: converged after 5 iterations. iteration 494: trace = 2.429160132729607 (7.47485e-08% change) large trace change predicted (2.19501e-07%) linmin: converged after 8 iterations. iteration 495: trace = 2.429160127397544 (2.19502e-07% change) linmin: converged after 16 iterations. iteration 496: trace = 2.429160125965343 (5.89587e-08% change) large trace change predicted (2.6351e-07%) linmin: converged after 3 iterations. iteration 497: trace = 2.429160119564294 (2.63509e-07% change) linmin: converged after 8 iterations. iteration 498: trace = 2.429160116734033 (1.16512e-07% change) linmin: converged after 3 iterations. iteration 499: trace = 2.429160115191659 (6.34941e-08% change) large trace change predicted (1.9236e-07%) linmin: converged after 3 iterations. iteration 500: trace = 2.429160110518885 (1.92362e-07% change) linmin: converged after 12 iterations. iteration 501: trace = 2.429160105528207 (2.05449e-07% change) linmin: converged after 15 iterations. iteration 502: trace = 2.429160102894765 (1.0841e-07% change) large trace change predicted (3.11111e-07%) linmin: converged after 23 iterations. iteration 503: trace = 2.429160095337199 (3.11118e-07% change) linmin: converged after 6 iterations. iteration 504: trace = 2.429160092159261 (1.30825e-07% change) large trace change predicted (3.09998e-07%) linmin: converged after 5 iterations. iteration 505: trace = 2.42916008462877 (3.10004e-07% change) linmin: converged after 7 iterations. iteration 506: trace = 2.42916007621103 (3.46529e-07% change) linmin: converged after 3 iterations. iteration 507: trace = 2.429160071827713 (1.80446e-07% change) linmin: converged after 7 iterations. iteration 508: trace = 2.429160067386099 (1.82846e-07% change) linmin: converged after 4 iterations. iteration 509: trace = 2.42916006115866 (2.56362e-07% change) linmin: converged after 4 iterations. iteration 510: trace = 2.429160059047279 (8.69181e-08% change) linmin: converged after 4 iterations. iteration 511: trace = 2.429160056746093 (9.47318e-08% change) linmin: converged after 4 iterations. iteration 512: trace = 2.429160054673741 (8.53115e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.429160053823607 (3.4997e-08% change) linmin: converged after 4 iterations. iteration 514: trace = 2.429160052906892 (3.77379e-08% change) large trace change predicted (1.10361e-07%) linmin: converged after 7 iterations. iteration 515: trace = 2.429160050226149 (1.10357e-07% change) linmin: converged after 8 iterations. iteration 516: trace = 2.429160049619317 (2.49812e-08% change) large trace change predicted (1.03891e-07%) linmin: converged after 4 iterations. iteration 517: trace = 2.429160047095664 (1.0389e-07% change) linmin: converged after 8 iterations. iteration 518: trace = 2.42916004369386 (1.4004e-07% change) linmin: converged after 6 iterations. iteration 519: trace = 2.429160042766972 (3.81567e-08% change) large trace change predicted (1.87188e-07%) linmin: converged after 4 iterations. iteration 520: trace = 2.429160038220054 (1.87181e-07% change) linmin: converged after 6 iterations. iteration 521: trace = 2.429160035383047 (1.1679e-07% change) linmin: converged after 7 iterations. iteration 522: trace = 2.429160031368913 (1.65248e-07% change) linmin: converged after 14 iterations. iteration 523: trace = 2.429160029550924 (7.48402e-08% change) large trace change predicted (1.99251e-07%) linmin: converged after 7 iterations. iteration 524: trace = 2.429160024711098 (1.99239e-07% change) linmin: converged after 9 iterations. iteration 525: trace = 2.429160023518538 (4.90935e-08% change) large trace change predicted (2.43829e-07%) linmin: converged after 4 iterations. iteration 526: trace = 2.429160017595835 (2.43817e-07% change) linmin: converged after 8 iterations. iteration 527: trace = 2.429160012997484 (1.89298e-07% change) linmin: converged after 4 iterations. iteration 528: trace = 2.429160010747484 (9.26246e-08% change) linmin: converged after 7 iterations. iteration 529: trace = 2.429160007290114 (1.42328e-07% change) linmin: converged after 6 iterations. iteration 530: trace = 2.429160004353959 (1.20871e-07% change) linmin: converged after 13 iterations. iteration 531: trace = 2.4291600034548 (3.70152e-08% change) large trace change predicted (9.26542e-08%) linmin: converged after 6 iterations. iteration 532: trace = 2.429160001204094 (9.26537e-08% change) linmin: converged after 4 iterations. iteration 533: trace = 2.429159999953416 (5.1486e-08% change) linmin: converged after 30 iterations. iteration 534: trace = 2.429159998640363 (5.40538e-08% change) linmin: converged after 2 iterations. iteration 535: trace = 2.429159997603382 (4.26888e-08% change) linmin: converged after 4 iterations. iteration 536: trace = 2.429159996198432 (5.78369e-08% change) linmin: converged after 3 iterations. iteration 537: trace = 2.429159995773238 (1.75037e-08% change) large trace change predicted (1.01276e-07%) linmin: converged after 12 iterations. iteration 538: trace = 2.429159993313064 (1.01277e-07% change) linmin: converged after 7 iterations. iteration 539: trace = 2.42915999214017 (4.82839e-08% change) large trace change predicted (9.70116e-08%) linmin: converged after 4 iterations. iteration 540: trace = 2.429159989783568 (9.7013e-08% change) linmin: converged after 4 iterations. iteration 541: trace = 2.429159986517198 (1.34465e-07% change) linmin: converged after 2 iterations. iteration 542: trace = 2.429159985396192 (4.61479e-08% change) large trace change predicted (1.71976e-07%) linmin: converged after 4 iterations. iteration 543: trace = 2.429159981218528 (1.7198e-07% change) linmin: converged after 17 iterations. iteration 544: trace = 2.429159977633575 (1.4758e-07% change) linmin: converged after 4 iterations. iteration 545: trace = 2.429159976264367 (5.63655e-08% change) large trace change predicted (2.14959e-07%) linmin: converged after 10 iterations. iteration 546: trace = 2.429159971042408 (2.1497e-07% change) linmin: converged after 7 iterations. iteration 547: trace = 2.429159967060587 (1.63918e-07% change) linmin: converged after 9 iterations. iteration 548: trace = 2.42915996621577 (3.47781e-08% change) large trace change predicted (1.35427e-07%) linmin: converged after 6 iterations. iteration 549: trace = 2.429159962925931 (1.35431e-07% change) linmin: converged after 32 iterations. iteration 550: trace = 2.429159961511705 (5.82187e-08% change) linmin: converged after 9 iterations. iteration 551: trace = 2.429159960614168 (3.69484e-08% change) large trace change predicted (1.1284e-07%) linmin: converged after 10 iterations. iteration 552: trace = 2.429159957873047 (1.12842e-07% change) linmin: converged after 4 iterations. iteration 553: trace = 2.429159956828478 (4.30013e-08% change) linmin: converged after 4 iterations. iteration 554: trace = 2.429159955707717 (4.61378e-08% change) linmin: converged after 4 iterations. iteration 555: trace = 2.429159953635327 (8.5313e-08% change) linmin: converged after 4 iterations. iteration 556: trace = 2.429159952567418 (4.39621e-08% change) linmin: converged after 4 iterations. iteration 557: trace = 2.42915995209386 (1.94947e-08% change) linmin: converged after 3 iterations. iteration 558: trace = 2.429159951198521 (3.6858e-08% change) large trace change predicted (1.36283e-07%) linmin: converged after 8 iterations. iteration 559: trace = 2.429159947887974 (1.36284e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.429159945619617 (9.33803e-08% change) linmin: converged after 4 iterations. iteration 561: trace = 2.429159944225417 (5.73943e-08% change) linmin: converged after 6 iterations. iteration 562: trace = 2.429159943810292 (1.70893e-08% change) linmin: converged after 4 iterations. iteration 563: trace = 2.429159943266191 (2.23987e-08% change) large trace change predicted (8.02862e-08%) linmin: converged after 5 iterations. iteration 564: trace = 2.429159941315925 (8.02856e-08% change) linmin: converged after 4 iterations. iteration 565: trace = 2.429159940820047 (2.04136e-08% change) large trace change predicted (6.08647e-08%) linmin: converged after 4 iterations. iteration 566: trace = 2.429159939341557 (6.08643e-08% change) linmin: converged after 14 iterations. iteration 567: trace = 2.429159937987567 (5.5739e-08% change) linmin: converged after 4 iterations. iteration 568: trace = 2.429159937489906 (2.0487e-08% change) large trace change predicted (7.53502e-08%) linmin: converged after 10 iterations. iteration 569: trace = 2.429159935659628 (7.53461e-08% change) linmin: converged after 5 iterations. iteration 570: trace = 2.42915993421171 (5.96057e-08% change) linmin: converged after 3 iterations. iteration 571: trace = 2.429159933553923 (2.70788e-08% change) large trace change predicted (1.16014e-07%) linmin: converged after 15 iterations. iteration 572: trace = 2.429159930735858 (1.1601e-07% change) linmin: converged after 11 iterations. iteration 573: trace = 2.42915992974513 (4.07848e-08% change) large trace change predicted (1.21538e-07%) linmin: converged after 26 iterations. iteration 574: trace = 2.429159926792872 (1.21534e-07% change) linmin: converged after 14 iterations. iteration 575: trace = 2.429159924762228 (8.35945e-08% change) linmin: converged after 11 iterations. iteration 576: trace = 2.429159922770588 (8.19889e-08% change) linmin: converged after 7 iterations. iteration 577: trace = 2.42915992195133 (3.3726e-08% change) large trace change predicted (7.86519e-08%) linmin: converged after 4 iterations. iteration 578: trace = 2.429159920040788 (7.86503e-08% change) linmin: converged after 6 iterations. iteration 579: trace = 2.429159919300949 (3.04566e-08% change) linmin: converged after 4 iterations. iteration 580: trace = 2.429159918469713 (3.4219e-08% change) linmin: converged after 19 iterations. iteration 581: trace = 2.429159917560508 (3.74288e-08% change) linmin: converged after 6 iterations. iteration 582: trace = 2.429159917268661 (1.20143e-08% change) linmin: converged after 3 iterations. iteration 583: trace = 2.429159916816157 (1.8628e-08% change) linmin: converged after 6 iterations. iteration 584: trace = 2.429159916258878 (2.29412e-08% change) linmin: converged after 5 iterations. iteration 585: trace = 2.42915991547506 (3.2267e-08% change) linmin: converged after 14 iterations. iteration 586: trace = 2.429159915268955 (8.48465e-09% change) large trace change predicted (4.5446e-08%) linmin: converged after 24 iterations. iteration 587: trace = 2.429159914164989 (4.54464e-08% change) linmin: converged after 5 iterations. iteration 588: trace = 2.429159913628775 (2.20741e-08% change) linmin: converged after 5 iterations. iteration 589: trace = 2.429159913056678 (2.35512e-08% change) large trace change predicted (5.75605e-08%) linmin: converged after 4 iterations. iteration 590: trace = 2.429159911658389 (5.75626e-08% change) linmin: converged after 4 iterations. iteration 591: trace = 2.429159910347674 (5.39576e-08% change) linmin: converged after 6 iterations. iteration 592: trace = 2.429159909650985 (2.86802e-08% change) large trace change predicted (8.3773e-08%) linmin: converged after 17 iterations. iteration 593: trace = 2.429159907615959 (8.37749e-08% change) linmin: converged after 6 iterations. iteration 594: trace = 2.429159907006183 (2.51023e-08% change) large trace change predicted (7.01285e-08%) linmin: converged after 4 iterations. iteration 595: trace = 2.429159905302602 (7.01305e-08% change) linmin: converged after 16 iterations. iteration 596: trace = 2.429159904225642 (4.43347e-08% change) linmin: converged after 6 iterations. iteration 597: trace = 2.429159903421816 (3.30907e-08% change) linmin: converged after 4 iterations. iteration 598: trace = 2.429159902865782 (2.289e-08% change) large trace change predicted (4.80762e-08%) linmin: converged after 2 iterations. iteration 599: trace = 2.429159901697921 (4.80767e-08% change) linmin: converged after 4 iterations. iteration 600: trace = 2.429159901434025 (1.08637e-08% change) large trace change predicted (3.87386e-08%) linmin: converged after 4 iterations. iteration 601: trace = 2.429159900492991 (3.87391e-08% change) linmin: converged after 12 iterations. iteration 602: trace = 2.429159899823337 (2.75673e-08% change) linmin: converged after 13 iterations. iteration 603: trace = 2.429159899480456 (1.41152e-08% change) linmin: converged after 5 iterations. iteration 604: trace = 2.429159899170993 (1.27395e-08% change) linmin: converged after 4 iterations. iteration 605: trace = 2.429159898725686 (1.83317e-08% change) linmin: converged after 4 iterations. iteration 606: trace = 2.429159898475882 (1.02835e-08% change) linmin: converged after 3 iterations. iteration 607: trace = 2.429159898219494 (1.05546e-08% change) large trace change predicted (2.7167e-08%) linmin: converged after 4 iterations. iteration 608: trace = 2.429159897559575 (2.71666e-08% change) linmin: converged after 13 iterations. iteration 609: trace = 2.429159897437141 (5.04016e-09% change) large trace change predicted (4.4209e-08%) linmin: converged after 7 iterations. iteration 610: trace = 2.429159896363256 (4.42081e-08% change) linmin: converged after 8 iterations. iteration 611: trace = 2.429159895991292 (1.53125e-08% change) large trace change predicted (3.77759e-08%) linmin: converged after 15 iterations. iteration 612: trace = 2.429159895073667 (3.77754e-08% change) linmin: converged after 4 iterations. iteration 613: trace = 2.429159893485998 (6.53588e-08% change) linmin: converged after 15 iterations. iteration 614: trace = 2.429159891590764 (7.80202e-08% change) linmin: converged after 4 iterations. iteration 615: trace = 2.429159891078084 (2.11052e-08% change) large trace change predicted (4.72098e-08%) linmin: converged after 4 iterations. iteration 616: trace = 2.429159889931285 (4.72097e-08% change) linmin: converged after 4 iterations. iteration 617: trace = 2.429159889318 (2.52468e-08% change) linmin: converged after 30 iterations. iteration 618: trace = 2.429159888699695 (2.54534e-08% change) linmin: converged after 7 iterations. iteration 619: trace = 2.42915988808479 (2.53135e-08% change) linmin: converged after 3 iterations. iteration 620: trace = 2.429159887817831 (1.09898e-08% change) linmin: converged after 4 iterations. iteration 621: trace = 2.429159887443118 (1.54256e-08% change) large trace change predicted (3.52274e-08%) linmin: converged after 6 iterations. iteration 622: trace = 2.429159886587396 (3.52271e-08% change) linmin: converged after 4 iterations. iteration 623: trace = 2.429159886219932 (1.51272e-08% change) linmin: converged after 4 iterations. iteration 624: trace = 2.429159885948714 (1.11651e-08% change) linmin: converged after 5 iterations. iteration 625: trace = 2.429159885480614 (1.927e-08% change) linmin: converged after 3 iterations. iteration 626: trace = 2.429159885063529 (1.71699e-08% change) linmin: converged after 4 iterations. iteration 627: trace = 2.429159884801017 (1.08067e-08% change) linmin: converged after 24 iterations. iteration 628: trace = 2.429159884308785 (2.02635e-08% change) linmin: converged after 4 iterations. iteration 629: trace = 2.42915988409879 (8.64476e-09% change) resetting CG direction... linmin: converged after 29 iterations. iteration 630: trace = 2.429159883923386 (7.22077e-09% change) large trace change predicted (1.59748e-08%) linmin: converged after 10 iterations. iteration 631: trace = 2.429159883535328 (1.5975e-08% change) linmin: converged after 4 iterations. iteration 632: trace = 2.429159883309192 (9.30923e-09% change) linmin: converged after 14 iterations. iteration 633: trace = 2.429159882988082 (1.3219e-08% change) linmin: converged after 4 iterations. iteration 634: trace = 2.429159882496865 (2.02217e-08% change) linmin: converged after 2 iterations. iteration 635: trace = 2.429159882247063 (1.02835e-08% change) linmin: converged after 25 iterations. iteration 636: trace = 2.429159881992391 (1.0484e-08% change) large trace change predicted (2.88008e-08%) linmin: converged after 6 iterations. iteration 637: trace = 2.429159881292772 (2.88008e-08% change) linmin: converged after 10 iterations. iteration 638: trace = 2.429159880957295 (1.38104e-08% change) linmin: converged after 5 iterations. iteration 639: trace = 2.429159880728038 (9.43771e-09% change) linmin: converged after 11 iterations. iteration 640: trace = 2.429159880344708 (1.57804e-08% change) linmin: converged after 13 iterations. iteration 641: trace = 2.429159879948127 (1.63258e-08% change) linmin: converged after 7 iterations. iteration 642: trace = 2.429159879561123 (1.59316e-08% change) large trace change predicted (3.48015e-08%) linmin: converged after 4 iterations. iteration 643: trace = 2.429159878715728 (3.48019e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.429159878436534 (1.14935e-08% change) large trace change predicted (3.45312e-08%) linmin: converged after 7 iterations. iteration 645: trace = 2.429159877597703 (3.45317e-08% change) linmin: converged after 6 iterations. iteration 646: trace = 2.429159876729011 (3.5761e-08% change) linmin: converged after 8 iterations. iteration 647: trace = 2.429159876464457 (1.08907e-08% change) large trace change predicted (2.41291e-08%) linmin: converged after 2 iterations. iteration 648: trace = 2.429159875878322 (2.41291e-08% change) linmin: converged after 4 iterations. iteration 649: trace = 2.429159875298402 (2.38733e-08% change) linmin: converged after 3 iterations. iteration 650: trace = 2.429159875204298 (3.87391e-09% change) large trace change predicted (1.46253e-08%) linmin: converged after 4 iterations. iteration 651: trace = 2.429159874849023 (1.46254e-08% change) linmin: converged after 11 iterations. iteration 652: trace = 2.429159874748661 (4.13155e-09% change) linmin: converged after 27 iterations. iteration 653: trace = 2.429159874562753 (7.65319e-09% change) linmin: converged after 4 iterations. iteration 654: trace = 2.429159874428725 (5.51746e-09% change) linmin: converged after 4 iterations. iteration 655: trace = 2.429159874216798 (8.72429e-09% change) linmin: converged after 2 iterations. iteration 656: trace = 2.429159874102526 (4.70418e-09% change) large trace change predicted (1.32912e-08%) linmin: converged after 9 iterations. iteration 657: trace = 2.429159873779663 (1.32911e-08% change) linmin: converged after 24 iterations. iteration 658: trace = 2.429159873549111 (9.49102e-09% change) linmin: converged after 6 iterations. iteration 659: trace = 2.429159873373596 (7.22536e-09% change) large trace change predicted (2.2156e-08%) linmin: converged after 19 iterations. iteration 660: trace = 2.429159872835396 (2.21558e-08% change) linmin: converged after 3 iterations. iteration 661: trace = 2.429159872705757 (5.33676e-09% change) large trace change predicted (1.60297e-08%) linmin: converged after 31 iterations. iteration 662: trace = 2.429159872316372 (1.60296e-08% change) linmin: converged after 10 iterations. iteration 663: trace = 2.429159871935425 (1.56823e-08% change) linmin: converged after 7 iterations. iteration 664: trace = 2.429159871486376 (1.84858e-08% change) linmin: converged after 6 iterations. iteration 665: trace = 2.429159871357078 (5.32276e-09% change) large trace change predicted (3.18053e-08%) linmin: converged after 5 iterations. iteration 666: trace = 2.429159870584503 (3.18042e-08% change) linmin: converged after 6 iterations. iteration 667: trace = 2.429159870173317 (1.69271e-08% change) linmin: converged after 4 iterations. iteration 668: trace = 2.429159869950629 (9.16731e-09% change) linmin: converged after 4 iterations. iteration 669: trace = 2.429159869614651 (1.3831e-08% change) linmin: converged after 8 iterations. iteration 670: trace = 2.429159869436647 (7.32781e-09% change) linmin: converged after 14 iterations. iteration 671: trace = 2.429159869217567 (9.01873e-09% change) linmin: converged after 15 iterations. iteration 672: trace = 2.429159869002919 (8.8363e-09% change) linmin: converged after 16 iterations. iteration 673: trace = 2.42915986891721 (3.52835e-09% change) large trace change predicted (7.80294e-09%) linmin: converged after 4 iterations. iteration 674: trace = 2.429159868727664 (7.80293e-09% change) linmin: converged after 24 iterations. iteration 675: trace = 2.429159868574475 (6.30627e-09% change) linmin: converged after 21 iterations. iteration 676: trace = 2.429159868526776 (1.96361e-09% change) linmin: converged after 9 iterations. iteration 677: trace = 2.429159868433023 (3.85948e-09% change) large trace change predicted (9.62991e-09%) linmin: converged after 18 iterations. iteration 678: trace = 2.429159868199096 (9.62996e-09% change) linmin: converged after 4 iterations. iteration 679: trace = 2.429159868151658 (1.95284e-09% change) large trace change predicted (1.36815e-08%) linmin: converged after 4 iterations. iteration 680: trace = 2.429159867819307 (1.36817e-08% change) linmin: converged after 6 iterations. iteration 681: trace = 2.429159867476866 (1.40971e-08% change) linmin: converged after 23 iterations. iteration 682: trace = 2.429159867353786 (5.06676e-09% change) large trace change predicted (1.91499e-08%) linmin: converged after 9 iterations. iteration 683: trace = 2.429159866888595 (1.91503e-08% change) linmin: converged after 7 iterations. iteration 684: trace = 2.429159866552485 (1.38365e-08% change) linmin: converged after 18 iterations. iteration 685: trace = 2.429159866404837 (6.07814e-09% change) large trace change predicted (1.86731e-08%) linmin: converged after 4 iterations. iteration 686: trace = 2.429159865951227 (1.86736e-08% change) linmin: converged after 23 iterations. iteration 687: trace = 2.429159865647892 (1.24872e-08% change) linmin: converged after 8 iterations. iteration 688: trace = 2.429159865493814 (6.34284e-09% change) large trace change predicted (1.51764e-08%) linmin: converged after 4 iterations. iteration 689: trace = 2.42915986512515 (1.51766e-08% change) linmin: converged after 31 iterations. iteration 690: trace = 2.429159864961798 (6.72467e-09% change) linmin: converged after 13 iterations. iteration 691: trace = 2.429159864877884 (3.45444e-09% change) large trace change predicted (1.31379e-08%) linmin: converged after 10 iterations. iteration 692: trace = 2.429159864558741 (1.3138e-08% change) linmin: converged after 8 iterations. iteration 693: trace = 2.429159864388079 (7.02554e-09% change) linmin: converged after 15 iterations. iteration 694: trace = 2.429159864329951 (2.39295e-09% change) large trace change predicted (7.26982e-09%) linmin: converged after 28 iterations. iteration 695: trace = 2.429159864153355 (7.26982e-09% change) linmin: converged after 14 iterations. iteration 696: trace = 2.429159864047011 (4.37782e-09% change) linmin: converged after 4 iterations. iteration 697: trace = 2.42915986398621 (2.50293e-09% change) linmin: converged after 7 iterations. iteration 698: trace = 2.429159863893809 (3.80383e-09% change) large trace change predicted (1.34954e-08%) linmin: converged after 20 iterations. iteration 699: trace = 2.429159863565991 (1.34951e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 700: trace = 2.429159863368707 (8.12149e-09% change) linmin: converged after 12 iterations. iteration 701: trace = 2.429159863198481 (7.00765e-09% change) linmin: converged after 21 iterations. iteration 702: trace = 2.429159863161707 (1.51383e-09% change) large trace change predicted (3.28016e-09%) linmin: converged after 4 iterations. iteration 703: trace = 2.429159863082028 (3.2801e-09% change) large trace change predicted (6.83995e-09%) linmin: converged after 4 iterations. iteration 704: trace = 2.429159862915878 (6.83984e-09% change) linmin: converged after 18 iterations. iteration 705: trace = 2.429159862882806 (1.36145e-09% change) large trace change predicted (7.31193e-09%) linmin: converged after 20 iterations. iteration 706: trace = 2.429159862705189 (7.31187e-09% change) linmin: converged after 3 iterations. iteration 707: trace = 2.429159862567829 (5.65464e-09% change) linmin: converged after 33 iterations. iteration 708: trace = 2.42915986249851 (2.85359e-09% change) large trace change predicted (8.25612e-09%) linmin: converged after 6 iterations. iteration 709: trace = 2.429159862297957 (8.25608e-09% change) linmin: converged after 2 iterations. iteration 710: trace = 2.429159862167181 (5.38356e-09% change) linmin: converged after 28 iterations. iteration 711: trace = 2.429159862072796 (3.88552e-09% change) large trace change predicted (1.01987e-08%) linmin: converged after 4 iterations. iteration 712: trace = 2.429159861825058 (1.01985e-08% change) linmin: converged after 6 iterations. iteration 713: trace = 2.429159861654926 (7.00372e-09% change) linmin: converged after 4 iterations. iteration 714: trace = 2.429159861493386 (6.65006e-09% change) linmin: converged after 7 iterations. iteration 715: trace = 2.42915986120419 (1.19052e-08% change) linmin: converged after 6 iterations. iteration 716: trace = 2.42915986112252 (3.36206e-09% change) large trace change predicted (7.07413e-09%) linmin: converged after 7 iterations. iteration 717: trace = 2.42915986095068 (7.07405e-09% change) linmin: converged after 12 iterations. iteration 718: trace = 2.429159860700708 (1.02905e-08% change) linmin: converged after 18 iterations. iteration 719: trace = 2.429159860617927 (3.4078e-09% change) linmin: converged after 23 iterations. iteration 720: trace = 2.429159860521937 (3.95157e-09% change) linmin: converged after 16 iterations. iteration 721: trace = 2.429159860440143 (3.36716e-09% change) linmin: converged after 4 iterations. iteration 722: trace = 2.429159860417119 (9.47828e-10% change) large trace change predicted (3.15202e-09%) linmin: converged after 4 iterations. iteration 723: trace = 2.429159860340548 (3.15215e-09% change) linmin: converged after 15 iterations. iteration 724: trace = 2.429159860295953 (1.83584e-09% change) linmin: converged after 9 iterations. iteration 725: trace = 2.429159860239705 (2.31553e-09% change) linmin: converged after 6 iterations. iteration 726: trace = 2.429159860196932 (1.76081e-09% change) large trace change predicted (5.06939e-09%) linmin: converged after 6 iterations. iteration 727: trace = 2.429159860073788 (5.06943e-09% change) linmin: converged after 22 iterations. iteration 728: trace = 2.42915986005199 (8.97334e-10% change) large trace change predicted (5.36955e-09%) linmin: converged after 4 iterations. iteration 729: trace = 2.429159859921552 (5.36969e-09% change) linmin: converged after 4 iterations. iteration 730: trace = 2.429159859801484 (4.94278e-09% change) linmin: converged after 4 iterations. iteration 731: trace = 2.429159859628455 (7.12299e-09% change) linmin: converged after 11 iterations. iteration 732: trace = 2.429159859563245 (2.68447e-09% change) large trace change predicted (7.67191e-09%) linmin: converged after 4 iterations. iteration 733: trace = 2.429159859376881 (7.67195e-09% change) linmin: converged after 4 iterations. iteration 734: trace = 2.429159859252292 (5.1289e-09% change) linmin: converged after 5 iterations. iteration 735: trace = 2.429159859139257 (4.65325e-09% change) linmin: converged after 7 iterations. iteration 736: trace = 2.42915985900953 (5.34042e-09% change) linmin: converged after 18 iterations. iteration 737: trace = 2.429159858931232 (3.22323e-09% change) linmin: converged after 4 iterations. iteration 738: trace = 2.429159858883374 (1.97017e-09% change) large trace change predicted (5.35956e-09%) linmin: converged after 9 iterations. iteration 739: trace = 2.42915985875318 (5.35963e-09% change) linmin: converged after 4 iterations. iteration 740: trace = 2.429159858672493 (3.32158e-09% change) linmin: converged after 16 iterations. iteration 741: trace = 2.429159858617272 (2.27326e-09% change) linmin: converged after 20 iterations. iteration 742: trace = 2.429159858552005 (2.68681e-09% change) linmin: converged after 9 iterations. iteration 743: trace = 2.429159858526139 (1.06479e-09% change) linmin: converged after 7 iterations. iteration 744: trace = 2.429159858485464 (1.67447e-09% change) linmin: converged after 17 iterations. iteration 745: trace = 2.429159858428432 (2.34781e-09% change) linmin: converged after 4 iterations. iteration 746: trace = 2.429159858394494 (1.3971e-09% change) linmin: converged after 2 iterations. iteration 747: trace = 2.429159858376924 (7.23293e-10% change) large trace change predicted (2.67914e-09%) linmin: converged after 11 iterations. iteration 748: trace = 2.429159858311844 (2.67913e-09% change) linmin: converged after 6 iterations. iteration 749: trace = 2.429159858297105 (6.06748e-10% change) large trace change predicted (4.60515e-09%) linmin: converged after 8 iterations. iteration 750: trace = 2.429159858185237 (4.60519e-09% change) linmin: converged after 25 iterations. iteration 751: trace = 2.429159858070221 (4.73484e-09% change) linmin: converged after 13 iterations. iteration 752: trace = 2.429159857999704 (2.90293e-09% change) linmin: converged after 14 iterations. iteration 753: trace = 2.429159857874695 (5.14616e-09% change) linmin: converged after 4 iterations. iteration 754: trace = 2.429159857737366 (5.65336e-09% change) linmin: converged after 4 iterations. iteration 755: trace = 2.429159857643179 (3.87734e-09% change) linmin: converged after 15 iterations. iteration 756: trace = 2.42915985751941 (5.09514e-09% change) linmin: converged after 4 iterations. iteration 757: trace = 2.429159857414316 (4.32634e-09% change) linmin: converged after 4 iterations. iteration 758: trace = 2.429159857390589 (9.76786e-10% change) large trace change predicted (2.9025e-09%) linmin: converged after 8 iterations. iteration 759: trace = 2.429159857320083 (2.90248e-09% change) linmin: converged after 17 iterations. iteration 760: trace = 2.429159857269182 (2.09542e-09% change) linmin: converged after 3 iterations. iteration 761: trace = 2.429159857240542 (1.179e-09% change) linmin: converged after 21 iterations. iteration 762: trace = 2.429159857183744 (2.33818e-09% change) linmin: converged after 4 iterations. iteration 763: trace = 2.429159857119314 (2.65237e-09% change) linmin: converged after 4 iterations. iteration 764: trace = 2.42915985710589 (5.52598e-10% change) large trace change predicted (3.08551e-09%) linmin: converged after 14 iterations. iteration 765: trace = 2.429159857030935 (3.08562e-09% change) linmin: converged after 3 iterations. iteration 766: trace = 2.429159856986197 (1.84172e-09% change) linmin: converged after 4 iterations. iteration 767: trace = 2.429159856963364 (9.39967e-10% change) linmin: converged after 3 iterations. iteration 768: trace = 2.429159856926341 (1.52408e-09% change) large trace change predicted (3.62215e-09%) linmin: converged after 3 iterations. iteration 769: trace = 2.429159856838353 (3.62219e-09% change) resetting CG direction... linmin: converged after 8 iterations. iteration 770: trace = 2.429159856799472 (1.60059e-09% change) linmin: converged after 4 iterations. iteration 771: trace = 2.429159856746584 (2.17719e-09% change) linmin: converged after 15 iterations. iteration 772: trace = 2.429159856716447 (1.24064e-09% change) linmin: converged after 4 iterations. iteration 773: trace = 2.429159856692969 (9.66493e-10% change) linmin: converged after 22 iterations. iteration 774: trace = 2.429159856646284 (1.92189e-09% change) linmin: converged after 4 iterations. iteration 775: trace = 2.429159856610489 (1.47355e-09% change) linmin: converged after 2 iterations. iteration 776: trace = 2.429159856584426 (1.07289e-09% change) large trace change predicted (2.55169e-09%) linmin: converged after 17 iterations. iteration 777: trace = 2.42915985652244 (2.55176e-09% change) linmin: converged after 14 iterations. iteration 778: trace = 2.429159856504473 (7.39637e-10% change) large trace change predicted (1.88245e-09%) linmin: converged after 6 iterations. iteration 779: trace = 2.429159856458738 (1.88273e-09% change) linmin: converged after 6 iterations. iteration 780: trace = 2.429159856419581 (1.61198e-09% change) linmin: converged after 18 iterations. iteration 781: trace = 2.429159856393265 (1.08333e-09% change) linmin: converged after 7 iterations. iteration 782: trace = 2.429159856353518 (1.63624e-09% change) linmin: converged after 9 iterations. iteration 783: trace = 2.429159856283865 (2.86738e-09% change) linmin: converged after 4 iterations. iteration 784: trace = 2.429159856262734 (8.69875e-10% change) large trace change predicted (3.35012e-09%) linmin: converged after 21 iterations. iteration 785: trace = 2.429159856181355 (3.3501e-09% change) linmin: converged after 8 iterations. iteration 786: trace = 2.429159856082024 (4.08912e-09% change) linmin: converged after 8 iterations. iteration 787: trace = 2.429159856052705 (1.20693e-09% change) large trace change predicted (3.68821e-09%) linmin: converged after 9 iterations. iteration 788: trace = 2.429159855963104 (3.68857e-09% change) linmin: converged after 21 iterations. iteration 789: trace = 2.429159855906845 (2.316e-09% change) linmin: converged after 4 iterations. iteration 790: trace = 2.429159855878486 (1.16744e-09% change) linmin: converged after 6 iterations. iteration 791: trace = 2.429159855854222 (9.9887e-10% change) linmin: converged after 4 iterations. iteration 792: trace = 2.429159855829516 (1.01704e-09% change) linmin: converged after 15 iterations. iteration 793: trace = 2.429159855821952 (3.11372e-10% change) linmin: converged after 15 iterations. iteration 794: trace = 2.429159855807795 (5.82817e-10% change) linmin: converged after 5 iterations. iteration 795: trace = 2.42915985578569 (9.09966e-10% change) linmin: converged after 25 iterations. iteration 796: trace = 2.42915985577738 (3.42104e-10% change) large trace change predicted (1.07094e-09%) linmin: converged after 16 iterations. iteration 797: trace = 2.429159855751367 (1.07084e-09% change) linmin: converged after 4 iterations. iteration 798: trace = 2.42915985573058 (8.55743e-10% change) linmin: converged after 16 iterations. iteration 799: trace = 2.429159855714111 (6.77991e-10% change) large trace change predicted (2.15748e-09%) linmin: converged after 16 iterations. iteration 800: trace = 2.429159855661696 (2.15772e-09% change) linmin: converged after 19 iterations. iteration 801: trace = 2.429159855624209 (1.5432e-09% change) linmin: converged after 6 iterations. iteration 802: trace = 2.429159855605723 (7.61026e-10% change) large trace change predicted (1.77823e-09%) linmin: converged after 4 iterations. iteration 803: trace = 2.429159855562526 (1.77823e-09% change) linmin: converged after 24 iterations. iteration 804: trace = 2.429159855534095 (1.17042e-09% change) linmin: converged after 6 iterations. iteration 805: trace = 2.429159855512275 (8.98266e-10% change) large trace change predicted (3.05571e-09%) linmin: converged after 22 iterations. iteration 806: trace = 2.429159855438048 (3.05564e-09% change) linmin: converged after 17 iterations. iteration 807: trace = 2.42915985540259 (1.45969e-09% change) linmin: converged after 3 iterations. iteration 808: trace = 2.429159855367566 (1.44181e-09% change) linmin: converged after 4 iterations. iteration 809: trace = 2.429159855322313 (1.86291e-09% change) linmin: converged after 6 iterations. iteration 810: trace = 2.429159855291077 (1.28587e-09% change) linmin: converged after 13 iterations. iteration 811: trace = 2.429159855278996 (4.97333e-10% change) linmin: converged after 3 iterations. iteration 812: trace = 2.429159855256762 (9.15305e-10% change) linmin: converged after 18 iterations. iteration 813: trace = 2.42915985523806 (7.69875e-10% change) linmin: converged after 9 iterations. iteration 814: trace = 2.429159855224551 (5.56108e-10% change) linmin: converged after 13 iterations. iteration 815: trace = 2.429159855203754 (8.56164e-10% change) linmin: converged after 4 iterations. iteration 816: trace = 2.429159855200197 (1.46417e-10% change) large trace change predicted (5.14569e-10%) linmin: converged after 4 iterations. iteration 817: trace = 2.429159855187692 (5.14791e-10% change) linmin: converged after 4 iterations. iteration 818: trace = 2.429159855171314 (6.74225e-10% change) linmin: converged after 15 iterations. iteration 819: trace = 2.429159855164816 (2.67496e-10% change) large trace change predicted (7.95636e-10%) linmin: converged after 12 iterations. iteration 820: trace = 2.429159855145489 (7.95633e-10% change) linmin: converged after 4 iterations. iteration 821: trace = 2.429159855112638 (1.35234e-09% change) linmin: converged after 6 iterations. iteration 822: trace = 2.429159855100644 (4.93749e-10% change) large trace change predicted (1.91275e-09%) linmin: converged after 5 iterations. iteration 823: trace = 2.42915985505418 (1.91279e-09% change) linmin: converged after 25 iterations. iteration 824: trace = 2.429159855017095 (1.52666e-09% change) linmin: converged after 6 iterations. iteration 825: trace = 2.429159854997339 (8.13293e-10% change) large trace change predicted (1.63686e-09%) linmin: converged after 4 iterations. iteration 826: trace = 2.429159854957575 (1.63692e-09% change) linmin: converged after 4 iterations. iteration 827: trace = 2.42915985491432 (1.78068e-09% change) linmin: converged after 4 iterations. iteration 828: trace = 2.429159854907358 (2.86601e-10% change) large trace change predicted (1.79346e-09%) linmin: converged after 4 iterations. iteration 829: trace = 2.42915985486379 (1.79353e-09% change) linmin: converged after 18 iterations. iteration 830: trace = 2.429159854846151 (7.26108e-10% change) linmin: converged after 3 iterations. iteration 831: trace = 2.429159854836618 (3.92469e-10% change) large trace change predicted (1.09824e-09%) linmin: converged after 5 iterations. iteration 832: trace = 2.429159854809941 (1.09819e-09% change) linmin: converged after 4 iterations. iteration 833: trace = 2.429159854791 (7.79747e-10% change) linmin: converged after 15 iterations. iteration 834: trace = 2.429159854773403 (7.24408e-10% change) linmin: converged after 5 iterations. iteration 835: trace = 2.429159854767259 (2.52926e-10% change) large trace change predicted (8.75339e-10%) linmin: converged after 5 iterations. iteration 836: trace = 2.429159854745992 (8.75451e-10% change) linmin: converged after 12 iterations. iteration 837: trace = 2.429159854741384 (1.89726e-10% change) linmin: converged after 12 iterations. iteration 838: trace = 2.429159854734171 (2.96911e-10% change) large trace change predicted (8.58242e-10%) linmin: converged after 5 iterations. iteration 839: trace = 2.42915985471332 (8.58358e-10% change) resetting CG direction... linmin: converged after 10 iterations. iteration 840: trace = 2.429159854701076 (5.0406e-10% change) linmin: converged after 3 iterations. iteration 841: trace = 2.429159854691718 (3.8523e-10% change) linmin: converged after 14 iterations. iteration 842: trace = 2.429159854683122 (3.53859e-10% change) linmin: converged after 4 iterations. iteration 843: trace = 2.429159854676287 (2.8139e-10% change) large trace change predicted (6.23336e-10%) linmin: converged after 4 iterations. iteration 844: trace = 2.429159854661141 (6.23512e-10% change) linmin: converged after 17 iterations. iteration 845: trace = 2.429159854645709 (6.35285e-10% change) linmin: converged after 12 iterations. iteration 846: trace = 2.429159854639871 (2.40312e-10% change) large trace change predicted (7.04149e-10%) linmin: converged after 8 iterations. iteration 847: trace = 2.429159854622764 (7.04225e-10% change) linmin: converged after 17 iterations. iteration 848: trace = 2.429159854607093 (6.45121e-10% change) linmin: converged after 4 iterations. iteration 849: trace = 2.429159854597993 (3.74626e-10% change) linmin: converged after 13 iterations. iteration 850: trace = 2.42915985458078 (7.08595e-10% change) linmin: converged after 17 iterations. iteration 851: trace = 2.429159854558398 (9.21411e-10% change) linmin: converged after 4 iterations. iteration 852: trace = 2.429159854548534 (4.06034e-10% change) large trace change predicted (1.13783e-09%) linmin: converged after 5 iterations. iteration 853: trace = 2.429159854520895 (1.13781e-09% change) linmin: converged after 7 iterations. iteration 854: trace = 2.429159854512265 (3.55285e-10% change) large trace change predicted (1.17134e-09%) linmin: converged after 5 iterations. iteration 855: trace = 2.429159854483814 (1.17123e-09% change) linmin: converged after 3 iterations. iteration 856: trace = 2.429159854463911 (8.19308e-10% change) linmin: converged after 4 iterations. iteration 857: trace = 2.429159854456307 (3.13054e-10% change) large trace change predicted (1.03806e-09%) linmin: converged after 6 iterations. iteration 858: trace = 2.429159854431086 (1.03825e-09% change) linmin: converged after 3 iterations. iteration 859: trace = 2.429159854414688 (6.75066e-10% change) linmin: converged after 5 iterations. iteration 860: trace = 2.42915985440996 (1.94626e-10% change) linmin: converged after 4 iterations. iteration 861: trace = 2.429159854403379 (2.70897e-10% change) linmin: converged after 3 iterations. iteration 862: trace = 2.42915985439579 (3.12432e-10% change) linmin: converged after 3 iterations. iteration 863: trace = 2.429159854393068 (1.12066e-10% change) linmin: converged after 19 iterations. iteration 864: trace = 2.429159854388425 (1.91134e-10% change) linmin: converged after 19 iterations. iteration 865: trace = 2.429159854379216 (3.79105e-10% change) linmin: converged after 6 iterations. iteration 866: trace = 2.429159854377398 (7.48266e-11% change) Finished solving for bands 1 to 10 after 866 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 elapsed time for k point: 7.2785632610321045 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.433380540443908 (3.19205% change) linmin: converged after 4 iterations. iteration 2: trace = 2.422814270845926 (0.435167% change) linmin: converged after 4 iterations. iteration 3: trace = 2.410436633345728 (0.512187% change) linmin: converged after 3 iterations. iteration 4: trace = 2.404737571830875 (0.236713% change) linmin: converged after 4 iterations. iteration 5: trace = 2.402921500695339 (0.0755491% change) linmin: converged after 4 iterations. iteration 6: trace = 2.401560398915169 (0.0566597% change) linmin: converged after 4 iterations. iteration 7: trace = 2.401273649453677 (0.0119408% change) large trace change predicted (0.0255602%) linmin: converged after 4 iterations. iteration 8: trace = 2.400660459304371 (0.0255393% change) linmin: converged after 3 iterations. iteration 9: trace = 2.400394246180625 (0.0110898% change) linmin: converged after 4 iterations. iteration 10: trace = 2.400303559085161 (0.00377808% change) linmin: converged after 4 iterations. iteration 11: trace = 2.400130188695215 (0.00722311% change) linmin: converged after 3 iterations. iteration 12: trace = 2.400008428418248 (0.0050732% change) linmin: converged after 4 iterations. iteration 13: trace = 2.399912618969685 (0.00399213% change) large trace change predicted (0.0102643%) linmin: converged after 4 iterations. iteration 14: trace = 2.399666162208103 (0.0102699% change) linmin: converged after 4 iterations. iteration 15: trace = 2.399556898464543 (0.00455339% change) linmin: converged after 4 iterations. iteration 16: trace = 2.399371920601187 (0.00770913% change) linmin: converged after 3 iterations. iteration 17: trace = 2.399289107657486 (0.0034515% change) large trace change predicted (0.00782311%) linmin: converged after 4 iterations. iteration 18: trace = 2.399101380466638 (0.00782459% change) linmin: converged after 4 iterations. iteration 19: trace = 2.398879607343093 (0.00924444% change) linmin: converged after 6 iterations. iteration 20: trace = 2.398649900044041 (0.00957607% change) large trace change predicted (0.0239448%) linmin: converged after 4 iterations. iteration 21: trace = 2.398075312221482 (0.0239575% change) linmin: converged after 3 iterations. iteration 22: trace = 2.397887143624137 (0.00784696% change) linmin: converged after 4 iterations. iteration 23: trace = 2.397522325941974 (0.0152153% change) linmin: converged after 5 iterations. iteration 24: trace = 2.397281858636066 (0.0100303% change) linmin: converged after 4 iterations. iteration 25: trace = 2.396981285049889 (0.0125389% change) linmin: converged after 4 iterations. iteration 26: trace = 2.396715640950408 (0.0110831% change) linmin: converged after 4 iterations. iteration 27: trace = 2.396618634307997 (0.00404756% change) large trace change predicted (0.00900769%) linmin: converged after 4 iterations. iteration 28: trace = 2.39640287096897 (0.00900323% change) linmin: converged after 5 iterations. iteration 29: trace = 2.396349203684576 (0.00223952% change) linmin: converged after 4 iterations. iteration 30: trace = 2.396256460549653 (0.00387026% change) linmin: converged after 3 iterations. iteration 31: trace = 2.396207672473087 (0.00203603% change) linmin: converged after 4 iterations. iteration 32: trace = 2.396167671844039 (0.00166934% change) large trace change predicted (0.00396794%) linmin: converged after 4 iterations. iteration 33: trace = 2.396072600306302 (0.00396773% change) linmin: converged after 10 iterations. iteration 34: trace = 2.396038797047905 (0.00141079% change) large trace change predicted (0.00652598%) linmin: converged after 3 iterations. iteration 35: trace = 2.395882486755531 (0.00652391% change) linmin: converged after 4 iterations. iteration 36: trace = 2.39583268550148 (0.00207864% change) large trace change predicted (0.00897502%) linmin: converged after 19 iterations. iteration 37: trace = 2.395617670293436 (0.00897495% change) linmin: converged after 4 iterations. iteration 38: trace = 2.395533925149891 (0.00349583% change) large trace change predicted (0.00705092%) linmin: converged after 4 iterations. iteration 39: trace = 2.395364976008042 (0.00705292% change) linmin: converged after 4 iterations. iteration 40: trace = 2.395255848588221 (0.00455588% change) linmin: converged after 3 iterations. iteration 41: trace = 2.395086682673956 (0.00706279% change) linmin: converged after 3 iterations. iteration 42: trace = 2.395028276850285 (0.0024386% change) large trace change predicted (0.00633155%) linmin: converged after 4 iterations. iteration 43: trace = 2.394876576935001 (0.00633415% change) linmin: converged after 5 iterations. iteration 44: trace = 2.394823829384971 (0.00220254% change) large trace change predicted (0.00784733%) linmin: converged after 4 iterations. iteration 45: trace = 2.394635887865348 (0.00784813% change) linmin: converged after 4 iterations. iteration 46: trace = 2.394551761799004 (0.00351317% change) large trace change predicted (0.0073079%) linmin: converged after 4 iterations. iteration 47: trace = 2.39437664010452 (0.00731361% change) linmin: converged after 3 iterations. iteration 48: trace = 2.394320470662205 (0.00234592% change) large trace change predicted (0.0069281%) linmin: converged after 4 iterations. iteration 49: trace = 2.394154559956638 (0.00692958% change) linmin: converged after 4 iterations. iteration 50: trace = 2.394120839362857 (0.00140847% change) linmin: converged after 4 iterations. iteration 51: trace = 2.394082460171509 (0.00160307% change) linmin: converged after 5 iterations. iteration 52: trace = 2.394061914459259 (0.000858191% change) linmin: converged after 3 iterations. iteration 53: trace = 2.394035856508216 (0.00108845% change) linmin: converged after 4 iterations. iteration 54: trace = 2.394025508527441 (0.000432241% change) large trace change predicted (0.00106382%) linmin: converged after 4 iterations. iteration 55: trace = 2.394000031388523 (0.0010642% change) linmin: converged after 15 iterations. iteration 56: trace = 2.393990078074366 (0.000415762% change) large trace change predicted (0.00147078%) linmin: converged after 7 iterations. iteration 57: trace = 2.393954870434198 (0.00147068% change) linmin: converged after 4 iterations. iteration 58: trace = 2.393941142087391 (0.000573461% change) large trace change predicted (0.00230683%) linmin: converged after 4 iterations. iteration 59: trace = 2.393885915757343 (0.00230695% change) linmin: converged after 5 iterations. iteration 60: trace = 2.393856958966908 (0.00120962% change) large trace change predicted (0.00352012%) linmin: converged after 4 iterations. iteration 61: trace = 2.393772751502206 (0.00351771% change) linmin: converged after 5 iterations. iteration 62: trace = 2.393670096484641 (0.00428851% change) linmin: converged after 4 iterations. iteration 63: trace = 2.393605449449459 (0.00270079% change) linmin: converged after 2 iterations. iteration 64: trace = 2.39348721716155 (0.00493963% change) linmin: converged after 12 iterations. iteration 65: trace = 2.393448255782342 (0.00162782% change) linmin: converged after 3 iterations. iteration 66: trace = 2.393405376638453 (0.00179154% change) linmin: converged after 4 iterations. iteration 67: trace = 2.393387851887911 (0.000732213% change) linmin: converged after 4 iterations. iteration 68: trace = 2.393359848955133 (0.00117002% change) linmin: converged after 4 iterations. iteration 69: trace = 2.39334836002617 (0.000480035% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.393343745289685 (0.000192815% change) linmin: converged after 5 iterations. iteration 71: trace = 2.393336290163514 (0.000311495% change) linmin: converged after 5 iterations. iteration 72: trace = 2.393333528458225 (0.000115392% change) linmin: converged after 5 iterations. iteration 73: trace = 2.393329051569193 (0.000187057% change) large trace change predicted (0.000413346%) linmin: converged after 4 iterations. iteration 74: trace = 2.393319158534369 (0.00041336% change) linmin: converged after 4 iterations. iteration 75: trace = 2.393315853870198 (0.000138079% change) large trace change predicted (0.000436214%) linmin: converged after 2 iterations. iteration 76: trace = 2.39330541376668 (0.00043622% change) linmin: converged after 4 iterations. iteration 77: trace = 2.393296326460743 (0.000379698% change) linmin: converged after 4 iterations. iteration 78: trace = 2.393291292967413 (0.000210317% change) large trace change predicted (0.000432557%) linmin: converged after 4 iterations. iteration 79: trace = 2.393280939562352 (0.000432602% change) linmin: converged after 4 iterations. iteration 80: trace = 2.39327663525763 (0.00017985% change) large trace change predicted (0.000406519%) linmin: converged after 4 iterations. iteration 81: trace = 2.393266901750644 (0.000406703% change) linmin: converged after 4 iterations. iteration 82: trace = 2.393256954513477 (0.000415635% change) large trace change predicted (0.000838335%) linmin: converged after 3 iterations. iteration 83: trace = 2.393236893839753 (0.00083822% change) linmin: converged after 3 iterations. iteration 84: trace = 2.393229151551698 (0.000323507% change) large trace change predicted (0.000990682%) linmin: converged after 4 iterations. iteration 85: trace = 2.393205436576264 (0.000990924% change) linmin: converged after 4 iterations. iteration 86: trace = 2.393198578307199 (0.000286573% change) large trace change predicted (0.000615433%) linmin: converged after 3 iterations. iteration 87: trace = 2.393183852797637 (0.000615309% change) linmin: converged after 4 iterations. iteration 88: trace = 2.393179757428099 (0.000171127% change) linmin: converged after 4 iterations. iteration 89: trace = 2.393172467192238 (0.000304626% change) linmin: converged after 4 iterations. iteration 90: trace = 2.393169671714642 (0.000116811% change) linmin: converged after 3 iterations. iteration 91: trace = 2.393166883827487 (0.000116494% change) linmin: converged after 4 iterations. iteration 92: trace = 2.393163551325879 (0.000139251% change) linmin: converged after 4 iterations. iteration 93: trace = 2.393162792558882 (3.17056e-05% change) large trace change predicted (8.2246e-05%) linmin: converged after 2 iterations. iteration 94: trace = 2.39316082390683 (8.22616e-05% change) linmin: converged after 5 iterations. iteration 95: trace = 2.393159318219231 (6.29163e-05% change) linmin: converged after 4 iterations. iteration 96: trace = 2.393158376036829 (3.93698e-05% change) large trace change predicted (9.19929e-05%) linmin: converged after 3 iterations. iteration 97: trace = 2.393156174692149 (9.1985e-05% change) linmin: converged after 4 iterations. iteration 98: trace = 2.39315509903598 (4.49472e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 2.393153692442706 (5.87757e-05% change) large trace change predicted (0.00011818%) linmin: converged after 4 iterations. iteration 100: trace = 2.393150863866867 (0.000118195% change) linmin: converged after 8 iterations. iteration 101: trace = 2.393149740538012 (4.69393e-05% change) linmin: converged after 3 iterations. iteration 102: trace = 2.393148415427696 (5.5371e-05% change) large trace change predicted (0.000131314%) linmin: converged after 5 iterations. iteration 103: trace = 2.393145273280542 (0.000131298% change) linmin: converged after 2 iterations. iteration 104: trace = 2.393143669401702 (6.70197e-05% change) linmin: converged after 5 iterations. iteration 105: trace = 2.393142533348935 (4.74712e-05% change) large trace change predicted (0.000112145%) linmin: converged after 4 iterations. iteration 106: trace = 2.393139849250136 (0.000112158% change) linmin: converged after 4 iterations. iteration 107: trace = 2.393137817393968 (8.49034e-05% change) linmin: converged after 12 iterations. iteration 108: trace = 2.393136704130331 (4.6519e-05% change) large trace change predicted (0.000101756%) linmin: converged after 3 iterations. iteration 109: trace = 2.393134269347164 (0.00010174% change) linmin: converged after 3 iterations. iteration 110: trace = 2.393131325463725 (0.000123014% change) linmin: converged after 2 iterations. iteration 111: trace = 2.393130135487137 (4.97247e-05% change) linmin: converged after 5 iterations. iteration 112: trace = 2.393128824267314 (5.4791e-05% change) large trace change predicted (0.000127429%) linmin: converged after 2 iterations. iteration 113: trace = 2.393125774190403 (0.000127452% change) linmin: converged after 4 iterations. iteration 114: trace = 2.393123385982424 (9.97946e-05% change) linmin: converged after 4 iterations. iteration 115: trace = 2.393122031517405 (5.65982e-05% change) large trace change predicted (0.000116378%) linmin: converged after 5 iterations. iteration 116: trace = 2.393119246533655 (0.000116375% change) linmin: converged after 3 iterations. iteration 117: trace = 2.39311473425312 (0.000188552% change) linmin: converged after 5 iterations. iteration 118: trace = 2.393112592624688 (8.94913e-05% change) linmin: converged after 4 iterations. iteration 119: trace = 2.393111107995308 (6.20376e-05% change) large trace change predicted (0.000135552%) linmin: converged after 4 iterations. iteration 120: trace = 2.393107863849913 (0.000135562% change) linmin: converged after 4 iterations. iteration 121: trace = 2.39310461183116 (0.000135891% change) linmin: converged after 5 iterations. iteration 122: trace = 2.393103201879602 (5.89173e-05% change) linmin: converged after 4 iterations. iteration 123: trace = 2.393101406094368 (7.50401e-05% change) linmin: converged after 3 iterations. iteration 124: trace = 2.393098182873616 (0.000134688% change) linmin: converged after 5 iterations. iteration 125: trace = 2.393096476832181 (7.12901e-05% change) linmin: converged after 3 iterations. iteration 126: trace = 2.393095499942862 (4.08212e-05% change) large trace change predicted (8.82179e-05%) linmin: converged after 2 iterations. iteration 127: trace = 2.393093388798312 (8.82182e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 2.393091334430655 (8.58457e-05% change) linmin: converged after 5 iterations. iteration 129: trace = 2.393090633976008 (2.92699e-05% change) linmin: converged after 6 iterations. iteration 130: trace = 2.393089820989904 (3.39722e-05% change) linmin: converged after 4 iterations. iteration 131: trace = 2.393088521909926 (5.42846e-05% change) linmin: converged after 3 iterations. iteration 132: trace = 2.393088028506677 (2.06178e-05% change) linmin: converged after 4 iterations. iteration 133: trace = 2.393087763775035 (1.10623e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 2.393087259231091 (2.10834e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 2.393086937049219 (1.3463e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 2.393086725461289 (8.84163e-06% change) large trace change predicted (2.47207e-05%) linmin: converged after 9 iterations. iteration 137: trace = 2.393086133884916 (2.47202e-05% change) linmin: converged after 4 iterations. iteration 138: trace = 2.39308566554791 (1.95704e-05% change) linmin: converged after 3 iterations. iteration 139: trace = 2.393085449601296 (9.02377e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.39308502884997 (1.7582e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 2.393084536958866 (2.05547e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.393083820482782 (2.99394e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.393083526739307 (1.22747e-05% change) large trace change predicted (4.71917e-05%) linmin: converged after 2 iterations. iteration 144: trace = 2.393082397382467 (4.71925e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.39308066676745 (7.23174e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.393079816571708 (3.55273e-05% change) large trace change predicted (0.000101402%) linmin: converged after 2 iterations. iteration 147: trace = 2.393077389834342 (0.000101407% change) linmin: converged after 3 iterations. iteration 148: trace = 2.393076080789317 (5.47013e-05% change) linmin: converged after 2 iterations. iteration 149: trace = 2.393074908838823 (4.89726e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 2.393073055168203 (7.74598e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.393072214325346 (3.51365e-05% change) linmin: converged after 3 iterations. iteration 152: trace = 2.393070903220508 (5.47875e-05% change) linmin: converged after 4 iterations. iteration 153: trace = 2.393070066007435 (3.49849e-05% change) linmin: converged after 3 iterations. iteration 154: trace = 2.393069538738395 (2.20332e-05% change) linmin: converged after 4 iterations. iteration 155: trace = 2.393068663668274 (3.65669e-05% change) linmin: converged after 4 iterations. iteration 156: trace = 2.393068316374694 (1.45125e-05% change) linmin: converged after 2 iterations. iteration 157: trace = 2.393067753825754 (2.35074e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 2.39306703832884 (2.98987e-05% change) linmin: converged after 3 iterations. iteration 159: trace = 2.393066739158407 (1.25015e-05% change) large trace change predicted (3.14955e-05%) linmin: converged after 2 iterations. iteration 160: trace = 2.393065985438088 (3.1496e-05% change) linmin: converged after 2 iterations. iteration 161: trace = 2.393065805975977 (7.49925e-06% change) large trace change predicted (3.2449e-05%) linmin: converged after 3 iterations. iteration 162: trace = 2.393065029487567 (3.24474e-05% change) linmin: converged after 2 iterations. iteration 163: trace = 2.393064669039104 (1.50622e-05% change) linmin: converged after 2 iterations. iteration 164: trace = 2.393064330504958 (1.41465e-05% change) large trace change predicted (4.74953e-05%) linmin: converged after 4 iterations. iteration 165: trace = 2.393063193941383 (4.74941e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.393062780381473 (1.72816e-05% change) large trace change predicted (0.000101911%) linmin: converged after 5 iterations. iteration 167: trace = 2.39306034154255 (0.000101913% change) linmin: converged after 2 iterations. iteration 168: trace = 2.393059051116956 (5.39237e-05% change) linmin: converged after 3 iterations. iteration 169: trace = 2.393057311660742 (7.26876e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.393055656564893 (6.91624e-05% change) linmin: converged after 4 iterations. iteration 171: trace = 2.39305490407619 (3.14447e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.393053649332267 (5.24327e-05% change) linmin: converged after 12 iterations. iteration 173: trace = 2.393053130453571 (2.16827e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 2.393052444950696 (2.86455e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.39305210922459 (1.40292e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 2.393051628308182 (2.00964e-05% change) linmin: converged after 2 iterations. iteration 177: trace = 2.393051361702711 (1.11408e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.393051191533071 (7.11099e-06% change) large trace change predicted (1.64433e-05%) linmin: converged after 2 iterations. iteration 179: trace = 2.393050798027882 (1.64437e-05% change) linmin: converged after 6 iterations. iteration 180: trace = 2.393050730610346 (2.81722e-06% change) large trace change predicted (1.09261e-05%) linmin: converged after 2 iterations. iteration 181: trace = 2.393050469140827 (1.09262e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 2.393050352370547 (4.87956e-06% change) linmin: converged after 30 iterations. iteration 183: trace = 2.393050240136758 (4.68999e-06% change) linmin: converged after 2 iterations. iteration 184: trace = 2.39305012344129 (4.87643e-06% change) linmin: converged after 3 iterations. iteration 185: trace = 2.393050007224261 (4.85644e-06% change) large trace change predicted (3.59006e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.393049148137522 (3.58992e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.393048897864501 (1.04583e-05% change) large trace change predicted (5.16567e-05%) linmin: converged after 10 iterations. iteration 188: trace = 2.393047661810293 (5.16519e-05% change) linmin: converged after 2 iterations. iteration 189: trace = 2.393047288582124 (1.55964e-05% change) large trace change predicted (4.74302e-05%) linmin: converged after 2 iterations. iteration 190: trace = 2.393046153552176 (4.74303e-05% change) linmin: converged after 3 iterations. iteration 191: trace = 2.393045660119894 (2.06194e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.393044848532964 (3.39144e-05% change) linmin: converged after 2 iterations. iteration 193: trace = 2.393044152710887 (2.90769e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.393043747296282 (1.69414e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.393043452226482 (1.23303e-05% change) linmin: converged after 2 iterations. iteration 196: trace = 2.393043367892586 (3.52413e-06% change) linmin: converged after 3 iterations. iteration 197: trace = 2.393043233774954 (5.60448e-06% change) linmin: converged after 3 iterations. iteration 198: trace = 2.393043202141304 (1.3219e-06% change) linmin: converged after 3 iterations. iteration 199: trace = 2.393043140861097 (2.56076e-06% change) linmin: converged after 3 iterations. iteration 200: trace = 2.393043111103555 (1.2435e-06% change) linmin: converged after 2 iterations. iteration 201: trace = 2.393043071055111 (1.67354e-06% change) large trace change predicted (3.98465e-06%) linmin: converged after 2 iterations. iteration 202: trace = 2.39304297570062 (3.98465e-06% change) linmin: converged after 4 iterations. iteration 203: trace = 2.393042910833788 (2.71064e-06% change) large trace change predicted (5.69781e-06%) linmin: converged after 2 iterations. iteration 204: trace = 2.393042774477892 (5.69801e-06% change) linmin: converged after 4 iterations. iteration 205: trace = 2.393042679468776 (3.97022e-06% change) linmin: converged after 2 iterations. iteration 206: trace = 2.393042568613512 (4.6324e-06% change) linmin: converged after 3 iterations. iteration 207: trace = 2.393042508364706 (2.51767e-06% change) large trace change predicted (5.53465e-06%) linmin: converged after 18 iterations. iteration 208: trace = 2.393042375921082 (5.53453e-06% change) linmin: converged after 3 iterations. iteration 209: trace = 2.393042310229137 (2.74512e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.393042263551757 (1.95055e-06% change) linmin: converged after 2 iterations. iteration 211: trace = 2.393042191343329 (3.01743e-06% change) linmin: converged after 3 iterations. iteration 212: trace = 2.393042159208187 (1.34286e-06% change) linmin: converged after 2 iterations. iteration 213: trace = 2.39304209725361 (2.58895e-06% change) linmin: converged after 2 iterations. iteration 214: trace = 2.393042008034098 (3.72829e-06% change) linmin: converged after 3 iterations. iteration 215: trace = 2.393041988174821 (8.29876e-07% change) large trace change predicted (2.7594e-06%) linmin: converged after 2 iterations. iteration 216: trace = 2.393041922139514 (2.75947e-06% change) linmin: converged after 2 iterations. iteration 217: trace = 2.39304191065354 (4.79974e-07% change) large trace change predicted (1.05679e-06%) linmin: converged after 2 iterations. iteration 218: trace = 2.393041885363711 (1.05681e-06% change) linmin: converged after 10 iterations. iteration 219: trace = 2.393041870454308 (6.23031e-07% change) linmin: converged after 2 iterations. iteration 220: trace = 2.393041860270376 (4.25564e-07% change) large trace change predicted (1.07954e-06%) linmin: converged after 2 iterations. iteration 221: trace = 2.393041834436323 (1.07955e-06% change) linmin: converged after 4 iterations. iteration 222: trace = 2.393041824340318 (4.2189e-07% change) large trace change predicted (2.20794e-06%) linmin: converged after 2 iterations. iteration 223: trace = 2.393041771502983 (2.20796e-06% change) linmin: converged after 11 iterations. iteration 224: trace = 2.393041731067234 (1.68972e-06% change) linmin: converged after 5 iterations. iteration 225: trace = 2.393041677725967 (2.22902e-06% change) linmin: converged after 2 iterations. iteration 226: trace = 2.393041595792564 (3.42382e-06% change) linmin: converged after 5 iterations. iteration 227: trace = 2.393041565391169 (1.27041e-06% change) large trace change predicted (2.87587e-06%) linmin: converged after 2 iterations. iteration 228: trace = 2.393041496569008 (2.87593e-06% change) linmin: converged after 2 iterations. iteration 229: trace = 2.393041460433195 (1.51004e-06% change) linmin: converged after 4 iterations. iteration 230: trace = 2.393041391788444 (2.86851e-06% change) linmin: converged after 2 iterations. iteration 231: trace = 2.393041352107085 (1.6582e-06% change) linmin: converged after 25 iterations. iteration 232: trace = 2.393041313737028 (1.6034e-06% change) linmin: converged after 18 iterations. iteration 233: trace = 2.393041296804725 (7.07564e-07% change) linmin: converged after 3 iterations. iteration 234: trace = 2.393041285423392 (4.75601e-07% change) linmin: converged after 2 iterations. iteration 235: trace = 2.393041270302679 (6.31862e-07% change) linmin: converged after 9 iterations. iteration 236: trace = 2.393041264402567 (2.46553e-07% change) large trace change predicted (8.41609e-07%) linmin: converged after 12 iterations. iteration 237: trace = 2.393041244262636 (8.41604e-07% change) linmin: converged after 13 iterations. iteration 238: trace = 2.393041234996021 (3.87232e-07% change) linmin: converged after 2 iterations. iteration 239: trace = 2.39304122302502 (5.00242e-07% change) linmin: converged after 9 iterations. iteration 240: trace = 2.393041213605773 (3.9361e-07% change) linmin: converged after 2 iterations. iteration 241: trace = 2.393041206373835 (3.02207e-07% change) linmin: converged after 2 iterations. iteration 242: trace = 2.393041200244062 (2.5615e-07% change) linmin: converged after 2 iterations. iteration 243: trace = 2.393041188949209 (4.71987e-07% change) linmin: converged after 2 iterations. iteration 244: trace = 2.39304118225587 (2.797e-07% change) large trace change predicted (8.07156e-07%) linmin: converged after 3 iterations. iteration 245: trace = 2.393041162939943 (8.07171e-07% change) linmin: converged after 4 iterations. iteration 246: trace = 2.393041142348072 (8.6049e-07% change) large trace change predicted (1.79366e-06%) linmin: converged after 2 iterations. iteration 247: trace = 2.393041099424753 (1.79367e-06% change) linmin: converged after 2 iterations. iteration 248: trace = 2.393041058235112 (1.72123e-06% change) linmin: converged after 7 iterations. iteration 249: trace = 2.393040993189666 (2.71811e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.393040943073716 (2.09424e-06% change) large trace change predicted (5.70412e-06%) linmin: converged after 3 iterations. iteration 251: trace = 2.393040806572129 (5.70411e-06% change) linmin: converged after 2 iterations. iteration 252: trace = 2.393040766142772 (1.68946e-06% change) large trace change predicted (3.48826e-06%) linmin: converged after 4 iterations. iteration 253: trace = 2.39304068266847 (3.48821e-06% change) linmin: converged after 5 iterations. iteration 254: trace = 2.393040662878805 (8.26967e-07% change) large trace change predicted (1.7113e-06%) linmin: converged after 12 iterations. iteration 255: trace = 2.393040621927048 (1.71129e-06% change) linmin: converged after 19 iterations. iteration 256: trace = 2.39304061301991 (3.7221e-07% change) linmin: converged after 2 iterations. iteration 257: trace = 2.393040595884254 (7.16062e-07% change) linmin: converged after 3 iterations. iteration 258: trace = 2.393040590075302 (2.42744e-07% change) large trace change predicted (5.30346e-07%) linmin: converged after 6 iterations. iteration 259: trace = 2.393040577383956 (5.30344e-07% change) linmin: converged after 12 iterations. iteration 260: trace = 2.393040571405063 (2.49845e-07% change) large trace change predicted (5.10073e-07%) linmin: converged after 13 iterations. iteration 261: trace = 2.393040559198907 (5.10069e-07% change) linmin: converged after 3 iterations. iteration 262: trace = 2.39304054768731 (4.81045e-07% change) linmin: converged after 2 iterations. iteration 263: trace = 2.393040530831366 (7.04373e-07% change) linmin: converged after 3 iterations. iteration 264: trace = 2.393040516593679 (5.94962e-07% change) linmin: converged after 2 iterations. iteration 265: trace = 2.393040506125241 (4.37453e-07% change) large trace change predicted (1.35114e-06%) linmin: converged after 11 iterations. iteration 266: trace = 2.393040473792318 (1.35112e-06% change) linmin: converged after 4 iterations. iteration 267: trace = 2.393040464223768 (3.99849e-07% change) large trace change predicted (1.79378e-06%) linmin: converged after 13 iterations. iteration 268: trace = 2.393040421298389 (1.79376e-06% change) linmin: converged after 23 iterations. iteration 269: trace = 2.393040410675259 (4.43918e-07% change) large trace change predicted (1.67652e-06%) linmin: converged after 28 iterations. iteration 270: trace = 2.393040370556017 (1.6765e-06% change) linmin: converged after 6 iterations. iteration 271: trace = 2.393040347284755 (9.72456e-07% change) linmin: converged after 17 iterations. iteration 272: trace = 2.393040318102536 (1.21946e-06% change) large trace change predicted (2.59327e-06%) linmin: converged after 4 iterations. iteration 273: trace = 2.393040256045588 (2.59323e-06% change) linmin: converged after 2 iterations. iteration 274: trace = 2.393040229145719 (1.12409e-06% change) large trace change predicted (2.33597e-06%) linmin: converged after 4 iterations. iteration 275: trace = 2.393040173245435 (2.33595e-06% change) linmin: converged after 2 iterations. iteration 276: trace = 2.393040137066297 (1.51185e-06% change) linmin: converged after 2 iterations. iteration 277: trace = 2.393040092276517 (1.87167e-06% change) linmin: converged after 9 iterations. iteration 278: trace = 2.393040079006626 (5.5452e-07% change) large trace change predicted (1.17469e-06%) linmin: converged after 3 iterations. iteration 279: trace = 2.393040050895917 (1.17469e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 280: trace = 2.393040043584102 (3.05545e-07% change) linmin: converged after 6 iterations. iteration 281: trace = 2.393040035910132 (3.20679e-07% change) linmin: converged after 2 iterations. iteration 282: trace = 2.39304002554926 (4.32959e-07% change) linmin: converged after 4 iterations. iteration 283: trace = 2.393040020108439 (2.2736e-07% change) large trace change predicted (7.27753e-07%) linmin: converged after 3 iterations. iteration 284: trace = 2.393040002693031 (7.27753e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 2.393039984439687 (7.62768e-07% change) linmin: converged after 2 iterations. iteration 286: trace = 2.393039961230745 (9.69852e-07% change) linmin: converged after 2 iterations. iteration 287: trace = 2.393039933065368 (1.17697e-06% change) linmin: converged after 20 iterations. iteration 288: trace = 2.393039925243141 (3.26874e-07% change) large trace change predicted (7.62461e-07%) linmin: converged after 2 iterations. iteration 289: trace = 2.393039906997088 (7.62463e-07% change) linmin: converged after 3 iterations. iteration 290: trace = 2.393039896953985 (4.1968e-07% change) linmin: converged after 3 iterations. iteration 291: trace = 2.393039885902561 (4.61815e-07% change) linmin: converged after 2 iterations. iteration 292: trace = 2.393039866000343 (8.31671e-07% change) linmin: converged after 2 iterations. iteration 293: trace = 2.393039858238609 (3.24346e-07% change) large trace change predicted (8.20026e-07%) linmin: converged after 4 iterations. iteration 294: trace = 2.393039838615123 (8.20023e-07% change) linmin: converged after 3 iterations. iteration 295: trace = 2.393039834963349 (1.526e-07% change) large trace change predicted (3.34975e-07%) linmin: converged after 2 iterations. iteration 296: trace = 2.393039826947258 (3.34975e-07% change) linmin: converged after 23 iterations. iteration 297: trace = 2.393039821890845 (2.11297e-07% change) linmin: converged after 3 iterations. iteration 298: trace = 2.393039819754568 (8.92704e-08% change) large trace change predicted (1.78855e-07%) linmin: converged after 2 iterations. iteration 299: trace = 2.393039815474498 (1.78855e-07% change) linmin: converged after 6 iterations. iteration 300: trace = 2.393039814588436 (3.70266e-08% change) large trace change predicted (1.68951e-07%) linmin: converged after 3 iterations. iteration 301: trace = 2.393039810545384 (1.6895e-07% change) linmin: converged after 4 iterations. iteration 302: trace = 2.393039808764906 (7.44023e-08% change) large trace change predicted (1.59874e-07%) linmin: converged after 4 iterations. iteration 303: trace = 2.393039804939095 (1.59872e-07% change) linmin: converged after 9 iterations. iteration 304: trace = 2.393039797307099 (3.18925e-07% change) linmin: converged after 16 iterations. iteration 305: trace = 2.393039794197577 (1.2994e-07% change) large trace change predicted (5.82893e-07%) linmin: converged after 18 iterations. iteration 306: trace = 2.393039780248832 (5.82888e-07% change) linmin: converged after 2 iterations. iteration 307: trace = 2.393039764786827 (6.46124e-07% change) linmin: converged after 4 iterations. iteration 308: trace = 2.393039750017864 (6.17163e-07% change) linmin: converged after 10 iterations. iteration 309: trace = 2.393039725756483 (1.01383e-06% change) linmin: converged after 22 iterations. iteration 310: trace = 2.393039718096837 (3.2008e-07% change) linmin: converged after 3 iterations. iteration 311: trace = 2.393039706517889 (4.83859e-07% change) linmin: converged after 2 iterations. iteration 312: trace = 2.393039699042665 (3.12374e-07% change) linmin: converged after 4 iterations. iteration 313: trace = 2.393039696594512 (1.02303e-07% change) large trace change predicted (2.13049e-07%) linmin: converged after 3 iterations. iteration 314: trace = 2.393039691496138 (2.1305e-07% change) linmin: converged after 4 iterations. iteration 315: trace = 2.393039689697536 (7.51597e-08% change) linmin: converged after 2 iterations. iteration 316: trace = 2.393039687681912 (8.42286e-08% change) linmin: converged after 2 iterations. iteration 317: trace = 2.39303968498274 (1.12793e-07% change) linmin: converged after 3 iterations. iteration 318: trace = 2.393039683739993 (5.19317e-08% change) linmin: converged after 4 iterations. iteration 319: trace = 2.393039681923726 (7.58979e-08% change) linmin: converged after 4 iterations. iteration 320: trace = 2.39303967940794 (1.05129e-07% change) linmin: converged after 3 iterations. iteration 321: trace = 2.393039677769733 (6.84572e-08% change) linmin: converged after 2 iterations. iteration 322: trace = 2.393039674736269 (1.26762e-07% change) linmin: converged after 3 iterations. iteration 323: trace = 2.393039673671995 (4.44737e-08% change) linmin: converged after 2 iterations. iteration 324: trace = 2.393039671689107 (8.28606e-08% change) linmin: converged after 2 iterations. iteration 325: trace = 2.393039669297133 (9.99555e-08% change) linmin: converged after 4 iterations. iteration 326: trace = 2.393039666406318 (1.20801e-07% change) large trace change predicted (5.24281e-07%) linmin: converged after 3 iterations. iteration 327: trace = 2.393039653860141 (5.24278e-07% change) linmin: converged after 3 iterations. iteration 328: trace = 2.3930396501451 (1.55244e-07% change) large trace change predicted (5.14658e-07%) linmin: converged after 6 iterations. iteration 329: trace = 2.393039637829149 (5.14657e-07% change) linmin: converged after 3 iterations. iteration 330: trace = 2.393039628784646 (3.7795e-07% change) linmin: converged after 3 iterations. iteration 331: trace = 2.393039624315906 (1.86739e-07% change) linmin: converged after 6 iterations. iteration 332: trace = 2.393039617113109 (3.00989e-07% change) linmin: converged after 3 iterations. iteration 333: trace = 2.393039613074678 (1.68757e-07% change) linmin: converged after 4 iterations. iteration 334: trace = 2.393039608390692 (1.95734e-07% change) linmin: converged after 2 iterations. iteration 335: trace = 2.393039604260139 (1.72607e-07% change) linmin: converged after 4 iterations. iteration 336: trace = 2.393039602837053 (5.94677e-08% change) linmin: converged after 2 iterations. iteration 337: trace = 2.393039600217194 (1.09478e-07% change) linmin: converged after 3 iterations. iteration 338: trace = 2.393039599260687 (3.99704e-08% change) linmin: converged after 6 iterations. iteration 339: trace = 2.393039597648655 (6.73634e-08% change) linmin: converged after 4 iterations. iteration 340: trace = 2.393039594774919 (1.20087e-07% change) linmin: converged after 6 iterations. iteration 341: trace = 2.393039593562678 (5.06569e-08% change) large trace change predicted (1.431e-07%) linmin: converged after 3 iterations. iteration 342: trace = 2.393039590138249 (1.431e-07% change) linmin: converged after 10 iterations. iteration 343: trace = 2.393039588886906 (5.2291e-08% change) large trace change predicted (2.05461e-07%) linmin: converged after 9 iterations. iteration 344: trace = 2.393039583970162 (2.0546e-07% change) linmin: converged after 3 iterations. iteration 345: trace = 2.39303958056545 (1.42276e-07% change) linmin: converged after 12 iterations. iteration 346: trace = 2.393039578776684 (7.47487e-08% change) large trace change predicted (3.7855e-07%) linmin: converged after 6 iterations. iteration 347: trace = 2.393039569717871 (3.78548e-07% change) linmin: converged after 3 iterations. iteration 348: trace = 2.393039561714139 (3.34459e-07% change) large trace change predicted (9.27901e-07%) linmin: converged after 9 iterations. iteration 349: trace = 2.393039539509207 (9.27897e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.393039530334008 (3.83412e-07% change) linmin: converged after 6 iterations. iteration 351: trace = 2.393039524007444 (2.64374e-07% change) linmin: converged after 4 iterations. iteration 352: trace = 2.393039518614078 (2.25377e-07% change) linmin: converged after 2 iterations. iteration 353: trace = 2.393039516682342 (8.07231e-08% change) linmin: converged after 31 iterations. iteration 354: trace = 2.393039515497306 (4.95201e-08% change) linmin: converged after 28 iterations. iteration 355: trace = 2.393039513467057 (8.48397e-08% change) linmin: converged after 3 iterations. iteration 356: trace = 2.393039512971261 (2.07183e-08% change) large trace change predicted (5.51477e-08%) linmin: converged after 26 iterations. iteration 357: trace = 2.393039511651555 (5.51477e-08% change) linmin: converged after 3 iterations. iteration 358: trace = 2.393039510858201 (3.31525e-08% change) linmin: converged after 3 iterations. iteration 359: trace = 2.393039510361972 (2.07364e-08% change) linmin: converged after 2 iterations. iteration 360: trace = 2.393039509532697 (3.46536e-08% change) linmin: converged after 19 iterations. iteration 361: trace = 2.39303950870204 (3.47114e-08% change) linmin: converged after 10 iterations. iteration 362: trace = 2.393039508083983 (2.58273e-08% change) linmin: converged after 2 iterations. iteration 363: trace = 2.393039507035475 (4.38149e-08% change) linmin: converged after 2 iterations. iteration 364: trace = 2.39303950644532 (2.46613e-08% change) large trace change predicted (7.14075e-08%) linmin: converged after 2 iterations. iteration 365: trace = 2.393039504736507 (7.14076e-08% change) linmin: converged after 10 iterations. iteration 366: trace = 2.393039504078556 (2.74944e-08% change) large trace change predicted (6.69719e-08%) linmin: converged after 2 iterations. iteration 367: trace = 2.393039502475891 (6.6972e-08% change) linmin: converged after 30 iterations. iteration 368: trace = 2.393039500282299 (9.16655e-08% change) linmin: converged after 4 iterations. iteration 369: trace = 2.393039498972043 (5.47528e-08% change) large trace change predicted (1.45165e-07%) linmin: converged after 2 iterations. iteration 370: trace = 2.393039495498195 (1.45165e-07% change) linmin: converged after 4 iterations. iteration 371: trace = 2.393039494758401 (3.09144e-08% change) large trace change predicted (1.01346e-07%) linmin: converged after 30 iterations. iteration 372: trace = 2.393039492333147 (1.01346e-07% change) linmin: converged after 4 iterations. iteration 373: trace = 2.393039491329326 (4.19475e-08% change) linmin: converged after 4 iterations. iteration 374: trace = 2.393039490730068 (2.50417e-08% change) linmin: converged after 23 iterations. iteration 375: trace = 2.393039489641627 (4.54837e-08% change) linmin: converged after 17 iterations. iteration 376: trace = 2.393039489380868 (1.08966e-08% change) large trace change predicted (2.79e-08%) linmin: converged after 18 iterations. iteration 377: trace = 2.393039488713208 (2.79001e-08% change) linmin: converged after 12 iterations. iteration 378: trace = 2.393039488473531 (1.00156e-08% change) large trace change predicted (2.1849e-08%) linmin: converged after 21 iterations. iteration 379: trace = 2.393039487950677 (2.1849e-08% change) linmin: converged after 2 iterations. iteration 380: trace = 2.393039487541194 (1.71114e-08% change) linmin: converged after 4 iterations. iteration 381: trace = 2.393039487209535 (1.38593e-08% change) large trace change predicted (2.79317e-08%) linmin: converged after 2 iterations. iteration 382: trace = 2.393039486541117 (2.79318e-08% change) linmin: converged after 4 iterations. iteration 383: trace = 2.393039486304621 (9.88267e-09% change) large trace change predicted (3.49113e-08%) linmin: converged after 3 iterations. iteration 384: trace = 2.39303948546918 (3.49113e-08% change) linmin: converged after 14 iterations. iteration 385: trace = 2.393039485103423 (1.52842e-08% change) linmin: converged after 2 iterations. iteration 386: trace = 2.393039484425752 (2.83184e-08% change) linmin: converged after 3 iterations. iteration 387: trace = 2.393039483733097 (2.89446e-08% change) linmin: converged after 3 iterations. iteration 388: trace = 2.393039483181924 (2.30324e-08% change) large trace change predicted (8.23067e-08%) linmin: converged after 4 iterations. iteration 389: trace = 2.393039481212295 (8.23066e-08% change) linmin: converged after 3 iterations. iteration 390: trace = 2.393039480078674 (4.73716e-08% change) large trace change predicted (1.55825e-07%) linmin: converged after 3 iterations. iteration 391: trace = 2.39303947634973 (1.55825e-07% change) linmin: converged after 4 iterations. iteration 392: trace = 2.393039474223412 (8.88543e-08% change) linmin: converged after 6 iterations. iteration 393: trace = 2.393039472437169 (7.46433e-08% change) linmin: converged after 24 iterations. iteration 394: trace = 2.393039471181656 (5.24652e-08% change) linmin: converged after 10 iterations. iteration 395: trace = 2.393039470786062 (1.6531e-08% change) large trace change predicted (3.57493e-08%) linmin: converged after 25 iterations. iteration 396: trace = 2.393039469930568 (3.57493e-08% change) linmin: converged after 4 iterations. iteration 397: trace = 2.393039469546422 (1.60527e-08% change) linmin: converged after 4 iterations. iteration 398: trace = 2.393039469046133 (2.0906e-08% change) linmin: converged after 19 iterations. iteration 399: trace = 2.393039468798518 (1.03473e-08% change) linmin: converged after 4 iterations. iteration 400: trace = 2.393039468478962 (1.33536e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.393039468069249 (1.7121e-08% change) linmin: converged after 4 iterations. iteration 402: trace = 2.393039467854572 (8.9709e-09% change) large trace change predicted (5.10206e-08%) linmin: converged after 24 iterations. iteration 403: trace = 2.393039466633632 (5.10205e-08% change) linmin: converged after 4 iterations. iteration 404: trace = 2.3930394658094 (3.44429e-08% change) linmin: converged after 17 iterations. iteration 405: trace = 2.393039464623075 (4.9574e-08% change) linmin: converged after 4 iterations. iteration 406: trace = 2.393039462972266 (6.89838e-08% change) linmin: converged after 4 iterations. iteration 407: trace = 2.393039462314115 (2.75027e-08% change) large trace change predicted (6.32846e-08%) linmin: converged after 2 iterations. iteration 408: trace = 2.393039460799692 (6.32845e-08% change) linmin: converged after 2 iterations. iteration 409: trace = 2.393039459906495 (3.73248e-08% change) linmin: converged after 10 iterations. iteration 410: trace = 2.393039459215806 (2.88624e-08% change) linmin: converged after 3 iterations. iteration 411: trace = 2.393039458207819 (4.21216e-08% change) linmin: converged after 17 iterations. iteration 412: trace = 2.393039457948444 (1.08387e-08% change) large trace change predicted (3.21758e-08%) linmin: converged after 3 iterations. iteration 413: trace = 2.393039457178463 (3.21759e-08% change) linmin: converged after 3 iterations. iteration 414: trace = 2.393039456890699 (1.2025e-08% change) linmin: converged after 4 iterations. iteration 415: trace = 2.393039456468653 (1.76364e-08% change) linmin: converged after 2 iterations. iteration 416: trace = 2.393039455915877 (2.30993e-08% change) linmin: converged after 2 iterations. iteration 417: trace = 2.393039455793205 (5.12622e-09% change) large trace change predicted (2.19269e-08%) linmin: converged after 21 iterations. iteration 418: trace = 2.393039455268485 (2.19269e-08% change) linmin: converged after 27 iterations. iteration 419: trace = 2.393039455163028 (4.40686e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.393039455081534 (3.40544e-09% change) large trace change predicted (1.28231e-08%) linmin: converged after 2 iterations. iteration 421: trace = 2.393039454774672 (1.28231e-08% change) linmin: converged after 4 iterations. iteration 422: trace = 2.393039454618046 (6.54506e-09% change) large trace change predicted (1.46806e-08%) linmin: converged after 3 iterations. iteration 423: trace = 2.393039454266736 (1.46805e-08% change) linmin: converged after 4 iterations. iteration 424: trace = 2.393039453848227 (1.74886e-08% change) linmin: converged after 27 iterations. iteration 425: trace = 2.393039453604065 (1.0203e-08% change) large trace change predicted (2.14839e-08%) linmin: converged after 2 iterations. iteration 426: trace = 2.393039453089949 (2.14838e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.393039452823184 (1.11475e-08% change) linmin: converged after 2 iterations. iteration 428: trace = 2.39303945231017 (2.14378e-08% change) linmin: converged after 3 iterations. iteration 429: trace = 2.393039451925552 (1.60724e-08% change) linmin: converged after 23 iterations. iteration 430: trace = 2.393039451541071 (1.60666e-08% change) linmin: converged after 3 iterations. iteration 431: trace = 2.39303945081216 (3.04596e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.393039450415854 (1.65608e-08% change) linmin: converged after 2 iterations. iteration 433: trace = 2.393039449685276 (3.05293e-08% change) linmin: converged after 3 iterations. iteration 434: trace = 2.39303944944451 (1.00611e-08% change) large trace change predicted (2.67535e-08%) linmin: converged after 4 iterations. iteration 435: trace = 2.393039448804291 (2.67534e-08% change) linmin: converged after 2 iterations. iteration 436: trace = 2.393039448613129 (7.98826e-09% change) large trace change predicted (2.03646e-08%) linmin: converged after 2 iterations. iteration 437: trace = 2.393039448125796 (2.03646e-08% change) linmin: converged after 3 iterations. iteration 438: trace = 2.393039448053937 (3.00285e-09% change) large trace change predicted (9.93031e-09%) linmin: converged after 2 iterations. iteration 439: trace = 2.393039447816299 (9.93036e-09% change) linmin: converged after 3 iterations. iteration 440: trace = 2.393039447748134 (2.84845e-09% change) linmin: converged after 3 iterations. iteration 441: trace = 2.393039447623873 (5.19264e-09% change) linmin: converged after 3 iterations. iteration 442: trace = 2.393039447561049 (2.62526e-09% change) large trace change predicted (6.60229e-09%) linmin: converged after 2 iterations. iteration 443: trace = 2.393039447403053 (6.60231e-09% change) linmin: converged after 2 iterations. iteration 444: trace = 2.39303944732493 (3.26461e-09% change) large trace change predicted (1.01264e-08%) linmin: converged after 10 iterations. iteration 445: trace = 2.393039447082602 (1.01264e-08% change) linmin: converged after 3 iterations. iteration 446: trace = 2.393039446943546 (5.81083e-09% change) large trace change predicted (1.73585e-08%) linmin: converged after 3 iterations. iteration 447: trace = 2.393039446528151 (1.73585e-08% change) linmin: converged after 8 iterations. iteration 448: trace = 2.393039446015525 (2.14215e-08% change) linmin: converged after 2 iterations. iteration 449: trace = 2.393039445571531 (1.85536e-08% change) linmin: converged after 4 iterations. iteration 450: trace = 2.393039444758272 (3.39843e-08% change) linmin: converged after 29 iterations. iteration 451: trace = 2.393039444416251 (1.42923e-08% change) linmin: converged after 3 iterations. iteration 452: trace = 2.393039443980618 (1.82042e-08% change) linmin: converged after 4 iterations. iteration 453: trace = 2.393039443780794 (8.35021e-09% change) linmin: converged after 2 iterations. iteration 454: trace = 2.393039443549136 (9.6805e-09% change) linmin: converged after 25 iterations. iteration 455: trace = 2.393039443436664 (4.69994e-09% change) linmin: converged after 4 iterations. iteration 456: trace = 2.393039443270879 (6.92783e-09% change) linmin: converged after 6 iterations. iteration 457: trace = 2.393039443188931 (3.4244e-09% change) linmin: converged after 3 iterations. iteration 458: trace = 2.393039443044277 (6.0448e-09% change) linmin: converged after 3 iterations. iteration 459: trace = 2.39303944298991 (2.27189e-09% change) large trace change predicted (8.28366e-09%) linmin: converged after 2 iterations. iteration 460: trace = 2.393039442791682 (8.28349e-09% change) linmin: converged after 14 iterations. iteration 461: trace = 2.393039442749653 (1.7563e-09% change) large trace change predicted (5.97115e-09%) linmin: converged after 3 iterations. iteration 462: trace = 2.393039442606761 (5.97117e-09% change) linmin: converged after 25 iterations. iteration 463: trace = 2.39303944256638 (1.68742e-09% change) large trace change predicted (4.09607e-09%) linmin: converged after 2 iterations. iteration 464: trace = 2.393039442468357 (4.09619e-09% change) linmin: converged after 8 iterations. iteration 465: trace = 2.393039442419999 (2.02077e-09% change) linmin: converged after 15 iterations. iteration 466: trace = 2.393039442347808 (3.01671e-09% change) linmin: converged after 4 iterations. iteration 467: trace = 2.393039442273152 (3.11971e-09% change) linmin: converged after 20 iterations. iteration 468: trace = 2.393039442142555 (5.45738e-09% change) linmin: converged after 3 iterations. iteration 469: trace = 2.393039442076984 (2.74006e-09% change) large trace change predicted (1.16409e-08%) linmin: converged after 2 iterations. iteration 470: trace = 2.393039441798411 (1.1641e-08% change) linmin: converged after 16 iterations. iteration 471: trace = 2.393039441675736 (5.1263e-09% change) large trace change predicted (1.43582e-08%) linmin: converged after 8 iterations. iteration 472: trace = 2.39303944133214 (1.43582e-08% change) linmin: converged after 4 iterations. iteration 473: trace = 2.393039441097609 (9.80053e-09% change) linmin: converged after 3 iterations. iteration 474: trace = 2.393039440722298 (1.56835e-08% change) linmin: converged after 4 iterations. iteration 475: trace = 2.393039440436632 (1.19374e-08% change) linmin: converged after 3 iterations. iteration 476: trace = 2.393039440165509 (1.13296e-08% change) linmin: converged after 19 iterations. iteration 477: trace = 2.393039439929586 (9.85873e-09% change) linmin: converged after 20 iterations. iteration 478: trace = 2.393039439818141 (4.65701e-09% change) large trace change predicted (9.52447e-09%) linmin: converged after 3 iterations. iteration 479: trace = 2.393039439590219 (9.52438e-09% change) linmin: converged after 6 iterations. iteration 480: trace = 2.393039439529571 (2.53435e-09% change) linmin: converged after 4 iterations. iteration 481: trace = 2.393039439425098 (4.36574e-09% change) linmin: converged after 4 iterations. iteration 482: trace = 2.393039439369573 (2.32027e-09% change) linmin: converged after 6 iterations. iteration 483: trace = 2.393039439287506 (3.4294e-09% change) linmin: converged after 3 iterations. iteration 484: trace = 2.393039439238953 (2.02893e-09% change) linmin: converged after 3 iterations. iteration 485: trace = 2.393039439143538 (3.98716e-09% change) linmin: converged after 5 iterations. iteration 486: trace = 2.393039439105284 (1.59855e-09% change) large trace change predicted (4.7465e-09%) linmin: converged after 3 iterations. iteration 487: trace = 2.393039438991697 (4.74657e-09% change) linmin: converged after 3 iterations. iteration 488: trace = 2.393039438928778 (2.62927e-09% change) linmin: converged after 3 iterations. iteration 489: trace = 2.393039438831347 (4.07143e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.393039438770665 (2.53574e-09% change) linmin: converged after 2 iterations. iteration 491: trace = 2.393039438727107 (1.82022e-09% change) linmin: converged after 12 iterations. iteration 492: trace = 2.393039438645211 (3.42227e-09% change) linmin: converged after 4 iterations. iteration 493: trace = 2.393039438608041 (1.55325e-09% change) large trace change predicted (4.01501e-09%) linmin: converged after 2 iterations. iteration 494: trace = 2.39303943851196 (4.015e-09% change) linmin: converged after 4 iterations. iteration 495: trace = 2.393039438391947 (5.0151e-09% change) linmin: converged after 8 iterations. iteration 496: trace = 2.393039438354112 (1.58105e-09% change) large trace change predicted (5.35413e-09%) linmin: converged after 3 iterations. iteration 497: trace = 2.393039438225987 (5.35409e-09% change) linmin: converged after 15 iterations. iteration 498: trace = 2.393039438141694 (3.52239e-09% change) linmin: converged after 13 iterations. iteration 499: trace = 2.393039438094008 (1.99271e-09% change) large trace change predicted (4.68971e-09%) linmin: converged after 4 iterations. iteration 500: trace = 2.393039437981779 (4.68981e-09% change) linmin: converged after 19 iterations. iteration 501: trace = 2.393039437940803 (1.7123e-09% change) large trace change predicted (8.68295e-09%) linmin: converged after 4 iterations. iteration 502: trace = 2.393039437733017 (8.68294e-09% change) linmin: converged after 18 iterations. iteration 503: trace = 2.393039437666702 (2.77116e-09% change) large trace change predicted (1.17784e-08%) linmin: converged after 4 iterations. iteration 504: trace = 2.393039437384841 (1.17784e-08% change) linmin: converged after 4 iterations. iteration 505: trace = 2.393039437295321 (3.74083e-09% change) large trace change predicted (1.00383e-08%) linmin: converged after 2 iterations. iteration 506: trace = 2.3930394370551 (1.00383e-08% change) linmin: converged after 21 iterations. iteration 507: trace = 2.393039436967758 (3.6498e-09% change) linmin: converged after 4 iterations. iteration 508: trace = 2.393039436834583 (5.56511e-09% change) linmin: converged after 3 iterations. iteration 509: trace = 2.393039436771053 (2.6548e-09% change) linmin: converged after 12 iterations. iteration 510: trace = 2.393039436692701 (3.27416e-09% change) linmin: converged after 3 iterations. iteration 511: trace = 2.393039436663756 (1.20954e-09% change) linmin: converged after 6 iterations. iteration 512: trace = 2.393039436628705 (1.46471e-09% change) linmin: converged after 4 iterations. iteration 513: trace = 2.393039436596319 (1.35331e-09% change) linmin: converged after 8 iterations. iteration 514: trace = 2.393039436574894 (8.95308e-10% change) large trace change predicted (2.31083e-09%) linmin: converged after 8 iterations. iteration 515: trace = 2.393039436519594 (2.31088e-09% change) linmin: converged after 3 iterations. iteration 516: trace = 2.39303943649859 (8.77734e-10% change) large trace change predicted (3.82906e-09%) linmin: converged after 3 iterations. iteration 517: trace = 2.39303943640696 (3.82901e-09% change) linmin: converged after 2 iterations. iteration 518: trace = 2.39303943636861 (1.60255e-09% change) linmin: converged after 11 iterations. iteration 519: trace = 2.393039436322549 (1.92481e-09% change) linmin: converged after 2 iterations. iteration 520: trace = 2.393039436271038 (2.15251e-09% change) linmin: converged after 3 iterations. iteration 521: trace = 2.393039436244692 (1.10094e-09% change) large trace change predicted (3.17061e-09%) linmin: converged after 3 iterations. iteration 522: trace = 2.393039436168818 (3.17061e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.393039436097631 (2.97477e-09% change) linmin: converged after 4 iterations. iteration 524: trace = 2.393039435995211 (4.27989e-09% change) linmin: converged after 4 iterations. iteration 525: trace = 2.393039435818145 (7.39921e-09% change) linmin: converged after 3 iterations. iteration 526: trace = 2.393039435723086 (3.97233e-09% change) linmin: converged after 19 iterations. iteration 527: trace = 2.393039435536705 (7.78847e-09% change) linmin: converged after 6 iterations. iteration 528: trace = 2.393039435449276 (3.65346e-09% change) linmin: converged after 6 iterations. iteration 529: trace = 2.393039435338912 (4.61188e-09% change) linmin: converged after 2 iterations. iteration 530: trace = 2.393039435244189 (3.95829e-09% change) linmin: converged after 4 iterations. iteration 531: trace = 2.393039435199449 (1.86956e-09% change) linmin: converged after 2 iterations. iteration 532: trace = 2.393039435130634 (2.87564e-09% change) linmin: converged after 14 iterations. iteration 533: trace = 2.393039435113299 (7.24394e-10% change) linmin: converged after 3 iterations. iteration 534: trace = 2.393039435083929 (1.22732e-09% change) linmin: converged after 3 iterations. iteration 535: trace = 2.393039435061976 (9.17355e-10% change) linmin: converged after 3 iterations. iteration 536: trace = 2.393039435043413 (7.75705e-10% change) large trace change predicted (2.37715e-09%) linmin: converged after 3 iterations. iteration 537: trace = 2.393039434986528 (2.37709e-09% change) linmin: converged after 5 iterations. iteration 538: trace = 2.393039434959441 (1.13194e-09% change) large trace change predicted (4.77728e-09%) linmin: converged after 4 iterations. iteration 539: trace = 2.393039434845119 (4.77725e-09% change) linmin: converged after 3 iterations. iteration 540: trace = 2.393039434792144 (2.21371e-09% change) large trace change predicted (4.44573e-09%) linmin: converged after 4 iterations. iteration 541: trace = 2.393039434685755 (4.44579e-09% change) linmin: converged after 4 iterations. iteration 542: trace = 2.393039434547814 (5.76427e-09% change) linmin: converged after 27 iterations. iteration 543: trace = 2.393039434463725 (3.51387e-09% change) linmin: converged after 2 iterations. iteration 544: trace = 2.393039434327819 (5.67926e-09% change) linmin: converged after 2 iterations. iteration 545: trace = 2.393039434297494 (1.26718e-09% change) large trace change predicted (4.76578e-09%) linmin: converged after 2 iterations. iteration 546: trace = 2.393039434183446 (4.76584e-09% change) linmin: converged after 4 iterations. iteration 547: trace = 2.393039434155507 (1.16753e-09% change) linmin: converged after 3 iterations. iteration 548: trace = 2.393039434110598 (1.87663e-09% change) linmin: converged after 3 iterations. iteration 549: trace = 2.39303943405266 (2.42111e-09% change) linmin: converged after 7 iterations. iteration 550: trace = 2.393039434021908 (1.28505e-09% change) large trace change predicted (2.72009e-09%) linmin: converged after 3 iterations. iteration 551: trace = 2.393039433956814 (2.72016e-09% change) linmin: converged after 13 iterations. iteration 552: trace = 2.39303943394262 (5.93117e-10% change) large trace change predicted (1.4614e-09%) linmin: converged after 6 iterations. iteration 553: trace = 2.39303943390765 (1.46133e-09% change) linmin: converged after 4 iterations. iteration 554: trace = 2.393039433887136 (8.57228e-10% change) linmin: converged after 4 iterations. iteration 555: trace = 2.393039433871071 (6.71338e-10% change) large trace change predicted (2.49889e-09%) linmin: converged after 15 iterations. iteration 556: trace = 2.393039433811273 (2.49881e-09% change) linmin: converged after 5 iterations. iteration 557: trace = 2.39303943377127 (1.67163e-09% change) large trace change predicted (3.87363e-09%) linmin: converged after 3 iterations. iteration 558: trace = 2.393039433678571 (3.87372e-09% change) linmin: converged after 12 iterations. iteration 559: trace = 2.393039433633079 (1.90102e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.393039433591982 (1.71733e-09% change) linmin: converged after 4 iterations. iteration 561: trace = 2.393039433535898 (2.34363e-09% change) linmin: converged after 10 iterations. iteration 562: trace = 2.393039433476222 (2.49374e-09% change) linmin: converged after 3 iterations. iteration 563: trace = 2.393039433456065 (8.42308e-10% change) linmin: converged after 4 iterations. iteration 564: trace = 2.393039433422571 (1.39967e-09% change) linmin: converged after 2 iterations. iteration 565: trace = 2.393039433403372 (8.02261e-10% change) linmin: converged after 20 iterations. iteration 566: trace = 2.393039433378293 (1.048e-09% change) linmin: converged after 4 iterations. iteration 567: trace = 2.393039433347348 (1.29313e-09% change) linmin: converged after 3 iterations. iteration 568: trace = 2.39303943333379 (5.66562e-10% change) large trace change predicted (1.65308e-09%) linmin: converged after 3 iterations. iteration 569: trace = 2.393039433294231 (1.65311e-09% change) linmin: converged after 2 iterations. iteration 570: trace = 2.393039433267218 (1.1288e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.393039433251191 (6.69723e-10% change) large trace change predicted (2.59613e-09%) linmin: converged after 6 iterations. iteration 572: trace = 2.393039433189065 (2.59613e-09% change) linmin: converged after 10 iterations. iteration 573: trace = 2.393039433169208 (8.29763e-10% change) large trace change predicted (3.32246e-09%) linmin: converged after 11 iterations. iteration 574: trace = 2.3930394330897 (3.32247e-09% change) linmin: converged after 11 iterations. iteration 575: trace = 2.393039433039307 (2.10582e-09% change) linmin: converged after 3 iterations. iteration 576: trace = 2.393039433008009 (1.30788e-09% change) linmin: converged after 3 iterations. iteration 577: trace = 2.393039432966736 (1.72474e-09% change) linmin: converged after 2 iterations. iteration 578: trace = 2.393039432937859 (1.2067e-09% change) large trace change predicted (2.95829e-09%) linmin: converged after 2 iterations. iteration 579: trace = 2.393039432867064 (2.95837e-09% change) linmin: converged after 3 iterations. iteration 580: trace = 2.393039432836827 (1.26355e-09% change) linmin: converged after 2 iterations. iteration 581: trace = 2.393039432817371 (8.13006e-10% change) linmin: converged after 6 iterations. iteration 582: trace = 2.393039432800204 (7.1736e-10% change) linmin: converged after 13 iterations. iteration 583: trace = 2.393039432793716 (2.71126e-10% change) large trace change predicted (5.44685e-10%) linmin: converged after 2 iterations. iteration 584: trace = 2.393039432780685 (5.44571e-10% change) linmin: converged after 9 iterations. iteration 585: trace = 2.393039432773195 (3.12973e-10% change) linmin: converged after 3 iterations. iteration 586: trace = 2.393039432762138 (4.62064e-10% change) linmin: converged after 2 iterations. iteration 587: trace = 2.393039432742628 (8.15251e-10% change) linmin: converged after 2 iterations. iteration 588: trace = 2.393039432734777 (3.28097e-10% change) large trace change predicted (1.41391e-09%) linmin: converged after 6 iterations. iteration 589: trace = 2.393039432700941 (1.41392e-09% change) linmin: converged after 4 iterations. iteration 590: trace = 2.393039432674914 (1.08764e-09% change) linmin: converged after 4 iterations. iteration 591: trace = 2.39303943265161 (9.73788e-10% change) linmin: converged after 4 iterations. iteration 592: trace = 2.393039432614045 (1.5698e-09% change) linmin: converged after 4 iterations. iteration 593: trace = 2.393039432599276 (6.17131e-10% change) large trace change predicted (1.75499e-09%) linmin: converged after 9 iterations. iteration 594: trace = 2.393039432557276 (1.75512e-09% change) linmin: converged after 6 iterations. iteration 595: trace = 2.393039432545948 (4.73366e-10% change) large trace change predicted (1.15899e-09%) linmin: converged after 5 iterations. iteration 596: trace = 2.39303943251821 (1.15912e-09% change) linmin: converged after 2 iterations. iteration 597: trace = 2.393039432491335 (1.12303e-09% change) linmin: converged after 4 iterations. iteration 598: trace = 2.393039432480397 (4.57091e-10% change) large trace change predicted (1.52391e-09%) linmin: converged after 3 iterations. iteration 599: trace = 2.393039432443929 (1.52389e-09% change) linmin: converged after 13 iterations. iteration 600: trace = 2.393039432430085 (5.7855e-10% change) linmin: converged after 4 iterations. iteration 601: trace = 2.393039432414344 (6.57753e-10% change) linmin: converged after 3 iterations. iteration 602: trace = 2.393039432405177 (3.83065e-10% change) linmin: converged after 7 iterations. iteration 603: trace = 2.393039432401144 (1.6854e-10% change) linmin: converged after 10 iterations. iteration 604: trace = 2.393039432394298 (2.86083e-10% change) linmin: converged after 11 iterations. iteration 605: trace = 2.393039432388366 (2.47892e-10% change) linmin: converged after 2 iterations. iteration 606: trace = 2.393039432383648 (1.97155e-10% change) large trace change predicted (4.78428e-10%) linmin: converged after 6 iterations. iteration 607: trace = 2.393039432372197 (4.78525e-10% change) linmin: converged after 3 iterations. iteration 608: trace = 2.39303943236669 (2.30095e-10% change) large trace change predicted (5.68749e-10%) linmin: converged after 9 iterations. iteration 609: trace = 2.393039432353077 (5.68881e-10% change) large trace change predicted (1.18412e-09%) linmin: converged after 3 iterations. iteration 610: trace = 2.393039432324741 (1.18408e-09% change) linmin: converged after 4 iterations. iteration 611: trace = 2.393039432312935 (4.93371e-10% change) large trace change predicted (1.76798e-09%) linmin: converged after 4 iterations. iteration 612: trace = 2.393039432270628 (1.76792e-09% change) linmin: converged after 5 iterations. iteration 613: trace = 2.393039432244956 (1.07276e-09% change) linmin: converged after 2 iterations. iteration 614: trace = 2.393039432203985 (1.7121e-09% change) linmin: converged after 3 iterations. iteration 615: trace = 2.39303943218117 (9.53375e-10% change) linmin: converged after 3 iterations. iteration 616: trace = 2.393039432169938 (4.69376e-10% change) linmin: converged after 3 iterations. iteration 617: trace = 2.393039432158995 (4.57276e-10% change) linmin: converged after 10 iterations. iteration 618: trace = 2.393039432154797 (1.75443e-10% change) linmin: converged after 5 iterations. iteration 619: trace = 2.393039432148036 (2.8252e-10% change) linmin: converged after 4 iterations. iteration 620: trace = 2.393039432136146 (4.96841e-10% change) linmin: converged after 4 iterations. iteration 621: trace = 2.39303943213301 (1.31053e-10% change) large trace change predicted (5.35513e-10%) linmin: converged after 3 iterations. iteration 622: trace = 2.393039432120193 (5.35589e-10% change) linmin: converged after 4 iterations. iteration 623: trace = 2.393039432113679 (2.72239e-10% change) linmin: converged after 8 iterations. iteration 624: trace = 2.393039432106066 (3.18095e-10% change) linmin: converged after 5 iterations. iteration 625: trace = 2.393039432098135 (3.31456e-10% change) linmin: converged after 11 iterations. iteration 626: trace = 2.393039432094206 (1.6416e-10% change) large trace change predicted (1.14851e-09%) linmin: converged after 2 iterations. iteration 627: trace = 2.393039432066721 (1.14856e-09% change) linmin: converged after 4 iterations. iteration 628: trace = 2.393039432054615 (5.0586e-10% change) large trace change predicted (1.49987e-09%) linmin: converged after 2 iterations. iteration 629: trace = 2.393039432018724 (1.49982e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.393039431999159 (8.17552e-10% change) linmin: converged after 4 iterations. iteration 631: trace = 2.393039431990648 (3.55692e-10% change) large trace change predicted (9.79319e-10%) linmin: converged after 4 iterations. iteration 632: trace = 2.393039431967213 (9.79281e-10% change) linmin: converged after 4 iterations. iteration 633: trace = 2.393039431960509 (2.80126e-10% change) linmin: converged after 3 iterations. iteration 634: trace = 2.393039431950895 (4.01752e-10% change) linmin: converged after 3 iterations. iteration 635: trace = 2.393039431943192 (3.21918e-10% change) linmin: converged after 3 iterations. iteration 636: trace = 2.393039431940059 (1.30923e-10% change) large trace change predicted (2.92515e-10%) linmin: converged after 3 iterations. iteration 637: trace = 2.39303943193306 (2.92448e-10% change) linmin: converged after 6 iterations. iteration 638: trace = 2.393039431927997 (2.11574e-10% change) linmin: converged after 6 iterations. iteration 639: trace = 2.39303943192271 (2.20927e-10% change) linmin: converged after 4 iterations. iteration 640: trace = 2.393039431914639 (3.37283e-10% change) linmin: converged after 4 iterations. iteration 641: trace = 2.393039431913088 (6.48029e-11% change) Finished solving for bands 2 to 10 after 641 iterations. tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 .elapsed time for k point: 4.619410514831543 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2156485263339956 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.2658849785678317 at Vector3<0.0, 0.0, 0.0> to 0.3546302405484167 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.35621423559129134 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517839886 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.36899013666801306 at Vector3<0.0, 0.0, 0.0> to 0.48074846784433395 at Vector3<0.5, 0.5, 0.0> Band 5 range: 0.4779014824358745 at Vector3<0.5, 0.0, 0.0> to 0.5073352894296067 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.5065518587497806 at Vector3<0.0, 0.0, 0.0> to 0.5125343692392687 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.5090758744004433 at Vector3<0.5, 0.0, 0.0> to 0.6079200818300042 at Vector3<0.5, 0.5, 0.0> Band 8 range: 0.6150518764785363 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.63568078470799 at Vector3<0.0, 0.0, 0.0> Band 9 range: 0.6397097609337264 at Vector3<0.5, 0.0, 0.0> to 0.6489078359746278 at Vector3<0.5, 0.5, 0.0> Band 10 range: 0.6468898907439936 at Vector3<0.5, 0.0, 0.0> to 0.6600163340857906 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2156485263339956) to band 2 (0.2658849785678317), 20.86519493345664% Gap from band 2 (0.3546302405484167) to band 3 (0.35621423559129134), 0.4456657105859925% Gap from band 3 (0.36527833517839886) to band 4 (0.36899013666801306), 1.0110202553789074% Gap from band 7 (0.6079200818300042) to band 8 (0.6150518764785363), 1.1663055068565722% Gap from band 8 (0.63568078470799) to band 9 (0.6397097609337264), 0.6318027430114279% total elapsed time for run: 84.8075647354126 done /tmp/meepREy4kN/test_hermitian_eps-0: 84.81s /tmp/meepREy4kN/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 64. Solving for 9 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 4) Cell volume = 3.4641 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 0.25) Geometric objects: block, center = (0,0,1) size (1e+20,1e+20,2) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,1e+20,0.5) axes (1,0,0), (0,1,0), (0,0,1) cylinder, center = (0,0,0) radius 0.3, height 4, axis (0, 0, 1) Geometric object tree has depth 3 and 41 object nodes (vs. 3 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> elapsed time for initialization: 0.10626411437988281 solve_kpoint (-0.333333,0.333333,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9 Solving for bands 1 to 9... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 20.14068801126488 (196.16% change) linmin: converged after 13 iterations. iteration 2: trace = 3.299137341812085 (143.7% change) linmin: converged after 5 iterations. iteration 3: trace = 2.669410204363155 (21.1015% change) linmin: converged after 6 iterations. iteration 4: trace = 2.40241249385957 (10.5287% change) linmin: converged after 5 iterations. iteration 5: trace = 2.282088343951399 (5.13712% change) linmin: converged after 5 iterations. iteration 6: trace = 2.228076475135598 (2.39512% change) linmin: converged after 7 iterations. iteration 7: trace = 2.207088432445513 (0.946438% change) linmin: converged after 4 iterations. iteration 8: trace = 2.197424295920371 (0.438829% change) linmin: converged after 4 iterations. iteration 9: trace = 2.193156579988943 (0.194403% change) linmin: converged after 5 iterations. iteration 10: trace = 2.19061263941641 (0.116062% change) linmin: converged after 5 iterations. iteration 11: trace = 2.189324950475648 (0.0587994% change) linmin: converged after 4 iterations. iteration 12: trace = 2.188582973206251 (0.0338964% change) linmin: converged after 4 iterations. iteration 13: trace = 2.188220751661914 (0.0165519% change) linmin: converged after 4 iterations. iteration 14: trace = 2.188067093603424 (0.0070223% change) linmin: converged after 4 iterations. iteration 15: trace = 2.188000083848798 (0.00306256% change) linmin: converged after 4 iterations. iteration 16: trace = 2.187974779563759 (0.00115651% change) linmin: converged after 4 iterations. iteration 17: trace = 2.187966030722257 (0.000399861% change) linmin: converged after 4 iterations. iteration 18: trace = 2.187961616111335 (0.000201768% change) linmin: converged after 5 iterations. iteration 19: trace = 2.187959777341824 (8.40403e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 2.187958886064244 (4.07356e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 2.187958549134365 (1.53993e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 2.187958302488668 (1.12729e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 2.187958133390967 (7.72856e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 2.187958074545629 (2.68951e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 2.187958069786985 (2.17492e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 2.187958069734506 (2.39855e-09% change) linmin: converged after 7 iterations. iteration 27: trace = 2.187958069720248 (6.51655e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 2.187958069713324 (3.1647e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 2.18795806970928 (1.84804e-10% change) linmin: converged after 14 iterations. iteration 30: trace = 2.187958069706368 (1.33087e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 2.187958069704355 (9.20265e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 elapsed time for k point: 16.462647914886475 total elapsed time for run: 16.569007396697998 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 FOutputting fields to /tmp/meepREy4kN/test_hole_slab-0-h.k01.b09.z.zeven.h5... eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0 mean flops per iteration = 232048195.5483871 mean time per iteration = 0.5344841095709032 s /tmp/meepREy4kN/test_hole_slab-0: 16.60s /tmp/meepREy4kN/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015687942504882812 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 14.08603322828974 (195.946% change) linmin: converged after 8 iterations. iteration 2: trace = 4.946841082550758 (96.0359% change) linmin: converged after 6 iterations. iteration 3: trace = 4.482417469982445 (9.85069% change) linmin: converged after 5 iterations. iteration 4: trace = 4.426179454909694 (1.26256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.404732774789124 (0.485718% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393592673653451 (0.253232% change) linmin: converged after 5 iterations. iteration 7: trace = 4.388048069558351 (0.126277% change) linmin: converged after 5 iterations. iteration 8: trace = 4.386014285277234 (0.046359% change) linmin: converged after 4 iterations. iteration 9: trace = 4.385327350069832 (0.0156632% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385030799696019 (0.00676256% change) linmin: converged after 9 iterations. iteration 11: trace = 4.384928986166413 (0.00232187% change) linmin: converged after 3 iterations. iteration 12: trace = 4.384903198779061 (0.000588093% change) linmin: converged after 5 iterations. iteration 13: trace = 4.384897579818996 (0.000128143% change) linmin: converged after 3 iterations. iteration 14: trace = 4.384896578810423 (2.28286e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.384896296355217 (6.44155e-06% change) linmin: converged after 17 iterations. iteration 16: trace = 4.384896163448913 (3.031e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.384896108996883 (1.24181e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.384896055181308 (1.22729e-06% change) linmin: converged after 9 iterations. iteration 19: trace = 4.384895970966356 (1.92057e-06% change) linmin: converged after 7 iterations. iteration 20: trace = 4.384895907261345 (1.45283e-06% change) large trace change predicted (4.57064e-06%) linmin: converged after 6 iterations. iteration 21: trace = 4.3848957068431 (4.57065e-06% change) large trace change predicted (5.41039e-05%) linmin: converged after 4 iterations. iteration 22: trace = 4.384893338182164 (5.40187e-05% change) large trace change predicted (0.000283054%) linmin: converged after 9 iterations. iteration 23: trace = 4.384881228353985 (0.000276172% change) linmin: converged after 9 iterations. iteration 24: trace = 4.384874398294823 (0.000155764% change) linmin: converged after 6 iterations. iteration 25: trace = 4.384872500513711 (4.32802e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.384871395471816 (2.52012e-05% change) linmin: converged after 9 iterations. iteration 27: trace = 4.384870693946444 (1.59988e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.384870461991072 (5.2899e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 4.384870388776773 (1.6697e-06% change) linmin: converged after 8 iterations. iteration 30: trace = 4.384870368925833 (4.52714e-07% change) linmin: converged after 10 iterations. iteration 31: trace = 4.384870362403318 (1.4875e-07% change) linmin: converged after 6 iterations. iteration 32: trace = 4.384870359727655 (6.10204e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 4.384870359219449 (1.159e-08% change) linmin: converged after 18 iterations. iteration 34: trace = 4.384870359145734 (1.68113e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 4.384870359129951 (3.59941e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 4.384870359120915 (2.0608e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 4.38487035911561 (1.20966e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 4.384870359114471 (2.59878e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.10254549980163574 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.398721940930018 (0.785796% change) linmin: converged after 4 iterations. iteration 2: trace = 4.393117316903974 (0.127496% change) linmin: converged after 5 iterations. iteration 3: trace = 4.389343308629444 (0.0859442% change) linmin: converged after 3 iterations. iteration 4: trace = 4.386788236161571 (0.0582278% change) linmin: converged after 5 iterations. iteration 5: trace = 4.383878568871475 (0.06635% change) large trace change predicted (0.244095%) linmin: converged after 5 iterations. iteration 6: trace = 4.374047466163459 (0.224508% change) linmin: converged after 8 iterations. iteration 7: trace = 4.368118485130831 (0.135641% change) linmin: converged after 7 iterations. iteration 8: trace = 4.366002618092194 (0.0484506% change) linmin: converged after 4 iterations. iteration 9: trace = 4.36474279607383 (0.0288594% change) linmin: converged after 4 iterations. iteration 10: trace = 4.364161250576655 (0.0133246% change) linmin: converged after 3 iterations. iteration 11: trace = 4.363987460053582 (0.0039823% change) linmin: converged after 4 iterations. iteration 12: trace = 4.363951770436642 (0.000817825% change) linmin: converged after 8 iterations. iteration 13: trace = 4.363938583509695 (0.000302179% change) linmin: converged after 8 iterations. iteration 14: trace = 4.363930081725975 (0.000194819% change) linmin: converged after 4 iterations. iteration 15: trace = 4.363920378371304 (0.000222354% change) linmin: converged after 5 iterations. iteration 16: trace = 4.363910621596412 (0.000223578% change) linmin: converged after 6 iterations. iteration 17: trace = 4.363903924428309 (0.000153467% change) linmin: converged after 5 iterations. iteration 18: trace = 4.363900915380417 (6.89531e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 4.363900331095293 (1.33891e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 4.363900186219114 (3.31988e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 4.363900088964026 (2.22863e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 4.363900060699542 (6.47689e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 4.36390005530451 (1.23629e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 4.363900051912937 (7.77188e-08% change) linmin: converged after 22 iterations. iteration 25: trace = 4.363900047515015 (1.0078e-07% change) linmin: converged after 10 iterations. iteration 26: trace = 4.363900042904682 (1.05647e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 4.36390004038918 (5.76434e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.36390003927038 (2.56376e-08% change) linmin: converged after 9 iterations. iteration 29: trace = 4.363900038955538 (7.21468e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.363900038873569 (1.87834e-09% change) linmin: converged after 26 iterations. iteration 31: trace = 4.363900038847108 (6.06373e-10% change) linmin: converged after 19 iterations. iteration 32: trace = 4.363900038835858 (2.57789e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.36390003883082 (1.15462e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.363900038828961 (4.25985e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 elapsed time for k point: 0.11079072952270508 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.337244337609678 (0.916306% change) linmin: converged after 5 iterations. iteration 2: trace = 4.328998104322993 (0.190307% change) linmin: converged after 5 iterations. iteration 3: trace = 4.32639370164097 (0.0601799% change) linmin: converged after 4 iterations. iteration 4: trace = 4.326044500292335 (0.00807174% change) linmin: converged after 4 iterations. iteration 5: trace = 4.326009019266948 (0.000820176% change) linmin: converged after 5 iterations. iteration 6: trace = 4.325999490809005 (0.00022026% change) linmin: converged after 6 iterations. iteration 7: trace = 4.325995296299609 (9.69605e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.325994594651871 (1.62193e-05% change) linmin: converged after 21 iterations. iteration 9: trace = 4.325994488077121 (2.46359e-06% change) linmin: converged after 15 iterations. iteration 10: trace = 4.325994468151046 (4.60613e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.325994462562192 (1.29192e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.325994459723793 (6.56126e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.32599445837473 (3.1185e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.325994457749017 (1.4464e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.325994457604776 (3.33429e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.325994457594259 (2.4311e-10% change) linmin: converged after 15 iterations. iteration 17: trace = 4.325994457593159 (2.54382e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 elapsed time for k point: 0.05652260780334473 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.306001070929652 (0.788082% change) linmin: converged after 5 iterations. iteration 2: trace = 4.300360847934489 (0.131071% change) linmin: converged after 5 iterations. iteration 3: trace = 4.298518538322207 (0.04285% change) linmin: converged after 4 iterations. iteration 4: trace = 4.298157359198859 (0.00840276% change) linmin: converged after 4 iterations. iteration 5: trace = 4.29810142377206 (0.00130139% change) linmin: converged after 5 iterations. iteration 6: trace = 4.298085059916545 (0.000380724% change) linmin: converged after 2 iterations. iteration 7: trace = 4.298081361323795 (8.60521e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.298081030130989 (7.7056e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.298080990199845 (9.29046e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.298080980492031 (2.25864e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.298080977563763 (6.81297e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.298080976767695 (1.85215e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.298080976493845 (6.37143e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.298080976439338 (1.26818e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.298080976434354 (1.15949e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.298080976434065 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 elapsed time for k point: 0.053093671798706055 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295193771997795 (0.757652% change) linmin: converged after 5 iterations. iteration 2: trace = 4.289005422997731 (0.14418% change) linmin: converged after 5 iterations. iteration 3: trace = 4.286655525617624 (0.0548039% change) linmin: converged after 4 iterations. iteration 4: trace = 4.286149536707246 (0.0118045% change) linmin: converged after 4 iterations. iteration 5: trace = 4.286096391657205 (0.00123993% change) linmin: converged after 6 iterations. iteration 6: trace = 4.286089079043695 (0.000170613% change) linmin: converged after 4 iterations. iteration 7: trace = 4.286087354619918 (4.0233e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.286087144657689 (4.89869e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.286087124718897 (4.65198e-07% change) linmin: converged after 13 iterations. iteration 10: trace = 4.286087122345822 (5.53669e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.286087121648089 (1.6279e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.286087121456529 (4.46936e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.286087121427353 (6.80709e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.286087121422131 (1.21827e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 4.286087121421341 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 elapsed time for k point: 0.050023555755615234 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295769793792948 (0.789547% change) linmin: converged after 5 iterations. iteration 2: trace = 4.28778519878741 (0.186044% change) linmin: converged after 5 iterations. iteration 3: trace = 4.284595510942272 (0.0744178% change) linmin: converged after 4 iterations. iteration 4: trace = 4.28394415962977 (0.0152033% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283890904445597 (0.00124314% change) linmin: converged after 3 iterations. iteration 6: trace = 4.283887176226487 (8.70288e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.283886858681741 (7.41254e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.283886826915921 (7.41519e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28388682147316 (1.27052e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283886820456615 (2.37295e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283886820322503 (3.1306e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283886820305652 (3.93367e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.283886820302828 (6.59102e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 elapsed time for k point: 0.0436711311340332 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.289328030396198 (0.255282% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28802476019065 (0.0303886% change) linmin: converged after 4 iterations. iteration 3: trace = 4.287906729392985 (0.00275261% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28789198256394 (0.000343917% change) linmin: converged after 5 iterations. iteration 5: trace = 4.287890045876974 (4.51664e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.287889552037952 (1.15171e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.287889502750222 (1.14946e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.28788950034711 (5.60442e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.287889500025852 (7.49223e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.287889499903877 (2.84463e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.287889499875894 (6.52604e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.287889499871681 (9.82656e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 elapsed time for k point: 0.04042696952819824 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.30135680349205 (0.254655% change) linmin: converged after 4 iterations. iteration 2: trace = 4.300043563537508 (0.0305355% change) linmin: converged after 14 iterations. iteration 3: trace = 4.299922855277374 (0.00280718% change) linmin: converged after 5 iterations. iteration 4: trace = 4.299907791777737 (0.000350321% change) linmin: converged after 5 iterations. iteration 5: trace = 4.299905439718406 (5.47002e-05% change) linmin: converged after 5 iterations. iteration 6: trace = 4.299904830345856 (1.41718e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.299904776860712 (1.24387e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.29990477259056 (9.93081e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.299904771447066 (2.65935e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.299904771054305 (9.13419e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.299904770962037 (2.1458e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.29990477094445 (4.09005e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.299904770939916 (1.05448e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.29990477093923 (1.59463e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 elapsed time for k point: 0.046959638595581055 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.321382841090537 (0.254327% change) linmin: converged after 4 iterations. iteration 2: trace = 4.320030166755696 (0.0313068% change) linmin: converged after 4 iterations. iteration 3: trace = 4.319900410607536 (0.00300364% change) linmin: converged after 5 iterations. iteration 4: trace = 4.319883445006697 (0.000392732% change) linmin: converged after 4 iterations. iteration 5: trace = 4.319880164551647 (7.59385e-05% change) linmin: converged after 7 iterations. iteration 6: trace = 4.319879323285329 (1.94743e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.319879250560541 (1.68349e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.319879235729276 (3.43326e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.319879227958102 (1.79893e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.319879225421853 (5.87111e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.319879224813201 (1.40896e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.319879224663673 (3.4614e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.31987922462695 (8.50085e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.319879224622897 (9.3837e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 elapsed time for k point: 0.046839237213134766 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.349129535370816 (0.255944% change) linmin: converged after 4 iterations. iteration 2: trace = 4.347666951089962 (0.033635% change) linmin: converged after 4 iterations. iteration 3: trace = 4.347512401085769 (0.00355484% change) linmin: converged after 4 iterations. iteration 4: trace = 4.347489679971983 (0.000522625% change) linmin: converged after 5 iterations. iteration 5: trace = 4.347484415105871 (0.000121101% change) linmin: converged after 4 iterations. iteration 6: trace = 4.347482964576337 (3.33648e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.347482711409491 (5.8233e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.347482493192526 (5.01939e-06% change) linmin: converged after 12 iterations. iteration 9: trace = 4.347482344420546 (3.42203e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.347482298963948 (1.04558e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.347482289718709 (2.12657e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.347482287039397 (6.1629e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.347482286360999 (1.56044e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.347482286300156 (1.3995e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.347482286295715 (1.02149e-10% change) linmin: converged after 5 iterations. iteration 16: trace = 4.3474822862955 (4.94399e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 elapsed time for k point: 0.05317497253417969 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.383709611536421 (0.261984% change) linmin: converged after 5 iterations. iteration 2: trace = 4.382001036495846 (0.0389831% change) linmin: converged after 5 iterations. iteration 3: trace = 4.381788780260462 (0.00484394% change) linmin: converged after 4 iterations. iteration 4: trace = 4.381750715857315 (0.000868699% change) linmin: converged after 5 iterations. iteration 5: trace = 4.381738092896315 (0.000288081% change) linmin: converged after 6 iterations. iteration 6: trace = 4.381730455726061 (0.000174296% change) linmin: converged after 3 iterations. iteration 7: trace = 4.381717816255641 (0.000288459% change) large trace change predicted (0.00139713%) linmin: converged after 4 iterations. iteration 8: trace = 4.381656919176987 (0.00138981% change) large trace change predicted (0.0051514%) linmin: converged after 5 iterations. iteration 9: trace = 4.381441330733306 (0.00492037% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381282131279325 (0.00363356% change) linmin: converged after 4 iterations. iteration 11: trace = 4.381241296825334 (0.000932025% change) linmin: converged after 4 iterations. iteration 12: trace = 4.381221871387272 (0.000443378% change) linmin: converged after 3 iterations. iteration 13: trace = 4.381216164335712 (0.000130262% change) linmin: converged after 2 iterations. iteration 14: trace = 4.381215701244823 (1.05699e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.381215670929221 (6.91945e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 4.381215668899547 (4.63267e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 4.38121566842275 (1.08827e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 4.38121566818573 (5.40992e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.381215667875738 (7.07548e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.381215667457712 (9.54132e-09% change) large trace change predicted (2.89871e-08%) linmin: converged after 4 iterations. iteration 21: trace = 4.381215666187726 (2.89871e-08% change) large trace change predicted (1.22559e-07%) linmin: converged after 2 iterations. iteration 22: trace = 4.38121566081816 (1.22559e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.381215657974622 (6.49029e-08% change) linmin: converged after 11 iterations. iteration 24: trace = 4.381215657571819 (9.19387e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 4.381215657498213 (1.68004e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.38121565748099 (3.93123e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.381215657476101 (1.11579e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.381215657475532 (1.29946e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 elapsed time for k point: 0.09117865562438965 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.331786090078049 (0.980962% change) linmin: converged after 5 iterations. iteration 2: trace = 4.325045837959946 (0.155721% change) linmin: converged after 4 iterations. iteration 3: trace = 4.323282384521733 (0.0407814% change) linmin: converged after 4 iterations. iteration 4: trace = 4.322801726673121 (0.0111185% change) linmin: converged after 5 iterations. iteration 5: trace = 4.322744261437419 (0.00132936% change) linmin: converged after 5 iterations. iteration 6: trace = 4.322738562405229 (0.000131838% change) linmin: converged after 5 iterations. iteration 7: trace = 4.322737639096739 (2.13593e-05% change) linmin: converged after 14 iterations. iteration 8: trace = 4.322737373315284 (6.14845e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.322737323966322 (1.14161e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.322737320305619 (8.46848e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.322737319841387 (1.07393e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.32273731950741 (7.72606e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.322737319388514 (2.75048e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.322737319377672 (2.50813e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 4.322737319376866 (1.86358e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 elapsed time for k point: 0.050011396408081055 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.30733259192351 (0.923129% change) linmin: converged after 4 iterations. iteration 2: trace = 4.302220684623329 (0.11875% change) linmin: converged after 4 iterations. iteration 3: trace = 4.301135561283071 (0.0252256% change) linmin: converged after 4 iterations. iteration 4: trace = 4.300888756572574 (0.00573829% change) linmin: converged after 4 iterations. iteration 5: trace = 4.3008568198607 (0.000742564% change) linmin: converged after 7 iterations. iteration 6: trace = 4.300852819316737 (9.30174e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.300851758232528 (2.46715e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.300851520938096 (5.51738e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.300851493117166 (6.4687e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.300851491505008 (3.74846e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.30085149141083 (2.18975e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.300851491406211 (1.07386e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.300851491405948 (6.13341e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 elapsed time for k point: 0.043636322021484375 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.324349374017137 (0.940312% change) linmin: converged after 4 iterations. iteration 2: trace = 4.31885438777056 (0.127152% change) linmin: converged after 4 iterations. iteration 3: trace = 4.317434132378246 (0.0328904% change) linmin: converged after 4 iterations. iteration 4: trace = 4.317148349406809 (0.0066195% change) linmin: converged after 4 iterations. iteration 5: trace = 4.317118057908731 (0.000701658% change) linmin: converged after 5 iterations. iteration 6: trace = 4.317114586099012 (8.04196e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.317113326114097 (2.91858e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.317112957372542 (8.54139e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.31711290354308 (1.24689e-06% change) linmin: converged after 14 iterations. iteration 10: trace = 4.317112897314944 (1.44266e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.317112896825685 (1.1333e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.31711289679096 (8.0436e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.317112896788793 (5.01786e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 elapsed time for k point: 0.043723344802856445 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.370612521887688 (1.0309% change) linmin: converged after 3 iterations. iteration 2: trace = 4.362179672344748 (0.193131% change) linmin: converged after 5 iterations. iteration 3: trace = 4.358935647496757 (0.0743947% change) linmin: converged after 4 iterations. iteration 4: trace = 4.358364216793742 (0.0131103% change) linmin: converged after 4 iterations. iteration 5: trace = 4.358306058549726 (0.00133441% change) linmin: converged after 4 iterations. iteration 6: trace = 4.358298660455427 (0.000169747% change) linmin: converged after 5 iterations. iteration 7: trace = 4.358297720839165 (2.15592e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.358297586070673 (3.09223e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.358297546325382 (9.11945e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.358297522360147 (5.49876e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.358297517194552 (1.18523e-07% change) linmin: converged after 15 iterations. iteration 12: trace = 4.358297516480512 (1.63835e-08% change) linmin: converged after 14 iterations. iteration 13: trace = 4.358297516296371 (4.22506e-09% change) linmin: converged after 8 iterations. iteration 14: trace = 4.358297516225988 (1.61492e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.35829751621598 (2.29651e-10% change) linmin: converged after 14 iterations. iteration 16: trace = 4.358297516212385 (8.24739e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 elapsed time for k point: 0.05331587791442871 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.411986819853022 (1.21496% change) linmin: converged after 5 iterations. iteration 2: trace = 4.395278738318527 (0.379416% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386670154538979 (0.196052% change) linmin: converged after 4 iterations. iteration 4: trace = 4.385375435085717 (0.0295192% change) linmin: converged after 4 iterations. iteration 5: trace = 4.385158037461173 (0.00495745% change) linmin: converged after 5 iterations. iteration 6: trace = 4.385115462211111 (0.000970899% change) linmin: converged after 5 iterations. iteration 7: trace = 4.385101645836655 (0.000315075% change) linmin: converged after 6 iterations. iteration 8: trace = 4.385091804775308 (0.000224421% change) linmin: converged after 6 iterations. iteration 9: trace = 4.385087112979726 (0.000106994% change) linmin: converged after 3 iterations. iteration 10: trace = 4.385086288853222 (1.87938e-05% change) linmin: converged after 18 iterations. iteration 11: trace = 4.385086150105526 (3.16408e-06% change) linmin: converged after 24 iterations. iteration 12: trace = 4.385086139697305 (2.37355e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.385086139058149 (1.45757e-08% change) linmin: converged after 18 iterations. iteration 14: trace = 4.385086138940978 (2.67204e-09% change) large trace change predicted (7.99145e-09%) linmin: converged after 19 iterations. iteration 15: trace = 4.385086138590539 (7.99161e-09% change) large trace change predicted (6.99046e-08%) linmin: converged after 4 iterations. iteration 16: trace = 4.385086135525146 (6.9905e-08% change) large trace change predicted (2.99638e-07%) linmin: converged after 15 iterations. iteration 17: trace = 4.38508612238568 (2.9964e-07% change) large trace change predicted (1.05365e-06%) linmin: converged after 4 iterations. iteration 18: trace = 4.385086076184955 (1.05359e-06% change) near maximum in trace linmin: converged after 11 iterations. iteration 19: trace = 4.385075354205838 (0.00024451% change) linmin: converged after 9 iterations. iteration 20: trace = 4.385074742555071 (1.39485e-05% change) linmin: converged after 7 iterations. iteration 21: trace = 4.385074123016911 (1.41283e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.385073489483645 (1.44475e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.385072830671909 (1.5024e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.385072133156352 (1.59066e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 4.385071381701924 (1.71367e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.38507055881408 (1.87657e-05% change) linmin: converged after 11 iterations. iteration 27: trace = 4.385069644258448 (2.08561e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.385068615201292 (2.34673e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.385067448165703 (2.66139e-05% change) linmin: converged after 12 iterations. iteration 30: trace = 4.385066125006874 (3.01742e-05% change) linmin: converged after 10 iterations. iteration 31: trace = 4.385064645392967 (3.37421e-05% change) linmin: converged after 10 iterations. iteration 32: trace = 4.385063043532337 (3.65299e-05% change) linmin: converged after 7 iterations. iteration 33: trace = 4.385061393686593 (3.76242e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 4.385059785765457 (3.66682e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 4.38505828571092 (3.42083e-05% change) linmin: converged after 10 iterations. iteration 36: trace = 4.385056918715764 (3.11739e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 4.38505568014297 (2.82453e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.385054552447188 (2.57168e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 4.385053515901609 (2.36381e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 4.385052553115354 (2.19561e-05% change) linmin: converged after 10 iterations. iteration 41: trace = 4.385051650230681 (2.05901e-05% change) linmin: converged after 8 iterations. iteration 42: trace = 4.385050796780807 (1.94627e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.385049985135449 (1.85094e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.385049209893258 (1.76792e-05% change) linmin: converged after 6 iterations. iteration 45: trace = 4.385048467337937 (1.69338e-05% change) linmin: converged after 8 iterations. iteration 46: trace = 4.385047754984416 (1.62451e-05% change) linmin: converged after 12 iterations. iteration 47: trace = 4.385047071278264 (1.55918e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 4.385046415093593 (1.49641e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.385045785697033 (1.43532e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 4.385045182665159 (1.3752e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 4.385044605515017 (1.31618e-05% change) linmin: converged after 7 iterations. iteration 52: trace = 4.385044053772608 (1.25824e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.385043526949073 (1.20141e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 4.38504302444603 (1.14595e-05% change) linmin: converged after 7 iterations. iteration 55: trace = 4.385042545584802 (1.09203e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 4.385042089573762 (1.03992e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.385041655577478 (9.8972e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 4.385041242694529 (9.41571e-06% change) linmin: converged after 7 iterations. iteration 59: trace = 4.385040849983951 (8.95569e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 4.385040476484113 (8.51759e-06% change) linmin: converged after 5 iterations. iteration 61: trace = 4.385040121217231 (8.10179e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 4.385039783217611 (7.70802e-06% change) linmin: converged after 5 iterations. iteration 63: trace = 4.385039461533078 (7.33595e-06% change) linmin: converged after 8 iterations. iteration 64: trace = 4.385039155231173 (6.98516e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 4.385038863412921 (6.65486e-06% change) linmin: converged after 5 iterations. iteration 66: trace = 4.385038585211775 (6.34433e-06% change) linmin: converged after 11 iterations. iteration 67: trace = 4.385038319799365 (6.05268e-06% change) linmin: converged after 5 iterations. iteration 68: trace = 4.385038066386834 (5.77903e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 4.385037824224584 (5.52247e-06% change) resetting CG direction... large trace change predicted (0.00313316%) linmin: converged after 4 iterations. iteration 70: trace = 4.384900323834382 (0.00313572% change) linmin: converged after 5 iterations. iteration 71: trace = 4.384884251653409 (0.000366535% change) linmin: converged after 15 iterations. iteration 72: trace = 4.384873438099873 (0.00024661% change) linmin: converged after 4 iterations. iteration 73: trace = 4.384870687921397 (6.27197e-05% change) linmin: converged after 8 iterations. iteration 74: trace = 4.384870449208404 (5.44401e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 4.384870415805898 (7.61767e-07% change) linmin: converged after 6 iterations. iteration 76: trace = 4.38487040111867 (3.34952e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 4.384870393492229 (1.73926e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 4.384870389505634 (9.09171e-08% change) linmin: converged after 17 iterations. iteration 79: trace = 4.384870388333979 (2.67204e-08% change) linmin: converged after 7 iterations. iteration 80: trace = 4.384870388228482 (2.40593e-09% change) linmin: converged after 5 iterations. iteration 81: trace = 4.384870388201534 (6.14553e-10% change) large trace change predicted (3.52788e-09%) linmin: converged after 3 iterations. iteration 82: trace = 4.384870388046835 (3.52803e-09% change) large trace change predicted (3.76309e-08%) linmin: converged after 11 iterations. iteration 83: trace = 4.384870386396763 (3.7631e-08% change) large trace change predicted (1.53218e-07%) linmin: converged after 4 iterations. iteration 84: trace = 4.384870379678431 (1.53216e-07% change) linmin: converged after 12 iterations. iteration 85: trace = 4.384870373496177 (1.40991e-07% change) linmin: converged after 5 iterations. iteration 86: trace = 4.384870369364628 (9.42228e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 4.384870363595912 (1.3156e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 4.384870360433216 (7.21275e-08% change) linmin: converged after 4 iterations. iteration 89: trace = 4.384870359582584 (1.93993e-08% change) linmin: converged after 19 iterations. iteration 90: trace = 4.384870359189021 (8.97547e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 4.384870359114158 (1.7073e-09% change) linmin: converged after 3 iterations. iteration 92: trace = 4.384870359106892 (1.6571e-10% change) linmin: converged after 6 iterations. iteration 93: trace = 4.384870359106214 (1.5455e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.24817705154418945 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354986 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431465 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261712 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6918627724774278 at Vector3<0.0, 0.5, 0.0> to 0.7476220778306566 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7443374497087797 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092521 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.78527869844185 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712554 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.7856577771856614 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014186 at Vector3<0.0, 0.5, 0.0> Band 8 range: 1.0540350508135126 at Vector3<0.0, 0.5, 0.0> to 1.149276938923452 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.3351167660354986) to band 2 (0.3351850759916969), 0.020381849464022318% Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431465), 28.919416524522983% Gap from band 5 (0.7793792212092521) to band 6 (0.78527869844185), 0.7540916335135398% Gap from band 7 (0.9122560439014186) to band 8 (1.0540350508135126), 14.420958045649781% total elapsed time for run: 1.1368253231048584 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015423297882080078 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 17.92607897538319 (194.877% change) linmin: converged after 7 iterations. iteration 2: trace = 7.881119914880881 (77.8462% change) linmin: converged after 5 iterations. iteration 3: trace = 6.848510109177969 (14.0209% change) linmin: converged after 7 iterations. iteration 4: trace = 6.588886523633432 (3.86419% change) linmin: converged after 4 iterations. iteration 5: trace = 6.523769424240228 (0.993195% change) linmin: converged after 4 iterations. iteration 6: trace = 6.496465469866148 (0.419408% change) linmin: converged after 5 iterations. iteration 7: trace = 6.483109823717936 (0.205795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.47489345606278 (0.126815% change) linmin: converged after 4 iterations. iteration 9: trace = 6.472166897132243 (0.0421186% change) linmin: converged after 4 iterations. iteration 10: trace = 6.470881088000219 (0.0198687% change) linmin: converged after 4 iterations. iteration 11: trace = 6.470157573753596 (0.0111817% change) linmin: converged after 4 iterations. iteration 12: trace = 6.469608843969674 (0.00848129% change) linmin: converged after 4 iterations. iteration 13: trace = 6.469122408660828 (0.00751906% change) linmin: converged after 5 iterations. iteration 14: trace = 6.468841027070809 (0.0043497% change) linmin: converged after 4 iterations. iteration 15: trace = 6.468666577909485 (0.0026968% change) linmin: converged after 4 iterations. iteration 16: trace = 6.468592519452094 (0.00114489% change) linmin: converged after 5 iterations. iteration 17: trace = 6.468566795431892 (0.000397676% change) linmin: converged after 4 iterations. iteration 18: trace = 6.468554711940077 (0.000186803% change) linmin: converged after 5 iterations. iteration 19: trace = 6.468546490013788 (0.000127106% change) linmin: converged after 5 iterations. iteration 20: trace = 6.468532135358178 (0.000221915% change) large trace change predicted (0.00051345%) linmin: converged after 5 iterations. iteration 21: trace = 6.468498926665532 (0.00051339% change) large trace change predicted (0.00142191%) linmin: converged after 5 iterations. iteration 22: trace = 6.468407161827736 (0.00141865% change) large trace change predicted (0.00515645%) linmin: converged after 4 iterations. iteration 23: trace = 6.468086335224053 (0.00496002% change) large trace change predicted (0.0109938%) linmin: converged after 11 iterations. iteration 24: trace = 6.467419876416453 (0.0103043% change) linmin: converged after 7 iterations. iteration 25: trace = 6.466887403808943 (0.00823349% change) linmin: converged after 5 iterations. iteration 26: trace = 6.46664078986795 (0.00381356% change) linmin: converged after 3 iterations. iteration 27: trace = 6.466547272917 (0.00144615% change) linmin: converged after 8 iterations. iteration 28: trace = 6.466507039001571 (0.000622187% change) linmin: converged after 3 iterations. iteration 29: trace = 6.466489937738228 (0.000264459% change) linmin: converged after 3 iterations. iteration 30: trace = 6.466483473165567 (9.99704e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466478920808034 (7.03993e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466475299913414 (5.59949e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.46647264014508 (4.11317e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.466470979754835 (2.56769e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.466469915055258 (1.64649e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.466469179614521 (1.13731e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.46646875172329 (6.61708e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466468412457695 (5.24654e-06% change) linmin: converged after 6 iterations. iteration 39: trace = 6.466467929858439 (7.4631e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 6.466467100420315 (1.28268e-05% change) large trace change predicted (2.85188e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.466465255870575 (2.85248e-05% change) large trace change predicted (6.2393e-05%) linmin: converged after 6 iterations. iteration 42: trace = 6.466461220016761 (6.24121e-05% change) large trace change predicted (0.000157529%) linmin: converged after 5 iterations. iteration 43: trace = 6.46645103001381 (0.000157582% change) linmin: converged after 8 iterations. iteration 44: trace = 6.466433013341643 (0.000278618% change) linmin: converged after 6 iterations. iteration 45: trace = 6.466416782672162 (0.000250999% change) linmin: converged after 5 iterations. iteration 46: trace = 6.4664094905272 (0.00011277% change) linmin: converged after 5 iterations. iteration 47: trace = 6.466406899774644 (4.00648e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.46640609447639 (1.24536e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 6.466405844610549 (3.86406e-06% change) linmin: converged after 2 iterations. iteration 50: trace = 6.466405769905435 (1.15528e-06% change) linmin: converged after 2 iterations. iteration 51: trace = 6.466405747179933 (3.51439e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 6.466405737995057 (1.4204e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 6.466405731537542 (9.98625e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.466405724918882 (1.02355e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 6.46640571804728 (1.06266e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 6.46640571327516 (7.37987e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.466405709707839 (5.5167e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 6.466405707036908 (4.13047e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.46640570413072 (4.49429e-08% change) linmin: converged after 2 iterations. iteration 60: trace = 6.466405699086192 (7.80113e-08% change) large trace change predicted (1.56029e-07%) linmin: converged after 4 iterations. iteration 61: trace = 6.466405688996683 (1.5603e-07% change) large trace change predicted (3.74427e-07%) linmin: converged after 10 iterations. iteration 62: trace = 6.466405664784492 (3.7443e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 6.466405627488661 (5.76763e-07% change) linmin: converged after 12 iterations. iteration 64: trace = 6.466405586875672 (6.28061e-07% change) linmin: converged after 23 iterations. iteration 65: trace = 6.466405565064147 (3.37305e-07% change) linmin: converged after 6 iterations. iteration 66: trace = 6.4664055559071 (1.4161e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 6.46640555260463 (5.10712e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.466405551334199 (1.96466e-08% change) linmin: converged after 2 iterations. iteration 69: trace = 6.466405550798717 (8.28098e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.466405550641908 (2.42498e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 6.466405550503332 (2.14302e-09% change) linmin: converged after 9 iterations. iteration 72: trace = 6.466405550444732 (9.06212e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 6.466405550414196 (4.72232e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 6.466405550383241 (4.78702e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.466405550351419 (4.92121e-10% change) large trace change predicted (1.03796e-09%) linmin: converged after 4 iterations. iteration 76: trace = 6.466405550284295 (1.03804e-09% change) large trace change predicted (2.15828e-09%) linmin: converged after 3 iterations. iteration 77: trace = 6.466405550144725 (2.15837e-09% change) large trace change predicted (4.86816e-09%) linmin: converged after 2 iterations. iteration 78: trace = 6.466405549829948 (4.86789e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.466405549268318 (8.68535e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.466405548565625 (1.08668e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.466405547892629 (1.04076e-08% change) linmin: converged after 3 iterations. iteration 82: trace = 6.466405547384065 (7.86471e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 6.466405546956302 (6.61517e-09% change) linmin: converged after 12 iterations. iteration 84: trace = 6.466405546505226 (6.97568e-09% change) linmin: converged after 5 iterations. iteration 85: trace = 6.466405546056942 (6.93251e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.466405545724251 (5.14492e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 6.466405545536705 (2.90031e-09% change) linmin: converged after 2 iterations. iteration 88: trace = 6.46640554546141 (1.16439e-09% change) linmin: converged after 3 iterations. iteration 89: trace = 6.466405545440695 (3.20348e-10% change) linmin: converged after 4 iterations. iteration 90: trace = 6.466405545433981 (1.03839e-10% change) linmin: converged after 3 iterations. iteration 91: trace = 6.466405545431611 (3.66457e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 elapsed time for k point: 0.2428891658782959 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.464067053669357 (0.950104% change) linmin: converged after 6 iterations. iteration 2: trace = 6.434765702784639 (0.454326% change) linmin: converged after 4 iterations. iteration 3: trace = 6.415644747700409 (0.297593% change) linmin: converged after 5 iterations. iteration 4: trace = 6.394653603632566 (0.327723% change) linmin: converged after 5 iterations. iteration 5: trace = 6.384220860662882 (0.163281% change) linmin: converged after 4 iterations. iteration 6: trace = 6.377901272319226 (0.0990366% change) linmin: converged after 4 iterations. iteration 7: trace = 6.375261062399932 (0.0414048% change) linmin: converged after 4 iterations. iteration 8: trace = 6.373625086028884 (0.0256646% change) linmin: converged after 4 iterations. iteration 9: trace = 6.372011047626751 (0.0253269% change) linmin: converged after 4 iterations. iteration 10: trace = 6.370462458419555 (0.0243059% change) linmin: converged after 5 iterations. iteration 11: trace = 6.369069011403234 (0.021876% change) linmin: converged after 4 iterations. iteration 12: trace = 6.368402519858785 (0.0104651% change) linmin: converged after 3 iterations. iteration 13: trace = 6.368153913662254 (0.00390382% change) linmin: converged after 3 iterations. iteration 14: trace = 6.368046529099064 (0.00168629% change) linmin: converged after 5 iterations. iteration 15: trace = 6.368001436765208 (0.000708106% change) linmin: converged after 5 iterations. iteration 16: trace = 6.367977391422778 (0.000377597% change) linmin: converged after 4 iterations. iteration 17: trace = 6.367957304381571 (0.000315439% change) linmin: converged after 4 iterations. iteration 18: trace = 6.367940626652769 (0.000261901% change) linmin: converged after 4 iterations. iteration 19: trace = 6.367929610028832 (0.000173002% change) linmin: converged after 5 iterations. iteration 20: trace = 6.367922428078566 (0.000112783% change) linmin: converged after 5 iterations. iteration 21: trace = 6.367918388195516 (6.34412e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 6.367915639597514 (4.31632e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 6.36791367406002 (3.08663e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 6.367912248326844 (2.23893e-05% change) linmin: converged after 16 iterations. iteration 25: trace = 6.367910983142096 (1.98681e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 6.367910002777575 (1.53954e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.36790948337494 (8.15656e-06% change) linmin: converged after 17 iterations. iteration 28: trace = 6.367909240413528 (3.8154e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 6.367909155901631 (1.32715e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.367909122690511 (5.21539e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 6.367909103766926 (2.97171e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 6.367909090577581 (2.07122e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 6.367909079277712 (1.7745e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 6.36790906864871 (1.66915e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 6.367909061036064 (1.19547e-07% change) linmin: converged after 4 iterations. iteration 36: trace = 6.367909056621686 (6.93223e-08% change) linmin: converged after 7 iterations. iteration 37: trace = 6.367909054296987 (3.65065e-08% change) linmin: converged after 25 iterations. iteration 38: trace = 6.367909052624112 (2.62704e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 6.367909051314635 (2.05637e-08% change) linmin: converged after 19 iterations. iteration 40: trace = 6.367909050370923 (1.48198e-08% change) linmin: converged after 12 iterations. iteration 41: trace = 6.367909049791789 (9.09459e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 6.367909049418208 (5.86661e-09% change) linmin: converged after 7 iterations. iteration 43: trace = 6.367909049257634 (2.52162e-09% change) linmin: converged after 15 iterations. iteration 44: trace = 6.367909049201551 (8.80701e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 6.36790904918262 (2.97296e-10% change) linmin: converged after 16 iterations. iteration 46: trace = 6.367909049171294 (1.77861e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 6.36790904915873 (1.97291e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 6.367909049144634 (2.21364e-10% change) linmin: converged after 3 iterations. iteration 49: trace = 6.367909049133674 (1.72115e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 6.367909049127841 (9.15947e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 elapsed time for k point: 0.1625533103942871 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 6.320003260588898 (0.45358% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311018991319353 (0.142257% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308745252010862 (0.0360346% change) linmin: converged after 3 iterations. iteration 4: trace = 6.30786887448632 (0.0138924% change) linmin: converged after 3 iterations. iteration 5: trace = 6.307557660640787 (0.00493386% change) linmin: converged after 3 iterations. iteration 6: trace = 6.307472354505054 (0.00135245% change) linmin: converged after 18 iterations. iteration 7: trace = 6.307433279783377 (0.000619501% change) linmin: converged after 3 iterations. iteration 8: trace = 6.307420189300787 (0.000207541% change) linmin: converged after 3 iterations. iteration 9: trace = 6.307414904205114 (8.37918e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.307412046921455 (4.53004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.307410415159065 (2.58706e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.307409446531607 (1.5357e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.307408968969276 (7.57145e-06% change) linmin: converged after 26 iterations. iteration 14: trace = 6.307408722233328 (3.91184e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.307408593328495 (2.04371e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 6.307408549531673 (6.94371e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.307408534807223 (2.33447e-07% change) linmin: converged after 8 iterations. iteration 18: trace = 6.307408529970343 (7.66857e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 6.307408528488401 (2.34953e-08% change) linmin: converged after 10 iterations. iteration 20: trace = 6.307408528005171 (7.66131e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 6.307408527853786 (2.40011e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 6.307408527794083 (9.46559e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.307408527756509 (5.95704e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 6.307408527736825 (3.12074e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 6.307408527727556 (1.46969e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 6.307408527722558 (7.92367e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 elapsed time for k point: 0.08521628379821777 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.297463613016943 (0.437255% change) linmin: converged after 4 iterations. iteration 2: trace = 6.286946394765085 (0.167147% change) linmin: converged after 3 iterations. iteration 3: trace = 6.284028604057987 (0.0464211% change) linmin: converged after 4 iterations. iteration 4: trace = 6.282826267186057 (0.019135% change) linmin: converged after 3 iterations. iteration 5: trace = 6.282353152588189 (0.00753057% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282211510432963 (0.00225463% change) linmin: converged after 4 iterations. iteration 7: trace = 6.28210807752835 (0.00164645% change) linmin: converged after 4 iterations. iteration 8: trace = 6.282049428305429 (0.000933596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282007604384527 (0.000665771% change) linmin: converged after 4 iterations. iteration 10: trace = 6.28198892944936 (0.000297277% change) linmin: converged after 4 iterations. iteration 11: trace = 6.281981237844897 (0.000122439% change) linmin: converged after 5 iterations. iteration 12: trace = 6.281976759972078 (7.12812e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.281973995724723 (4.40028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 6.2819724946079 (2.38956e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.281971806094752 (1.09601e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.281971630844388 (2.78974e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 6.281971579295186 (8.2059e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.281971566101337 (2.10027e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.281971562304189 (6.04452e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.281971560806635 (2.38389e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.281971560352624 (7.22721e-09% change) linmin: converged after 18 iterations. iteration 22: trace = 6.281971560186316 (2.64738e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 6.281971560120156 (1.05318e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 6.281971560091684 (4.53239e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 6.281971560080303 (1.81157e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 6.281971560075127 (8.23994e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 elapsed time for k point: 0.0849761962890625 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.300840158369326 (0.430756% change) linmin: converged after 4 iterations. iteration 2: trace = 6.289206684355614 (0.184804% change) linmin: converged after 3 iterations. iteration 3: trace = 6.286050269834831 (0.0502004% change) linmin: converged after 4 iterations. iteration 4: trace = 6.284751976800665 (0.0206557% change) linmin: converged after 4 iterations. iteration 5: trace = 6.28407227131049 (0.0108157% change) linmin: converged after 4 iterations. iteration 6: trace = 6.283704056617327 (0.00585966% change) linmin: converged after 7 iterations. iteration 7: trace = 6.2832585270345 (0.00709049% change) linmin: converged after 4 iterations. iteration 8: trace = 6.283014882136316 (0.00387776% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282869782341344 (0.00230942% change) linmin: converged after 4 iterations. iteration 10: trace = 6.282800167351094 (0.00110802% change) linmin: converged after 4 iterations. iteration 11: trace = 6.28274700499586 (0.000846161% change) linmin: converged after 9 iterations. iteration 12: trace = 6.282703557060905 (0.000691546% change) linmin: converged after 5 iterations. iteration 13: trace = 6.282682229334572 (0.000339468% change) linmin: converged after 4 iterations. iteration 14: trace = 6.282675130392991 (0.000112992% change) linmin: converged after 3 iterations. iteration 15: trace = 6.282672608965546 (4.0133e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.282672096548786 (8.15603e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 6.282671912329325 (2.93218e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 6.28267184119006 (1.13231e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 6.282671801233814 (6.35975e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.282671779010525 (3.53724e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.28267177078478 (1.30928e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.282671767753041 (4.82556e-08% change) linmin: converged after 16 iterations. iteration 23: trace = 6.282671766763957 (1.57431e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 6.282671766458821 (4.85679e-09% change) linmin: converged after 13 iterations. iteration 25: trace = 6.282671766336982 (1.93928e-09% change) linmin: converged after 8 iterations. iteration 26: trace = 6.282671766260689 (1.21434e-09% change) linmin: converged after 10 iterations. iteration 27: trace = 6.282671766201561 (9.41125e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 6.282671766155276 (7.36719e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.282671766133061 (3.53593e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 6.282671766123542 (1.51506e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 6.28267176611981 (5.94035e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 elapsed time for k point: 0.10099363327026367 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.32305852451857 (0.41541% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311730025503867 (0.179322% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308426930511856 (0.0523463% change) linmin: converged after 4 iterations. iteration 4: trace = 6.306501212724845 (0.0305308% change) linmin: converged after 4 iterations. iteration 5: trace = 6.304352136232588 (0.034083% change) linmin: converged after 4 iterations. iteration 6: trace = 6.302203468400638 (0.0340881% change) linmin: converged after 5 iterations. iteration 7: trace = 6.299495340678916 (0.0429804% change) linmin: converged after 4 iterations. iteration 8: trace = 6.298130082632392 (0.0216748% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296931272767017 (0.0190362% change) linmin: converged after 4 iterations. iteration 10: trace = 6.295807443255548 (0.0178488% change) linmin: converged after 4 iterations. iteration 11: trace = 6.294899315455991 (0.0144254% change) linmin: converged after 3 iterations. iteration 12: trace = 6.294524809215385 (0.00594954% change) linmin: converged after 3 iterations. iteration 13: trace = 6.294437485924472 (0.0013873% change) linmin: converged after 4 iterations. iteration 14: trace = 6.294418376016299 (0.0003036% change) linmin: converged after 5 iterations. iteration 15: trace = 6.29441118909261 (0.000114179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.294408935263553 (3.58068e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 6.294407437985897 (2.37874e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 6.294406459003853 (1.55532e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 6.294405986379172 (7.50865e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 6.294405825788342 (2.55133e-06% change) linmin: converged after 11 iterations. iteration 21: trace = 6.294405782629283 (6.85673e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 6.294405766447001 (2.5709e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 6.294405751369214 (2.39543e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 6.294405733484961 (2.84129e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 6.294405719045192 (2.29406e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 6.294405712361771 (1.0618e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.294405710179676 (3.46672e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 6.294405708996514 (1.8797e-08% change) linmin: converged after 17 iterations. iteration 29: trace = 6.294405707877621 (1.7776e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 6.294405706286289 (2.52817e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 6.294405704817201 (2.33396e-08% change) linmin: converged after 5 iterations. iteration 32: trace = 6.294405704102932 (1.13477e-08% change) linmin: converged after 17 iterations. iteration 33: trace = 6.29440570376873 (5.30951e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 6.294405703545728 (3.54286e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 6.29440570340198 (2.28373e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 6.294405703320329 (1.2972e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 6.294405703286797 (5.32732e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 6.294405703273481 (2.1156e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 6.294405703268606 (7.7439e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 elapsed time for k point: 0.1265108585357666 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.304124176924446 (0.136202% change) linmin: converged after 4 iterations. iteration 2: trace = 6.299143727762917 (0.0790343% change) linmin: converged after 4 iterations. iteration 3: trace = 6.297619114860192 (0.0242064% change) linmin: converged after 4 iterations. iteration 4: trace = 6.296869484147609 (0.0119041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.296579810595722 (0.00460038% change) linmin: converged after 5 iterations. iteration 6: trace = 6.296498469687463 (0.00129184% change) linmin: converged after 4 iterations. iteration 7: trace = 6.29647411415061 (0.000386812% change) linmin: converged after 3 iterations. iteration 8: trace = 6.296468894841439 (8.28926e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 6.296468163009845 (1.16229e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.296467941171192 (3.52322e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 6.29646786532974 (1.20451e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 6.296467833969841 (4.98055e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 6.296467809829995 (3.83387e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 6.296467783022479 (4.25755e-07% change) linmin: converged after 23 iterations. iteration 15: trace = 6.296467750315609 (5.19448e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.296467727879383 (3.5633e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.296467716753019 (1.76708e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.296467707688741 (1.43958e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 6.296467699980609 (1.2242e-07% change) linmin: converged after 27 iterations. iteration 20: trace = 6.296467694261516 (9.08302e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.296467691403795 (4.53861e-08% change) linmin: converged after 18 iterations. iteration 22: trace = 6.296467690402601 (1.59009e-08% change) linmin: converged after 12 iterations. iteration 23: trace = 6.296467690046346 (5.65801e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 6.296467689824289 (3.52669e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.296467689597056 (3.6089e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 6.296467689392047 (3.25593e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 6.296467689305398 (1.37615e-09% change) linmin: converged after 7 iterations. iteration 28: trace = 6.296467689279564 (4.10301e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.296467689270653 (1.41525e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 6.296467689265775 (7.747e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 elapsed time for k point: 0.09802985191345215 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.30975586923275 (0.140741% change) linmin: converged after 5 iterations. iteration 2: trace = 6.304446785318165 (0.0841763% change) linmin: converged after 4 iterations. iteration 3: trace = 6.302898425009155 (0.0245628% change) linmin: converged after 4 iterations. iteration 4: trace = 6.302200209028445 (0.0110783% change) linmin: converged after 4 iterations. iteration 5: trace = 6.301949962624072 (0.00397086% change) linmin: converged after 5 iterations. iteration 6: trace = 6.301878185411298 (0.00113897% change) linmin: converged after 5 iterations. iteration 7: trace = 6.301853710018614 (0.000388383% change) linmin: converged after 2 iterations. iteration 8: trace = 6.30184808726186 (8.92239e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 6.301846911960207 (1.86501e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 6.301846388216834 (8.31095e-06% change) linmin: converged after 16 iterations. iteration 11: trace = 6.301846085007986 (4.81143e-06% change) linmin: converged after 7 iterations. iteration 12: trace = 6.301845888867719 (3.11243e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.301845757622948 (2.08264e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 6.301845698619576 (9.36287e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 6.301845668235452 (4.82146e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 6.301845649790792 (2.92687e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.30184562932028 (3.24834e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.3018456018491 (4.35923e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 6.301845579579587 (3.53381e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.301845567110187 (1.97869e-07% change) linmin: converged after 21 iterations. iteration 21: trace = 6.301845561609795 (8.72822e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 6.301845559125029 (3.94292e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 6.301845557289972 (2.91194e-08% change) linmin: converged after 14 iterations. iteration 24: trace = 6.301845555247243 (3.24148e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.301845553038588 (3.50478e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 6.30184555168397 (2.14956e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 6.301845551182753 (7.95349e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 6.301845550984639 (3.14374e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 6.301845550903849 (1.28201e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 6.301845550857777 (7.31081e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.301845550833526 (3.84835e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 6.301845550825478 (1.27705e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.301845550822882 (4.11966e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 elapsed time for k point: 0.10762548446655273 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317078115565954 (0.146594% change) linmin: converged after 5 iterations. iteration 2: trace = 6.311483197730214 (0.0886074% change) linmin: converged after 4 iterations. iteration 3: trace = 6.310056572930605 (0.0226062% change) linmin: converged after 8 iterations. iteration 4: trace = 6.309473827662909 (0.00923561% change) linmin: converged after 4 iterations. iteration 5: trace = 6.309287208923827 (0.0029578% change) linmin: converged after 4 iterations. iteration 6: trace = 6.3092292265646 (0.000919004% change) linmin: converged after 3 iterations. iteration 7: trace = 6.309202973780172 (0.000416102% change) linmin: converged after 5 iterations. iteration 8: trace = 6.309194406599303 (0.000135789% change) linmin: converged after 3 iterations. iteration 9: trace = 6.309190349198362 (6.43094e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.30918737596305 (4.71255e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.30918556745539 (2.86647e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 6.309184755087376 (1.2876e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.309184446575687 (4.88988e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.3091843520256 (1.49861e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.309184300579695 (8.15413e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.30918425767296 (6.80068e-07% change) linmin: converged after 28 iterations. iteration 17: trace = 6.30918419871607 (9.34461e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 6.309184133927531 (1.02689e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 6.30918409968129 (5.428e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.309184084106096 (2.46865e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.309184076911389 (1.14035e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.309184072438057 (7.09019e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 6.309184068130108 (6.82806e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 6.30918406321269 (7.79406e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.309184056450055 (1.07187e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.309184051362617 (8.06354e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 6.309184048652941 (4.29481e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 6.309184047348843 (2.06698e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 6.309184046823375 (8.32863e-09% change) linmin: converged after 5 iterations. iteration 30: trace = 6.309184046545847 (4.39878e-09% change) linmin: converged after 5 iterations. iteration 31: trace = 6.309184046419697 (1.99948e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 6.309184046373008 (7.40014e-10% change) linmin: converged after 11 iterations. iteration 33: trace = 6.309184046358341 (2.32463e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.309184046353368 (7.88202e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 elapsed time for k point: 0.11069822311401367 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.32572780193767 (0.146427% change) linmin: converged after 5 iterations. iteration 2: trace = 6.320285470991051 (0.0860719% change) linmin: converged after 4 iterations. iteration 3: trace = 6.319074550849309 (0.0191611% change) linmin: converged after 4 iterations. iteration 4: trace = 6.318622553858084 (0.00715315% change) linmin: converged after 4 iterations. iteration 5: trace = 6.318479349131765 (0.00226642% change) linmin: converged after 4 iterations. iteration 6: trace = 6.31842028843446 (0.000934734% change) linmin: converged after 3 iterations. iteration 7: trace = 6.318374042077405 (0.000731932% change) linmin: converged after 7 iterations. iteration 8: trace = 6.318349508622388 (0.000388288% change) linmin: converged after 5 iterations. iteration 9: trace = 6.318335411525507 (0.000223114% change) linmin: converged after 5 iterations. iteration 10: trace = 6.318328246609449 (0.000113399% change) linmin: converged after 5 iterations. iteration 11: trace = 6.31832558476924 (4.21289e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.318324523262488 (1.68004e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.318324118772354 (6.40186e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.318323928381334 (3.01332e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.318323717793441 (3.33297e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 6.318323450132179 (4.23627e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 6.318323137017827 (4.95566e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.318322959162462 (2.81491e-06% change) linmin: converged after 22 iterations. iteration 19: trace = 6.318322903495078 (8.81047e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 6.318322888313309 (2.40282e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 6.318322883797162 (7.1477e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.318322882181396 (2.55727e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.31832288139463 (1.24521e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.318322880964165 (6.81297e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.318322880605027 (5.68407e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 6.3183228802096 (6.25843e-09% change) linmin: converged after 30 iterations. iteration 27: trace = 6.318322879598529 (9.6714e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 6.318322878497079 (1.74326e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 6.318322877602431 (1.41596e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 6.318322877083818 (8.20808e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.318322876807065 (4.38018e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 6.318322876668269 (2.19672e-09% change) linmin: converged after 10 iterations. iteration 33: trace = 6.318322876613934 (8.59962e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.318322876598199 (2.49037e-10% change) linmin: converged after 6 iterations. iteration 35: trace = 6.318322876593966 (6.69966e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 elapsed time for k point: 0.11357593536376953 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.337373568352012 (0.139364% change) linmin: converged after 4 iterations. iteration 2: trace = 6.332424094185279 (0.0781303% change) linmin: converged after 4 iterations. iteration 3: trace = 6.331354309828022 (0.0168952% change) linmin: converged after 4 iterations. iteration 4: trace = 6.330940591280346 (0.00653465% change) linmin: converged after 4 iterations. iteration 5: trace = 6.330763210202731 (0.00280185% change) linmin: converged after 5 iterations. iteration 6: trace = 6.330643969808116 (0.00188353% change) linmin: converged after 16 iterations. iteration 7: trace = 6.330526348142682 (0.00185799% change) linmin: converged after 17 iterations. iteration 8: trace = 6.330475545201162 (0.000802511% change) linmin: converged after 5 iterations. iteration 9: trace = 6.330456130107853 (0.000306693% change) linmin: converged after 4 iterations. iteration 10: trace = 6.330448155868348 (0.000125966% change) linmin: converged after 3 iterations. iteration 11: trace = 6.330444917505769 (5.11554e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 6.330441968361909 (4.65867e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.330438826387945 (4.96328e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 6.330433859958823 (7.84532e-05% change) large trace change predicted (0.000173114%) linmin: converged after 4 iterations. iteration 15: trace = 6.330422902016024 (0.0001731% change) linmin: converged after 4 iterations. iteration 16: trace = 6.330408494653135 (0.00022759% change) linmin: converged after 5 iterations. iteration 17: trace = 6.330393091584735 (0.000243319% change) linmin: converged after 5 iterations. iteration 18: trace = 6.330384367767492 (0.000137809% change) linmin: converged after 7 iterations. iteration 19: trace = 6.330379302030503 (8.00226e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 6.330373672659224 (8.89263e-05% change) large trace change predicted (0.000227718%) linmin: converged after 5 iterations. iteration 21: trace = 6.33035925724891 (0.000227718% change) large trace change predicted (0.000970824%) linmin: converged after 4 iterations. iteration 22: trace = 6.330298260639156 (0.000963561% change) large trace change predicted (0.00347969%) linmin: converged after 6 iterations. iteration 23: trace = 6.330100731410994 (0.00312043% change) linmin: converged after 4 iterations. iteration 24: trace = 6.329824561188028 (0.0043629% change) linmin: converged after 5 iterations. iteration 25: trace = 6.329581572606542 (0.00383886% change) linmin: converged after 5 iterations. iteration 26: trace = 6.329442198108147 (0.00220198% change) linmin: converged after 4 iterations. iteration 27: trace = 6.329368644701107 (0.00116209% change) linmin: converged after 4 iterations. iteration 28: trace = 6.329332395258531 (0.00057272% change) linmin: converged after 3 iterations. iteration 29: trace = 6.32932199067881 (0.000164387% change) linmin: converged after 3 iterations. iteration 30: trace = 6.329319097534167 (4.57102e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.329318299781549 (1.26041e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.329317993705504 (4.83585e-06% change) linmin: converged after 22 iterations. iteration 33: trace = 6.329317822762581 (2.70081e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 6.329317711511705 (1.75771e-06% change) linmin: converged after 2 iterations. iteration 35: trace = 6.329317634102344 (1.22303e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 6.329317560447074 (1.16372e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 6.329317473969666 (1.3663e-06% change) linmin: converged after 17 iterations. iteration 38: trace = 6.329317376070318 (1.54676e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.329317304082064 (1.13738e-06% change) linmin: converged after 2 iterations. iteration 40: trace = 6.329317262529589 (6.56508e-07% change) linmin: converged after 21 iterations. iteration 41: trace = 6.329317230455207 (5.06759e-07% change) linmin: converged after 8 iterations. iteration 42: trace = 6.329317195172118 (5.57455e-07% change) linmin: converged after 7 iterations. iteration 43: trace = 6.329317162831521 (5.10965e-07% change) linmin: converged after 9 iterations. iteration 44: trace = 6.329317144688077 (2.86657e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 6.329317134236727 (1.65126e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.32931712562798 (1.36014e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 6.329317115427865 (1.61157e-07% change) linmin: converged after 6 iterations. iteration 48: trace = 6.329317101087421 (2.26572e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 6.329317075124321 (4.10204e-07% change) large trace change predicted (8.61034e-07%) linmin: converged after 8 iterations. iteration 50: trace = 6.329317020625254 (8.61058e-07% change) large trace change predicted (2.13468e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.329316885504944 (2.13483e-06% change) large trace change predicted (4.29494e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.329316613618884 (4.29566e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 6.329316332917143 (4.43495e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.329316191094067 (2.24073e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.329316143739841 (7.48173e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 6.329316126937146 (2.65474e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 6.329316120029702 (1.09134e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.329316116866351 (4.99794e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.32931611541861 (2.28736e-08% change) linmin: converged after 4 iterations. iteration 60: trace = 6.3293161147542 (1.04973e-08% change) linmin: converged after 2 iterations. iteration 61: trace = 6.329316114257213 (7.85215e-09% change) linmin: converged after 12 iterations. iteration 62: trace = 6.329316113577727 (1.07355e-08% change) linmin: converged after 3 iterations. iteration 63: trace = 6.329316112502813 (1.69831e-08% change) linmin: converged after 6 iterations. iteration 64: trace = 6.329316111378638 (1.77614e-08% change) linmin: converged after 21 iterations. iteration 65: trace = 6.329316110808146 (9.01349e-09% change) linmin: converged after 9 iterations. iteration 66: trace = 6.32931611061163 (3.10486e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.329316110525236 (1.36498e-09% change) linmin: converged after 4 iterations. iteration 68: trace = 6.329316110484315 (6.46532e-10% change) linmin: converged after 4 iterations. iteration 69: trace = 6.329316110466078 (2.88135e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.32931611045862 (1.17819e-10% change) linmin: converged after 11 iterations. iteration 71: trace = 6.329316110451563 (1.11504e-10% change) linmin: converged after 6 iterations. iteration 72: trace = 6.329316110445914 (8.92484e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 elapsed time for k point: 0.23167753219604492 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.392697535565415 (0.520011% change) linmin: converged after 5 iterations. iteration 2: trace = 6.375242987596106 (0.273412% change) linmin: converged after 4 iterations. iteration 3: trace = 6.370715448082573 (0.0710427% change) linmin: converged after 4 iterations. iteration 4: trace = 6.368209752404007 (0.0393392% change) linmin: converged after 4 iterations. iteration 5: trace = 6.366423965129089 (0.0280462% change) linmin: converged after 4 iterations. iteration 6: trace = 6.365418549486456 (0.0157937% change) linmin: converged after 4 iterations. iteration 7: trace = 6.364762760708476 (0.0103029% change) linmin: converged after 6 iterations. iteration 8: trace = 6.364505250070454 (0.00404596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.36431449875261 (0.00299716% change) linmin: converged after 4 iterations. iteration 10: trace = 6.36418777225265 (0.00199122% change) linmin: converged after 5 iterations. iteration 11: trace = 6.364105952509211 (0.00128564% change) large trace change predicted (0.00305009%) linmin: converged after 10 iterations. iteration 12: trace = 6.363911985081294 (0.00304788% change) near maximum in trace linmin: converged after 8 iterations. iteration 13: trace = 6.361499503685843 (0.037916% change) linmin: converged after 7 iterations. iteration 14: trace = 6.36027135349748 (0.0193078% change) linmin: converged after 6 iterations. iteration 15: trace = 6.359373322047383 (0.0141204% change) linmin: converged after 4 iterations. iteration 16: trace = 6.35855732958079 (0.0128322% change) linmin: converged after 5 iterations. iteration 17: trace = 6.357758965533478 (0.0125565% change) linmin: converged after 4 iterations. iteration 18: trace = 6.356950351663157 (0.0127193% change) linmin: converged after 4 iterations. iteration 19: trace = 6.356112163121015 (0.0131863% change) linmin: converged after 4 iterations. iteration 20: trace = 6.355221027897733 (0.0140211% change) linmin: converged after 5 iterations. iteration 21: trace = 6.354246279692957 (0.0153389% change) linmin: converged after 7 iterations. iteration 22: trace = 6.353159856642265 (0.0170991% change) linmin: converged after 5 iterations. iteration 23: trace = 6.351960899259382 (0.0188736% change) linmin: converged after 6 iterations. iteration 24: trace = 6.350699438134904 (0.0198614% change) linmin: converged after 7 iterations. iteration 25: trace = 6.349458077477557 (0.0195487% change) linmin: converged after 5 iterations. iteration 26: trace = 6.348291605894328 (0.0183729% change) linmin: converged after 4 iterations. iteration 27: trace = 6.34719789341557 (0.0172299% change) linmin: converged after 4 iterations. iteration 28: trace = 6.346140664692705 (0.016658% change) linmin: converged after 4 iterations. iteration 29: trace = 6.345081444270764 (0.0166922% change) linmin: converged after 6 iterations. iteration 30: trace = 6.343999288666795 (0.0170565% change) linmin: converged after 8 iterations. iteration 31: trace = 6.342898002201816 (0.017361% change) linmin: converged after 5 iterations. iteration 32: trace = 6.341800697171118 (0.0173012% change) linmin: converged after 7 iterations. iteration 33: trace = 6.340734205414506 (0.0168183% change) linmin: converged after 5 iterations. iteration 34: trace = 6.33971368572808 (0.016096% change) linmin: converged after 5 iterations. iteration 35: trace = 6.338736988232581 (0.0154072% change) linmin: converged after 6 iterations. iteration 36: trace = 6.337788381038601 (0.0149664% change) linmin: converged after 6 iterations. iteration 37: trace = 6.336845738992868 (0.0148745% change) linmin: converged after 6 iterations. iteration 38: trace = 6.335887564106003 (0.0151218% change) linmin: converged after 5 iterations. iteration 39: trace = 6.334899803119841 (0.0155912% change) linmin: converged after 5 iterations. iteration 40: trace = 6.333883398871754 (0.0160458% change) linmin: converged after 7 iterations. iteration 41: trace = 6.332860786517116 (0.0161464% change) linmin: converged after 5 iterations. iteration 42: trace = 6.331873878864389 (0.0155851% change) linmin: converged after 5 iterations. iteration 43: trace = 6.330966881367777 (0.0143253% change) linmin: converged after 5 iterations. iteration 44: trace = 6.330164357925478 (0.012677% change) linmin: converged after 4 iterations. iteration 45: trace = 6.329464426416618 (0.0110577% change) linmin: converged after 4 iterations. iteration 46: trace = 6.328847888420542 (0.00974124% change) linmin: converged after 5 iterations. iteration 47: trace = 6.32828988372113 (0.00881723% change) linmin: converged after 4 iterations. iteration 48: trace = 6.327766921089158 (0.00826423% change) linmin: converged after 5 iterations. iteration 49: trace = 6.327259864958589 (0.00801351% change) linmin: converged after 4 iterations. iteration 50: trace = 6.326755103975183 (0.00797788% change) linmin: converged after 4 iterations. iteration 51: trace = 6.326245117196401 (0.00806112% change) linmin: converged after 6 iterations. iteration 52: trace = 6.325728461773253 (0.00816719% change) linmin: converged after 4 iterations. iteration 53: trace = 6.325208588756622 (0.00821873% change) linmin: converged after 4 iterations. iteration 54: trace = 6.324691250215436 (0.00817933% change) linmin: converged after 4 iterations. iteration 55: trace = 6.324181374306374 (0.008062% change) linmin: converged after 6 iterations. iteration 56: trace = 6.323680907360477 (0.00791386% change) linmin: converged after 4 iterations. iteration 57: trace = 6.323188395290025 (0.00778868% change) linmin: converged after 5 iterations. iteration 58: trace = 6.322699858896263 (0.00772641% change) linmin: converged after 4 iterations. iteration 59: trace = 6.322210009625386 (0.00774777% change) linmin: converged after 4 iterations. iteration 60: trace = 6.321713097538986 (0.00786009% change) linmin: converged after 4 iterations. iteration 61: trace = 6.321203130511794 (0.00806724% change) linmin: converged after 4 iterations. iteration 62: trace = 6.320673555720772 (0.0083781% change) linmin: converged after 5 iterations. iteration 63: trace = 6.320116720804852 (0.00881013% change) linmin: converged after 6 iterations. iteration 64: trace = 6.319523559448256 (0.00938573% change) linmin: converged after 5 iterations. iteration 65: trace = 6.318884020578164 (0.0101206% change) linmin: converged after 6 iterations. iteration 66: trace = 6.318188804775419 (0.0110028% change) linmin: converged after 7 iterations. iteration 67: trace = 6.317432799520505 (0.0119663% change) linmin: converged after 7 iterations. iteration 68: trace = 6.316619714792608 (0.0128713% change) linmin: converged after 5 iterations. iteration 69: trace = 6.315765584707393 (0.0135229% change) resetting CG direction... large trace change predicted (0.188897%) linmin: converged after 4 iterations. iteration 70: trace = 6.303775215283887 (0.190029% change) linmin: converged after 4 iterations. iteration 71: trace = 6.30036008266891 (0.0541907% change) linmin: converged after 4 iterations. iteration 72: trace = 6.299320271825109 (0.0165054% change) linmin: converged after 4 iterations. iteration 73: trace = 6.299061190191026 (0.00411294% change) linmin: converged after 5 iterations. iteration 74: trace = 6.298946775233155 (0.0018164% change) linmin: converged after 7 iterations. iteration 75: trace = 6.298877894192596 (0.00109354% change) linmin: converged after 6 iterations. iteration 76: trace = 6.298793454107139 (0.00134057% change) linmin: converged after 3 iterations. iteration 77: trace = 6.298725861962364 (0.0010731% change) linmin: converged after 5 iterations. iteration 78: trace = 6.29868294733083 (0.000681325% change) linmin: converged after 4 iterations. iteration 79: trace = 6.298642217591597 (0.000646641% change) linmin: converged after 13 iterations. iteration 80: trace = 6.298616556646929 (0.000407405% change) linmin: converged after 4 iterations. iteration 81: trace = 6.298604027893521 (0.000198913% change) linmin: converged after 3 iterations. iteration 82: trace = 6.298598787140605 (8.3205e-05% change) linmin: converged after 10 iterations. iteration 83: trace = 6.298597356051435 (2.27208e-05% change) linmin: converged after 2 iterations. iteration 84: trace = 6.298596365659966 (1.5724e-05% change) linmin: converged after 5 iterations. iteration 85: trace = 6.298595760213274 (9.61241e-06% change) linmin: converged after 7 iterations. iteration 86: trace = 6.298595315608592 (7.05879e-06% change) linmin: converged after 12 iterations. iteration 87: trace = 6.298595099404392 (3.43258e-06% change) linmin: converged after 13 iterations. iteration 88: trace = 6.298595020053137 (1.25982e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.298594974722617 (7.19693e-07% change) linmin: converged after 6 iterations. iteration 90: trace = 6.298594929358501 (7.20226e-07% change) linmin: converged after 13 iterations. iteration 91: trace = 6.298594895494825 (5.37639e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 6.298594877349233 (2.8809e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 6.298594868821886 (1.35385e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 6.298594864524706 (6.82244e-08% change) linmin: converged after 4 iterations. iteration 95: trace = 6.298594862453187 (3.28886e-08% change) linmin: converged after 4 iterations. iteration 96: trace = 6.298594861905778 (8.69096e-09% change) linmin: converged after 5 iterations. iteration 97: trace = 6.298594861732249 (2.75505e-09% change) linmin: converged after 3 iterations. iteration 98: trace = 6.298594861685728 (7.38593e-10% change) linmin: converged after 3 iterations. iteration 99: trace = 6.298594861667213 (2.93954e-10% change) linmin: converged after 4 iterations. iteration 100: trace = 6.298594861658028 (1.45821e-10% change) linmin: converged after 4 iterations. iteration 101: trace = 6.298594861654125 (6.19607e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 elapsed time for k point: 0.3243224620819092 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.3065639871607 (0.575322% change) linmin: converged after 5 iterations. iteration 2: trace = 6.289554233350304 (0.270079% change) linmin: converged after 3 iterations. iteration 3: trace = 6.285540394320863 (0.0638379% change) linmin: converged after 4 iterations. iteration 4: trace = 6.283792833049898 (0.0278067% change) linmin: converged after 4 iterations. iteration 5: trace = 6.282960247915502 (0.0132506% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282722744170227 (0.0037802% change) linmin: converged after 4 iterations. iteration 7: trace = 6.282637992351809 (0.00134898% change) linmin: converged after 3 iterations. iteration 8: trace = 6.282617671090315 (0.000323452% change) linmin: converged after 3 iterations. iteration 9: trace = 6.282612484408521 (8.25561e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 6.282610016564448 (3.92805e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.282609109449679 (1.44385e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.282608783832864 (5.18283e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.282608658505957 (1.99482e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 6.282608607802806 (8.0704e-07% change) linmin: converged after 10 iterations. iteration 15: trace = 6.282608579576478 (4.49277e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 6.282608566246182 (2.12178e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.282608558481405 (1.23592e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.282608555131906 (5.33138e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 6.282608553958246 (1.86811e-08% change) linmin: converged after 9 iterations. iteration 20: trace = 6.282608553518157 (7.00487e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 6.282608553300057 (3.47149e-09% change) linmin: converged after 10 iterations. iteration 22: trace = 6.282608553188997 (1.76774e-09% change) linmin: converged after 10 iterations. iteration 23: trace = 6.282608553137478 (8.20022e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 6.282608553118513 (3.01869e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 6.282608553113039 (8.71269e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 elapsed time for k point: 0.08209943771362305 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.31797506784811 (0.565733% change) linmin: converged after 4 iterations. iteration 2: trace = 6.302973191720346 (0.23773% change) linmin: converged after 4 iterations. iteration 3: trace = 6.299244438394495 (0.0591761% change) linmin: converged after 3 iterations. iteration 4: trace = 6.297766221419135 (0.0234693% change) linmin: converged after 4 iterations. iteration 5: trace = 6.297098741183586 (0.0105992% change) linmin: converged after 3 iterations. iteration 6: trace = 6.296927857601 (0.00271372% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296859980232965 (0.00107795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.296840480940125 (0.000309667% change) linmin: converged after 3 iterations. iteration 9: trace = 6.296835118565341 (8.51598e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.296832556246112 (4.06922e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 6.296831447029666 (1.76155e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.296831011555438 (6.91577e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 6.296830859588107 (2.41339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.296830816318607 (6.87163e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 6.296830799715155 (2.63679e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 6.296830794163726 (8.81623e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 6.296830791811519 (3.73554e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 6.296830790795286 (1.61388e-08% change) linmin: converged after 23 iterations. iteration 19: trace = 6.296830790487538 (4.88734e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 6.296830790381245 (1.68805e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 6.296830790332558 (7.73189e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 6.29683079030516 (4.35116e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 6.296830790293803 (1.80363e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 6.296830790289759 (6.42208e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 elapsed time for k point: 0.0786890983581543 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.373209112052805 (0.562684% change) linmin: converged after 10 iterations. iteration 2: trace = 6.36031616157883 (0.202504% change) linmin: converged after 4 iterations. iteration 3: trace = 6.357504912907773 (0.0442096% change) linmin: converged after 3 iterations. iteration 4: trace = 6.356585097729216 (0.0144692% change) linmin: converged after 3 iterations. iteration 5: trace = 6.35623283030905 (0.00554193% change) linmin: converged after 15 iterations. iteration 6: trace = 6.356142086163289 (0.00142765% change) linmin: converged after 3 iterations. iteration 7: trace = 6.356092254702443 (0.000783992% change) linmin: converged after 3 iterations. iteration 8: trace = 6.356067894803361 (0.000383253% change) linmin: converged after 3 iterations. iteration 9: trace = 6.356057959423483 (0.000156313% change) linmin: converged after 3 iterations. iteration 10: trace = 6.356053442445841 (7.10657e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.356051425803924 (3.17279e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.35605045638662 (1.52519e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 6.356050073440102 (6.02491e-06% change) linmin: converged after 21 iterations. iteration 14: trace = 6.356049967376739 (1.6687e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.356049919529158 (7.52788e-07% change) linmin: converged after 13 iterations. iteration 16: trace = 6.35604990138872 (2.85404e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 6.35604989273501 (1.36149e-07% change) linmin: converged after 6 iterations. iteration 18: trace = 6.356049887839807 (7.70164e-08% change) linmin: converged after 16 iterations. iteration 19: trace = 6.356049885346999 (3.92194e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.356049883857857 (2.34287e-08% change) linmin: converged after 5 iterations. iteration 21: trace = 6.356049883361589 (7.8078e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 6.356049883209118 (2.39883e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 6.356049883160938 (7.5802e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 6.356049883141617 (3.03971e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 6.356049883134011 (1.19671e-10% change) linmin: converged after 20 iterations. iteration 26: trace = 6.356049883130346 (5.76557e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 elapsed time for k point: 0.08529901504516602 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.484406768763917 (0.576704% change) linmin: converged after 5 iterations. iteration 2: trace = 6.471730173735265 (0.195685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.469268167064959 (0.0380497% change) linmin: converged after 4 iterations. iteration 4: trace = 6.468362479663552 (0.0140008% change) linmin: converged after 4 iterations. iteration 5: trace = 6.468081016952982 (0.00435147% change) linmin: converged after 4 iterations. iteration 6: trace = 6.468019507054105 (0.000950981% change) linmin: converged after 4 iterations. iteration 7: trace = 6.467983140882891 (0.000562247% change) linmin: converged after 6 iterations. iteration 8: trace = 6.467960050007157 (0.000357003% change) linmin: converged after 4 iterations. iteration 9: trace = 6.467927172636435 (0.000508313% change) linmin: converged after 13 iterations. iteration 10: trace = 6.467898270580527 (0.000446853% change) linmin: converged after 6 iterations. iteration 11: trace = 6.467871940836138 (0.000407084% change) linmin: converged after 5 iterations. iteration 12: trace = 6.467850751198391 (0.000327614% change) linmin: converged after 6 iterations. iteration 13: trace = 6.46783573451671 (0.000232174% change) linmin: converged after 5 iterations. iteration 14: trace = 6.467812737194985 (0.000355565% change) large trace change predicted (0.000926251%) linmin: converged after 3 iterations. iteration 15: trace = 6.467752878038727 (0.000925497% change) large trace change predicted (0.00336724%) linmin: converged after 6 iterations. iteration 16: trace = 6.46753799228928 (0.00332247% change) large trace change predicted (0.0076428%) linmin: converged after 6 iterations. iteration 17: trace = 6.467054240854877 (0.00747996% change) linmin: converged after 6 iterations. iteration 18: trace = 6.466680782267455 (0.00577495% change) linmin: converged after 4 iterations. iteration 19: trace = 6.466506550440609 (0.00269434% change) linmin: converged after 3 iterations. iteration 20: trace = 6.466437876282423 (0.001062% change) linmin: converged after 3 iterations. iteration 21: trace = 6.466417072559437 (0.000321719% change) linmin: converged after 3 iterations. iteration 22: trace = 6.466410918626344 (9.51676e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 6.466409279496674 (2.53484e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 6.466408508486158 (1.19233e-05% change) linmin: converged after 6 iterations. iteration 25: trace = 6.466407804621172 (1.08849e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 6.466407055854146 (1.15793e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466406660048698 (6.12095e-06% change) linmin: converged after 22 iterations. iteration 28: trace = 6.466406474881694 (2.86352e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 6.466406394954898 (1.23603e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.46640636439996 (4.72518e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 6.466406353483286 (1.68821e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466406348127093 (8.28311e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 6.466406341479104 (1.02808e-07% change) large trace change predicted (2.07292e-07%) linmin: converged after 2 iterations. iteration 34: trace = 6.466406328074751 (2.07292e-07% change) large trace change predicted (4.92859e-07%) linmin: converged after 3 iterations. iteration 35: trace = 6.466406296204647 (4.92857e-07% change) large trace change predicted (1.36404e-06%) linmin: converged after 5 iterations. iteration 36: trace = 6.466406207999212 (1.36406e-06% change) large trace change predicted (3.01548e-06%) linmin: converged after 5 iterations. iteration 37: trace = 6.46640601299846 (3.0156e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466405814967287 (3.06246e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.466405733805704 (1.25513e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 6.466405707718298 (4.0343e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 6.466405697281509 (1.614e-07% change) linmin: converged after 13 iterations. iteration 42: trace = 6.466405689115234 (1.26288e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 6.466405679855011 (1.43205e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.46640567344509 (9.91265e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 6.46640566942723 (6.21344e-08% change) linmin: converged after 2 iterations. iteration 46: trace = 6.466405667382235 (3.16249e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 6.466405666183872 (1.85321e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 6.466405665511933 (1.03912e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 6.466405664657936 (1.32067e-08% change) large trace change predicted (3.62453e-08%) linmin: converged after 19 iterations. iteration 50: trace = 6.46640566231416 (3.62454e-08% change) large trace change predicted (1.23507e-07%) linmin: converged after 2 iterations. iteration 51: trace = 6.466405654327716 (1.23507e-07% change) large trace change predicted (2.49094e-07%) linmin: converged after 2 iterations. iteration 52: trace = 6.466405638220102 (2.49097e-07% change) linmin: converged after 15 iterations. iteration 53: trace = 6.46640561690482 (3.29631e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 6.466405589348653 (4.26143e-07% change) linmin: converged after 17 iterations. iteration 55: trace = 6.466405565244271 (3.72763e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 6.466405553442849 (1.82504e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.466405548893452 (7.03543e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 6.466405546942659 (3.01681e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.466405546067048 (1.35409e-08% change) linmin: converged after 8 iterations. iteration 60: trace = 6.466405545765806 (4.65856e-09% change) linmin: converged after 5 iterations. iteration 61: trace = 6.466405545618406 (2.27948e-09% change) linmin: converged after 2 iterations. iteration 62: trace = 6.466405545535219 (1.28645e-09% change) linmin: converged after 6 iterations. iteration 63: trace = 6.466405545465581 (1.07691e-09% change) linmin: converged after 3 iterations. iteration 64: trace = 6.466405545408771 (8.78549e-10% change) linmin: converged after 6 iterations. iteration 65: trace = 6.466405545374389 (5.31692e-10% change) linmin: converged after 3 iterations. iteration 66: trace = 6.46640554535702 (2.68607e-10% change) linmin: converged after 3 iterations. iteration 67: trace = 6.466405545351025 (9.27131e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 .elapsed time for k point: 0.1795516014099121 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840947 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454924 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513126 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618369 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.8161730293674935 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140956 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.8385562359606974 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.922084942589803 at Vector3<0.0, 0.0, 0.0> Band 6 range: 1.0168656683915518 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418322 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 1.0184507253059405 at Vector3<0.0, 0.0, 0.0> to 1.159370227370717 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 1.1636719050364357 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.2433411839871045 at Vector3<0.0, 0.0, 0.0> Gap from band 3 (0.7880878930618369) to band 4 (0.8161730293674935), 3.501317761094284% Gap from band 5 (0.922084942589803) to band 6 (1.0168656683915518), 9.776497169649693% Gap from band 7 (1.159370227370717) to band 8 (1.1636719050364357), 0.37034865667815786% total elapsed time for run: 2.217390298843384 done /tmp/meepREy4kN/test_honey_rods-0: 3.36s /tmp/meepREy4kN/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 224 x 1. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (6.06218, -3.5, 0) (0, 0, 1) Cell volume = 6.06218 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.0824786, -0.142857, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 9 object nodes (vs. 8 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 6 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.10000000000000005, 0.3500000000000001, 0.0> Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Vector3<0.5000000000000002, 1.7500000000000004, 0.0> elapsed time for initialization: 0.012367010116577148 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12 Solving for bands 2 to 7... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 1.196766755531371 (199.611% change) linmin: converged after 9 iterations. iteration 2: trace = 0.3074317174581362 (118.247% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2844524853025028 (7.76477% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2812371807197147 (1.13677% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2805321379624338 (0.251008% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2804620372438204 (0.0249916% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2804497808436873 (0.00437017% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2804487080528694 (0.000382526% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2804485287729162 (6.39261e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2804485117540451 (6.06845e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2804485091314656 (9.35138e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.2804485089210546 (7.50266e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 0.2804485089016316 (6.92566e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 0.2804485088974183 (1.50234e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.280448508897056 (1.29213e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2804485088969927 (2.25648e-11% change) Finished solving for bands 2 to 7 after 16 iterations. Solving for bands 8 to 12... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.347589494002308 (197.909% change) linmin: converged after 8 iterations. iteration 2: trace = 1.508143754927554 (112.007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308852038496591 (14.1492% change) linmin: converged after 6 iterations. iteration 4: trace = 1.247987481329314 (4.76092% change) linmin: converged after 6 iterations. iteration 5: trace = 1.226166609693982 (1.76391% change) linmin: converged after 4 iterations. iteration 6: trace = 1.220205207652076 (0.487367% change) linmin: converged after 5 iterations. iteration 7: trace = 1.218622738880585 (0.129773% change) linmin: converged after 5 iterations. iteration 8: trace = 1.217964901842141 (0.0539966% change) linmin: converged after 4 iterations. iteration 9: trace = 1.217640474833321 (0.0266404% change) linmin: converged after 5 iterations. iteration 10: trace = 1.217144671073517 (0.0407267% change) large trace change predicted (0.10801%) linmin: converged after 6 iterations. iteration 11: trace = 1.215926777209398 (0.100112% change) linmin: converged after 5 iterations. iteration 12: trace = 1.21494306055586 (0.0809354% change) linmin: converged after 4 iterations. iteration 13: trace = 1.214347551188201 (0.0490274% change) linmin: converged after 4 iterations. iteration 14: trace = 1.213914363082433 (0.0356789% change) linmin: converged after 4 iterations. iteration 15: trace = 1.213500547607448 (0.0340952% change) linmin: converged after 4 iterations. iteration 16: trace = 1.212959722484555 (0.0445773% change) linmin: converged after 4 iterations. iteration 17: trace = 1.212519538880448 (0.0362966% change) linmin: converged after 4 iterations. iteration 18: trace = 1.212248726511907 (0.0223372% change) linmin: converged after 3 iterations. iteration 19: trace = 1.212140684769636 (0.0089129% change) linmin: converged after 3 iterations. iteration 20: trace = 1.21209965011612 (0.00338536% change) linmin: converged after 3 iterations. iteration 21: trace = 1.212045003915321 (0.00450849% change) linmin: converged after 4 iterations. iteration 22: trace = 1.211966020314501 (0.00651677% change) linmin: converged after 3 iterations. iteration 23: trace = 1.211907378935235 (0.00483865% change) linmin: converged after 3 iterations. iteration 24: trace = 1.211861221840146 (0.0038087% change) linmin: converged after 3 iterations. iteration 25: trace = 1.211829202049092 (0.00264223% change) linmin: converged after 3 iterations. iteration 26: trace = 1.21180954111795 (0.00162243% change) linmin: converged after 3 iterations. iteration 27: trace = 1.211778805378119 (0.00253638% change) linmin: converged after 3 iterations. iteration 28: trace = 1.211738643161125 (0.00331437% change) linmin: converged after 3 iterations. iteration 29: trace = 1.211698946648681 (0.00327605% change) linmin: converged after 3 iterations. iteration 30: trace = 1.211675291898183 (0.00195222% change) linmin: converged after 3 iterations. iteration 31: trace = 1.211662280999265 (0.0010738% change) linmin: converged after 3 iterations. iteration 32: trace = 1.211643382935975 (0.00155969% change) linmin: converged after 4 iterations. iteration 33: trace = 1.21162659993771 (0.00138515% change) linmin: converged after 6 iterations. iteration 34: trace = 1.21161407808561 (0.00103348% change) linmin: converged after 9 iterations. iteration 35: trace = 1.211602453572232 (0.000959428% change) linmin: converged after 3 iterations. iteration 36: trace = 1.211598303616196 (0.000342519% change) linmin: converged after 3 iterations. iteration 37: trace = 1.211596448980703 (0.000153074% change) linmin: converged after 4 iterations. iteration 38: trace = 1.211594613228861 (0.000151515% change) linmin: converged after 3 iterations. iteration 39: trace = 1.211592534410096 (0.000171577% change) linmin: converged after 4 iterations. iteration 40: trace = 1.211590947234652 (0.000130999% change) linmin: converged after 3 iterations. iteration 41: trace = 1.211590215638785 (6.03831e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 1.211589891729974 (2.67342e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 1.211589741312141 (1.24149e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 1.211589683153448 (4.8002e-06% change) linmin: converged after 2 iterations. iteration 45: trace = 1.211589639031559 (3.64165e-06% change) linmin: converged after 4 iterations. iteration 46: trace = 1.211589594611466 (3.66627e-06% change) linmin: converged after 2 iterations. iteration 47: trace = 1.211589568398538 (2.16352e-06% change) linmin: converged after 2 iterations. iteration 48: trace = 1.211589556366786 (9.93055e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 1.211589549124783 (5.97727e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.211589544167536 (4.09152e-07% change) linmin: converged after 2 iterations. iteration 51: trace = 1.211589539501808 (3.85091e-07% change) linmin: converged after 2 iterations. iteration 52: trace = 1.211589533344353 (5.08213e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 1.2115895245724 (7.24004e-07% change) linmin: converged after 2 iterations. iteration 54: trace = 1.211589518683372 (4.86058e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 1.211589515923037 (2.27828e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 1.211589512935396 (2.46589e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 1.211589509905531 (2.50074e-07% change) linmin: converged after 4 iterations. iteration 58: trace = 1.211589507242201 (2.19821e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 1.211589504813927 (2.00421e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 1.211589503458421 (1.11878e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 1.211589502828578 (5.19848e-08% change) linmin: converged after 24 iterations. iteration 62: trace = 1.211589502438186 (3.22214e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 1.211589502003778 (3.58544e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 1.211589501370286 (5.2286e-08% change) linmin: converged after 3 iterations. iteration 65: trace = 1.211589501031969 (2.79234e-08% change) linmin: converged after 2 iterations. iteration 66: trace = 1.211589500878294 (1.26838e-08% change) linmin: converged after 18 iterations. iteration 67: trace = 1.211589500792745 (7.06086e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.211589500767784 (2.06018e-09% change) linmin: converged after 3 iterations. iteration 69: trace = 1.211589500755964 (9.75586e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 1.211589500751477 (3.7031e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 1.211589500746379 (4.20745e-10% change) linmin: converged after 3 iterations. iteration 72: trace = 1.21158950073995 (5.3065e-10% change) linmin: converged after 4 iterations. iteration 73: trace = 1.211589500735595 (3.59424e-10% change) linmin: converged after 15 iterations. iteration 74: trace = 1.211589500732076 (2.90515e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 1.211589500730084 (1.64409e-10% change) linmin: converged after 11 iterations. iteration 76: trace = 1.211589500729295 (6.50599e-11% change) Finished solving for bands 8 to 12 after 76 iterations. Finished k-point with 39.6667 mean iterations/band. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123 elapsed time for k point: 2.037008047103882 Fixing e-field (band 1) phase by 1 + -0i; max ampl. = 0 Fixing e-field (band 2) phase by 0.934778 + -0.355231i; max ampl. = 0.36443 Fixing e-field (band 3) phase by 0.41377 + -0.910381i; max ampl. = 0.363694 Fixing e-field (band 4) phase by -0.042412 + 0.9991i; max ampl. = 0.40619 Fixing e-field (band 5) phase by -0.829535 + -0.558455i; max ampl. = 0.458526 Fixing e-field (band 6) phase by -0.636619 + -0.771179i; max ampl. = 0.461015 Fixing e-field (band 7) phase by -0.696974 + 0.717096i; max ampl. = 0.87849 Fixing e-field (band 8) phase by -0.801423 + 0.598098i; max ampl. = 0.582082 Fixing e-field (band 9) phase by 0.502154 + -0.864778i; max ampl. = 0.503748 Fixing e-field (band 10) phase by 0.833535 + -0.552467i; max ampl. = 0.514872 Fixing e-field (band 11) phase by 0.701379 + -0.712788i; max ampl. = 0.525048 Fixing e-field (band 12) phase by -0.711256 + 0.702933i; max ampl. = 0.596428 Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b01.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b02.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b03.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b04.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b05.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b06.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b07.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b08.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b09.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b10.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b11.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b12.z.tm.h5... solve_kpoint (0.1,0.35,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.1859754481091571 (4.37841% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1858559071650498 (0.0642985% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1858523719592242 (0.00190214% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1858522794619532 (4.97692e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1858522774470825 (1.08412e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1858522773945271 (2.8278e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1858522773930405 (7.99891e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1858522773929406 (5.37482e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.339583206387591 (1.2622% change) linmin: converged after 5 iterations. iteration 2: trace = 1.33063762646289 (0.670025% change) linmin: converged after 5 iterations. iteration 3: trace = 1.326359143522661 (0.322054% change) linmin: converged after 5 iterations. iteration 4: trace = 1.324059417054412 (0.173537% change) linmin: converged after 5 iterations. iteration 5: trace = 1.322335659994526 (0.130272% change) linmin: converged after 4 iterations. iteration 6: trace = 1.321900842351137 (0.032888% change) linmin: converged after 4 iterations. iteration 7: trace = 1.321789582191756 (0.00841703% change) linmin: converged after 4 iterations. iteration 8: trace = 1.321750554891683 (0.00295265% change) linmin: converged after 4 iterations. iteration 9: trace = 1.321739521847602 (0.000834733% change) linmin: converged after 7 iterations. iteration 10: trace = 1.321725729409737 (0.00104351% change) linmin: converged after 5 iterations. iteration 11: trace = 1.321717827626583 (0.00059784% change) linmin: converged after 5 iterations. iteration 12: trace = 1.32171560796717 (0.000167938% change) linmin: converged after 5 iterations. iteration 13: trace = 1.321714313062121 (9.79716e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.321713670509397 (4.86151e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.32171316783871 (3.80317e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.321712690347692 (3.61267e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.321712534925773 (1.17591e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.32171245068789 (6.37339e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 1.321712392022149 (4.43862e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 1.321712300288242 (6.94053e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.321712123338643 (1.33879e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.321712019292177 (7.8721e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 1.321711840507829 (1.35267e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.321711646564235 (1.46737e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.321711536307098 (8.342e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 1.32171148827869 (3.6338e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.321711471300697 (1.28455e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.321711467138154 (3.14936e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.321711466116505 (7.72975e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.321711465723412 (2.97412e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.321711465580959 (1.07779e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 1.321711465510915 (5.29947e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.321711465480889 (2.27175e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.321711465470897 (7.55973e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 1.321711465466495 (3.33089e-10% change) linmin: converged after 8 iterations. iteration 36: trace = 1.32171146546497 (1.15398e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.321711465463821 (8.68885e-11% change) Finished solving for bands 7 to 12 after 37 iterations. Finished k-point with 22.5 mean iterations/band. tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413 elapsed time for k point: 1.3620507717132568 Fixing e-field (band 1) phase by -1 + 2.71695e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.066234 + 0.997804i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08291e-07i; max ampl. = 0.357513 Fixing e-field (band 4) phase by -0.00791593 + -0.999969i; max ampl. = 0.410959 Fixing e-field (band 5) phase by -1 + 1.15887e-06i; max ampl. = 0.464942 Fixing e-field (band 6) phase by 0.000719579 + 1i; max ampl. = 0.463983 Fixing e-field (band 7) phase by 1 + 1.05398e-08i; max ampl. = 0.893105 Fixing e-field (band 8) phase by -1 + 4.80899e-06i; max ampl. = 0.585113 Fixing e-field (band 9) phase by 2.4463e-05 + -1i; max ampl. = 0.51118 Fixing e-field (band 10) phase by 1 + 8.06478e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03316e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314817 + -1i; max ampl. = 0.377816 Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b01.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b02.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b03.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b04.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b05.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b06.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b07.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b08.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b09.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b10.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b11.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.2388580307782937 (6.66113% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2385221713841857 (0.140709% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2385114100977178 (0.00451175% change) linmin: converged after 2 iterations. iteration 4: trace = 0.2385111473622856 (0.000110156% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2385111400807255 (3.05292e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2385111399219119 (6.65854e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2385111399179209 (1.6733e-09% change) linmin: converged after 16 iterations. iteration 8: trace = 0.2385111399178055 (4.83867e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.328636670014931 (1.75254% change) linmin: converged after 5 iterations. iteration 2: trace = 1.320923404607837 (0.58223% change) linmin: converged after 5 iterations. iteration 3: trace = 1.318308076151315 (0.198189% change) linmin: converged after 4 iterations. iteration 4: trace = 1.317956425802998 (0.0266779% change) linmin: converged after 4 iterations. iteration 5: trace = 1.317882727769513 (0.005592% change) linmin: converged after 5 iterations. iteration 6: trace = 1.317830321381881 (0.00397664% change) linmin: converged after 21 iterations. iteration 7: trace = 1.317816402663161 (0.00105619% change) linmin: converged after 6 iterations. iteration 8: trace = 1.317806033886662 (0.000786818% change) linmin: converged after 4 iterations. iteration 9: trace = 1.317799113944952 (0.000525112% change) linmin: converged after 5 iterations. iteration 10: trace = 1.317797254181904 (0.000141127% change) linmin: converged after 5 iterations. iteration 11: trace = 1.317796412532883 (6.38679e-05% change) linmin: converged after 11 iterations. iteration 12: trace = 1.317796108435783 (2.30762e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.317796055321211 (4.03056e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.317796024477034 (2.34059e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.317796013257453 (8.5139e-07% change) linmin: converged after 23 iterations. iteration 16: trace = 1.317796004201295 (6.8722e-07% change) large trace change predicted (1.71406e-06%) linmin: converged after 3 iterations. iteration 17: trace = 1.317795981613608 (1.71405e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.317795944624388 (2.8069e-06% change) large trace change predicted (6.37234e-06%) linmin: converged after 8 iterations. iteration 19: trace = 1.317795860651614 (6.37221e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.317795777380738 (6.31895e-06% change) linmin: converged after 32 iterations. iteration 21: trace = 1.317795748000609 (2.22949e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 1.317795733123444 (1.12894e-06% change) linmin: converged after 6 iterations. iteration 23: trace = 1.317795727441454 (4.31174e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.317795724798878 (2.0053e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.317795723846541 (7.22674e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.317795723608524 (1.80617e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.317795723503125 (7.99815e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.31779572343886 (4.87671e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.317795723419225 (1.48995e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 1.317795723411641 (5.75501e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.317795723409147 (1.89273e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.317795723408442 (5.35315e-11% change) Finished solving for bands 7 to 12 after 32 iterations. Finished k-point with 20 mean iterations/band. tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423 elapsed time for k point: 1.273317813873291 Fixing e-field (band 1) phase by 1 + -6.69684e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 1.41132e-11 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.03294e-14i; max ampl. = 0.3761 Fixing e-field (band 4) phase by -8.77229e-10 + -1i; max ampl. = 0.424925 Fixing e-field (band 5) phase by 1 + 1.3145e-13i; max ampl. = 0.480327 Fixing e-field (band 6) phase by 4.91261e-10 + -1i; max ampl. = 0.472091 Fixing e-field (band 7) phase by 1 + -1.06369e-12i; max ampl. = 0.919529 Fixing e-field (band 8) phase by -1 + -1.64856e-11i; max ampl. = 0.593898 Fixing e-field (band 9) phase by 1.07569e-07 + 1i; max ampl. = 0.521242 Fixing e-field (band 10) phase by -1 + 3.83354e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.75025e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.939e-06 + -1i; max ampl. = 0.473136 Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b01.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b02.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b03.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b04.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b05.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b06.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b07.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b08.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b09.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b10.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b11.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b12.z.tm.h5... solve_kpoint (0.3,1.05,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3105199359398265 (8.73919% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3098465068863809 (0.217107% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3098220243218767 (0.00790183% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3098213546274155 (0.000216155% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3098213374848054 (5.53306e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3098213371379585 (1.11951e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3098213371286766 (2.99587e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3098213371284358 (7.77246e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.321059189060651 (2.52198% change) linmin: converged after 5 iterations. iteration 2: trace = 1.312228993706477 (0.670659% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308669436105089 (0.271629% change) linmin: converged after 5 iterations. iteration 4: trace = 1.307528168194402 (0.0872463% change) linmin: converged after 4 iterations. iteration 5: trace = 1.307108376361817 (0.0321109% change) linmin: converged after 4 iterations. iteration 6: trace = 1.306967612816993 (0.0107697% change) linmin: converged after 4 iterations. iteration 7: trace = 1.30692104687625 (0.00356296% change) linmin: converged after 8 iterations. iteration 8: trace = 1.306903167954464 (0.00136803% change) linmin: converged after 4 iterations. iteration 9: trace = 1.306896582410012 (0.000503906% change) linmin: converged after 5 iterations. iteration 10: trace = 1.306894468922138 (0.000161718% change) linmin: converged after 5 iterations. iteration 11: trace = 1.306893729338946 (5.65909e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.306893106680217 (4.76442e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.306892656103195 (3.4477e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.306892370720252 (2.18368e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.306892063537916 (2.35048e-05% change) linmin: converged after 9 iterations. iteration 16: trace = 1.306891774918915 (2.20844e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.306891306571564 (3.58367e-05% change) large trace change predicted (0.0001439%) linmin: converged after 4 iterations. iteration 18: trace = 1.306889428974656 (0.000143669% change) large trace change predicted (0.000647089%) linmin: converged after 6 iterations. iteration 19: trace = 1.306881342171474 (0.000618784% change) near maximum in trace linmin: converged after 11 iterations. iteration 20: trace = 1.306841864904205 (0.00302077% change) linmin: converged after 6 iterations. iteration 21: trace = 1.306814317233515 (0.00210798% change) linmin: converged after 6 iterations. iteration 22: trace = 1.306780215571889 (0.00260956% change) linmin: converged after 9 iterations. iteration 23: trace = 1.306736702748669 (0.00332983% change) linmin: converged after 7 iterations. iteration 24: trace = 1.306707761476099 (0.0022148% change) linmin: converged after 6 iterations. iteration 25: trace = 1.306694949828091 (0.000980457% change) linmin: converged after 4 iterations. iteration 26: trace = 1.30668757171687 (0.000564641% change) linmin: converged after 5 iterations. iteration 27: trace = 1.306683169654682 (0.000336888% change) linmin: converged after 4 iterations. iteration 28: trace = 1.306680460975612 (0.000207294% change) linmin: converged after 4 iterations. iteration 29: trace = 1.306678613935068 (0.000141354% change) linmin: converged after 3 iterations. iteration 30: trace = 1.306677292065234 (0.000101163% change) linmin: converged after 6 iterations. iteration 31: trace = 1.306676263755384 (7.86966e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.306675403278145 (6.58524e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 1.306674672970374 (5.58905e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 1.306674108884319 (4.31696e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 1.306673737709854 (2.84061e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 1.306673513940721 (1.71251e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.306673362527367 (1.15877e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 1.306673228425955 (1.02628e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 1.306673109717042 (9.08482e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 1.306673026782846 (6.34697e-06% change) linmin: converged after 4 iterations. iteration 41: trace = 1.306672971288233 (4.24702e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.306672931203616 (3.06769e-06% change) linmin: converged after 9 iterations. iteration 43: trace = 1.306672900421495 (2.35576e-06% change) linmin: converged after 3 iterations. iteration 44: trace = 1.306672873955922 (2.02542e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 1.306672849955027 (1.83679e-06% change) linmin: converged after 2 iterations. iteration 46: trace = 1.306672828035896 (1.67748e-06% change) linmin: converged after 21 iterations. iteration 47: trace = 1.306672808497717 (1.49526e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 1.306672792920187 (1.19215e-06% change) linmin: converged after 2 iterations. iteration 49: trace = 1.30667278073184 (9.32777e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.306672769623505 (8.50124e-07% change) linmin: converged after 5 iterations. iteration 51: trace = 1.30667275827252 (8.68694e-07% change) linmin: converged after 8 iterations. iteration 52: trace = 1.306672746664947 (8.88331e-07% change) linmin: converged after 7 iterations. iteration 53: trace = 1.306672734231314 (9.51549e-07% change) linmin: converged after 6 iterations. iteration 54: trace = 1.306672719747275 (1.10847e-06% change) linmin: converged after 8 iterations. iteration 55: trace = 1.306672703451232 (1.24714e-06% change) linmin: converged after 2 iterations. iteration 56: trace = 1.306672685743829 (1.35515e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 1.306672664172661 (1.65085e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 1.306672633622723 (2.33799e-06% change) linmin: converged after 13 iterations. iteration 59: trace = 1.306672591449286 (3.22754e-06% change) linmin: converged after 15 iterations. iteration 60: trace = 1.306672545946202 (3.48236e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 1.306672503494355 (3.24885e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 1.306672460331878 (3.30324e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 1.306672416045949 (3.38921e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 1.306672371448651 (3.41304e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 1.306672322019688 (3.78281e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 1.306672266767598 (4.22846e-06% change) linmin: converged after 3 iterations. iteration 67: trace = 1.306672213731368 (4.05888e-06% change) linmin: converged after 9 iterations. iteration 68: trace = 1.306672169731838 (3.3673e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.306672130569276 (2.99712e-06% change) resetting CG direction... large trace change predicted (6.25477e-06%) linmin: converged after 5 iterations. iteration 70: trace = 1.306672048840626 (6.25472e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.306672012693929 (2.76632e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 1.306672000098197 (9.63955e-07% change) linmin: converged after 2 iterations. iteration 73: trace = 1.306671995811054 (3.28096e-07% change) linmin: converged after 2 iterations. iteration 74: trace = 1.306671993004206 (2.14809e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 1.306671990402459 (1.99112e-07% change) linmin: converged after 2 iterations. iteration 76: trace = 1.306671989145292 (9.62114e-08% change) linmin: converged after 3 iterations. iteration 77: trace = 1.306671988469853 (5.16916e-08% change) linmin: converged after 2 iterations. iteration 78: trace = 1.306671987976323 (3.777e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 1.306671987242599 (5.61521e-08% change) large trace change predicted (1.12943e-07%) linmin: converged after 3 iterations. iteration 80: trace = 1.306671985766801 (1.12943e-07% change) large trace change predicted (2.49995e-07%) linmin: converged after 3 iterations. iteration 81: trace = 1.306671982500196 (2.49994e-07% change) large trace change predicted (5.4192e-07%) linmin: converged after 13 iterations. iteration 82: trace = 1.306671975419139 (5.41915e-07% change) linmin: converged after 3 iterations. iteration 83: trace = 1.306671966776745 (6.61405e-07% change) linmin: converged after 24 iterations. iteration 84: trace = 1.306671961713351 (3.87503e-07% change) linmin: converged after 8 iterations. iteration 85: trace = 1.306671959299024 (1.84769e-07% change) linmin: converged after 3 iterations. iteration 86: trace = 1.306671956817022 (1.89948e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 1.30667195512776 (1.2928e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 1.306671954377645 (5.74065e-08% change) linmin: converged after 11 iterations. iteration 89: trace = 1.306671954035937 (2.6151e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 1.306671953899616 (1.04327e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.306671953836784 (4.80857e-09% change) linmin: converged after 2 iterations. iteration 92: trace = 1.306671953798474 (2.93184e-09% change) linmin: converged after 2 iterations. iteration 93: trace = 1.306671953790935 (5.76951e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 1.306671953788971 (1.50355e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 1.306671953788115 (6.55086e-11% change) Finished solving for bands 7 to 12 after 95 iterations. Finished k-point with 51.5 mean iterations/band. tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567 elapsed time for k point: 3.179008722305298 Fixing e-field (band 1) phase by 1 + -8.43945e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -7.36728e-12 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -1.0166e-15i; max ampl. = 0.420136 Fixing e-field (band 4) phase by 7.50961e-12 + 1i; max ampl. = 0.446788 Fixing e-field (band 5) phase by 1 + 2.94128e-15i; max ampl. = 0.496332 Fixing e-field (band 6) phase by -9.24666e-12 + 1i; max ampl. = 0.481878 Fixing e-field (band 7) phase by 1 + 2.60727e-13i; max ampl. = 0.896831 Fixing e-field (band 8) phase by 1.09737e-10 + -1i; max ampl. = 0.458802 Fixing e-field (band 9) phase by -1 + -1.96696e-11i; max ampl. = 0.495105 Fixing e-field (band 10) phase by 1 + -2.47558e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -9.51712e-12 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -7.63476e-11i; max ampl. = 0.423458 Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b01.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b02.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b03.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b04.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b05.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b06.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b07.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b08.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b09.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b10.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b11.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.3762985016867429 (10.9545% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3750342117371676 (0.336546% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3749816076769493 (0.0140275% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3749802749522109 (0.000355411% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3749802409984997 (9.0548e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3749802404009222 (1.59362e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.374980240382886 (4.8099e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3749802403822894 (1.59096e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3749802403822776 (3.1532e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.298011037461321 (3.05087% change) linmin: converged after 5 iterations. iteration 2: trace = 1.290256309342349 (0.599222% change) linmin: converged after 5 iterations. iteration 3: trace = 1.288297984129212 (0.151893% change) linmin: converged after 4 iterations. iteration 4: trace = 1.2878772301764 (0.032665% change) linmin: converged after 4 iterations. iteration 5: trace = 1.287688339079885 (0.0146679% change) linmin: converged after 4 iterations. iteration 6: trace = 1.287483849723766 (0.0158816% change) large trace change predicted (0.0565887%) linmin: converged after 7 iterations. iteration 7: trace = 1.28685287243285 (0.0490206% change) large trace change predicted (1.10957%) linmin: converged after 8 iterations. iteration 8: trace = 1.285207985881854 (0.127904% change) linmin: converged after 5 iterations. iteration 9: trace = 1.283531768705405 (0.130509% change) linmin: converged after 9 iterations. iteration 10: trace = 1.280537500864398 (0.233556% change) linmin: converged after 8 iterations. iteration 11: trace = 1.277572726481115 (0.231794% change) linmin: converged after 7 iterations. iteration 12: trace = 1.27563734746484 (0.151604% change) linmin: converged after 7 iterations. iteration 13: trace = 1.274202245367086 (0.112564% change) linmin: converged after 7 iterations. iteration 14: trace = 1.273022593346836 (0.0926225% change) linmin: converged after 8 iterations. iteration 15: trace = 1.272080215540049 (0.0740542% change) linmin: converged after 5 iterations. iteration 16: trace = 1.271347536034896 (0.0576135% change) linmin: converged after 7 iterations. iteration 17: trace = 1.270883530901358 (0.0365038% change) linmin: converged after 4 iterations. iteration 18: trace = 1.270618409224059 (0.0208634% change) linmin: converged after 4 iterations. iteration 19: trace = 1.270378371119911 (0.0188932% change) linmin: converged after 6 iterations. iteration 20: trace = 1.270104933606682 (0.0215264% change) linmin: converged after 6 iterations. iteration 21: trace = 1.269895617099838 (0.0164816% change) linmin: converged after 5 iterations. iteration 22: trace = 1.269782882629827 (0.00887785% change) linmin: converged after 3 iterations. iteration 23: trace = 1.269719750601914 (0.004972% change) linmin: converged after 6 iterations. iteration 24: trace = 1.269676766106199 (0.00338541% change) linmin: converged after 7 iterations. iteration 25: trace = 1.269642283512467 (0.00271589% change) linmin: converged after 5 iterations. iteration 26: trace = 1.269619087274533 (0.00182701% change) linmin: converged after 4 iterations. iteration 27: trace = 1.269607472587991 (0.000914821% change) linmin: converged after 8 iterations. iteration 28: trace = 1.269600759456913 (0.000528758% change) linmin: converged after 5 iterations. iteration 29: trace = 1.269595125006646 (0.000443798% change) linmin: converged after 9 iterations. iteration 30: trace = 1.269590376565027 (0.000374013% change) linmin: converged after 5 iterations. iteration 31: trace = 1.269587297957729 (0.000242489% change) linmin: converged after 6 iterations. iteration 32: trace = 1.269585545816303 (0.000138009% change) linmin: converged after 5 iterations. iteration 33: trace = 1.269584427090121 (8.81175e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.269583608532466 (6.44745e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 1.269583043842748 (4.44784e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 1.269582710117841 (2.62862e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.269582517553401 (1.51675e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.269582385116398 (1.04315e-05% change) linmin: converged after 11 iterations. iteration 39: trace = 1.269582283098437 (8.03555e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 1.269582214888568 (5.37262e-06% change) linmin: converged after 3 iterations. iteration 41: trace = 1.269582174660363 (3.16862e-06% change) linmin: converged after 12 iterations. iteration 42: trace = 1.269582148208323 (2.08352e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 1.269582127622132 (1.62149e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 1.269582111947448 (1.23463e-06% change) linmin: converged after 2 iterations. iteration 45: trace = 1.269582102245771 (7.64163e-07% change) linmin: converged after 4 iterations. iteration 46: trace = 1.26958209678698 (4.29968e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 1.269582093349534 (2.70754e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 1.269582091147356 (1.73457e-07% change) linmin: converged after 20 iterations. iteration 49: trace = 1.269582089806961 (1.05578e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.269582088919776 (6.98801e-08% change) linmin: converged after 6 iterations. iteration 51: trace = 1.269582088275121 (5.07769e-08% change) linmin: converged after 3 iterations. iteration 52: trace = 1.269582087760951 (4.04992e-08% change) linmin: converged after 12 iterations. iteration 53: trace = 1.269582087362723 (3.13669e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 1.269582087136648 (1.78071e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 1.269582087016091 (9.49576e-09% change) linmin: converged after 9 iterations. iteration 56: trace = 1.269582086921614 (7.44162e-09% change) linmin: converged after 9 iterations. iteration 57: trace = 1.269582086848892 (5.72801e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 1.269582086810662 (3.01122e-09% change) linmin: converged after 6 iterations. iteration 59: trace = 1.269582086792638 (1.4197e-09% change) linmin: converged after 3 iterations. iteration 60: trace = 1.269582086781325 (8.91094e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 1.269582086771858 (7.45616e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 1.269582086763084 (6.91153e-10% change) linmin: converged after 4 iterations. iteration 63: trace = 1.269582086756867 (4.89638e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 1.269582086753405 (2.72733e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 1.269582086751192 (1.74266e-10% change) linmin: converged after 9 iterations. iteration 66: trace = 1.269582086749747 (1.13857e-10% change) linmin: converged after 4 iterations. iteration 67: trace = 1.269582086748959 (6.2053e-11% change) Finished solving for bands 7 to 12 after 67 iterations. Finished k-point with 38 mean iterations/band. tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447 elapsed time for k point: 2.30314564704895 Fixing e-field (band 1) phase by 1 + -1.73164e-16i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -3.3667e-12 + -1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by 1 + 2.01153e-15i; max ampl. = 0.464954 Fixing e-field (band 4) phase by 4.86528e-12 + 1i; max ampl. = 0.46974 Fixing e-field (band 5) phase by 1 + 6.49208e-15i; max ampl. = 0.505749 Fixing e-field (band 6) phase by -1.59948e-11 + 1i; max ampl. = 0.483913 Fixing e-field (band 7) phase by 1 + 3.73227e-14i; max ampl. = 0.643734 Fixing e-field (band 8) phase by 4.02684e-12 + 1i; max ampl. = 0.465166 Fixing e-field (band 9) phase by -1 + 6.87358e-14i; max ampl. = 0.43823 Fixing e-field (band 10) phase by 1.98569e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + -3.00146e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by 1.05977e-13 + -1i; max ampl. = 0.443866 Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b01.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b02.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b03.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b04.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b05.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b06.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b07.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b08.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b09.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b10.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b11.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b12.z.tm.h5... solve_kpoint (0.5,1.75,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.4044979732169223 (13.7656% change) linmin: converged after 4 iterations. iteration 2: trace = 0.4025034611955529 (0.494302% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4024212890120757 (0.0204174% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4024194033576305 (0.000468578% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4024193544035438 (1.21649e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4024193537759778 (1.55948e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4024193537536845 (5.5398e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4024193537529454 (1.83672e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4024193537529305 (3.71068e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.246579896079849 (3.2355% change) linmin: converged after 5 iterations. iteration 2: trace = 1.241420423793717 (0.414749% change) linmin: converged after 5 iterations. iteration 3: trace = 1.240323895101215 (0.0883676% change) linmin: converged after 4 iterations. iteration 4: trace = 1.240074667273184 (0.0200958% change) linmin: converged after 4 iterations. iteration 5: trace = 1.24004995523007 (0.00199281% change) linmin: converged after 4 iterations. iteration 6: trace = 1.240046276550807 (0.000296656% change) linmin: converged after 13 iterations. iteration 7: trace = 1.240045445498693 (6.70179e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 1.240045287286182 (1.27586e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.240045263300231 (1.93428e-06% change) linmin: converged after 29 iterations. iteration 10: trace = 1.240045258080157 (4.20958e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 1.240045257186147 (7.2095e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 1.240045257084782 (8.17431e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 1.2400452570647 (1.61945e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 1.240045257061235 (2.7939e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 1.24004525706096 (2.21857e-11% change) Finished solving for bands 7 to 12 after 15 iterations. Finished k-point with 12 mean iterations/band. tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569 elapsed time for k point: 0.712446928024292 Fixing e-field (band 1) phase by 1 + -2.00047e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.32784e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by 1 + -1.40064e-17i; max ampl. = 0.462198 Fixing e-field (band 4) phase by -2.01924e-11 + -1i; max ampl. = 0.471227 Fixing e-field (band 5) phase by 1 + -5.35018e-15i; max ampl. = 0.472309 Fixing e-field (band 6) phase by 2.80754e-11 + 1i; max ampl. = 0.476607 Fixing e-field (band 7) phase by 1 + 9.0298e-16i; max ampl. = 0.600013 Fixing e-field (band 8) phase by 1.76087e-12 + -1i; max ampl. = 0.468917 Fixing e-field (band 9) phase by 1 + 1.7165e-16i; max ampl. = 0.508553 Fixing e-field (band 10) phase by -5.29416e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + -1.64417e-14i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 3.04706e-13 + 1i; max ampl. = 0.465525 ..Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b01.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b02.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b03.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b04.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b05.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b06.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b07.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b08.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b09.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b10.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b11.z.tm.h5... Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2563501053544447 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542215 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278226 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616924004 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 4 range: 0.19143758098896266 at Vector3<0.0, 0.0, 0.0> to 0.25957071278987937 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 5 range: 0.20907741437429694 at Vector3<0.0, 0.0, 0.0> to 0.26470695742810507 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 6 range: 0.25276899480758896 at Vector3<0.0, 0.0, 0.0> to 0.27082126366760045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 7 range: 0.33733710311255866 at Vector3<0.0, 0.0, 0.0> to 0.442497664916943 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 8 range: 0.4482627765538221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4683903271760484 at Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Band 9 range: 0.4514954029529221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.47131948362277304 at Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Band 10 range: 0.45640253677801607 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49648508869253005 at Vector3<0.0, 0.0, 0.0> Band 11 range: 0.46290665804314135 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49948776938324185 at Vector3<0.0, 0.0, 0.0> Band 12 range: 0.4656904639721246 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661458 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.33733710311255866), 21.8745126527225% Gap from band 7 (0.442497664916943) to band 8 (0.4482627765538221), 1.2944247113983016% total elapsed time for run: 11.106508731842041 done /tmp/meepREy4kN/test_line_defect-0: 11.11s /tmp/meepREy4kN/test_list_split-0 ======================== /tmp/meepREy4kN/test_list_split-0: 0.00s /tmp/meepREy4kN/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001378774642944336 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13854646682739258 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.38701510429382324 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08516550064086914 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07859563827514648 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09092950820922852 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1416785717010498 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10733532905578613 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09091782569885254 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0784916877746582 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07512259483337402 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07520580291748047 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05935335159301758 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06915068626403809 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09500670433044434 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11126303672790527 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24773001670837402 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9340400695800781 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014221668243408203 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1398935317993164 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3904457092285156 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08611154556274414 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07909512519836426 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.0919487476348877 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14281010627746582 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10796666145324707 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09171557426452637 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07906675338745117 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0758206844329834 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07544684410095215 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.0599365234375 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06948089599609375 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09500765800476074 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11142826080322266 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.2468400001525879 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9455921649932861 done /tmp/meepREy4kN/test_load_and_save_eigenvectors-0: 3.88s /tmp/meepREy4kN/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.252786, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009672641754150391 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4898474331528383 (198.799% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2634327276606197 (60.1143% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2256354401058421 (15.4569% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2118795772470987 (6.28818% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2093240519911654 (1.21344% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2091127254372625 (0.101008% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2090852588528238 (0.0131357% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2090837640052219 (0.000714949% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2090835745606499 (9.06071e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.209083529405388 (2.15968e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2090835264202496 (1.42773e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2090835262060447 (1.02449e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2090835261751921 (1.47561e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2090835261708315 (2.08559e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2090835261706046 (1.08522e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2090835261705098 (4.53204e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.004388093948364258 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2098651202886062 (4.6103% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2077435553715469 (1.01605% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2065876445984869 (0.557965% change) large trace change predicted (1.26308%) linmin: converged after 5 iterations. iteration 4: trace = 0.2036945327837802 (1.4103% change) linmin: converged after 7 iterations. iteration 5: trace = 0.2020820274046518 (0.794775% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2017151357863381 (0.181721% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2016398542630094 (0.0373277% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2015598361330475 (0.0396916% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2014449638068836 (0.0570079% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2014122707810966 (0.0162306% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2014087537596145 (0.0017462% change) linmin: converged after 15 iterations. iteration 12: trace = 0.2014078549180843 (0.000446278% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2014061973776658 (0.00082298% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2014048838687256 (0.000652171% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2014047218138699 (8.04623e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2014047010268015 (1.0321e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 0.2014046853812204 (7.76823e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 0.201404660765346 (1.22221e-05% change) linmin: converged after 11 iterations. iteration 19: trace = 0.2014046519845329 (4.35979e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2014046509574838 (5.09943e-07% change) linmin: converged after 7 iterations. iteration 21: trace = 0.2014046507829159 (8.66752e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.2014046504702771 (1.55229e-07% change) linmin: converged after 21 iterations. iteration 23: trace = 0.201404650217115 (1.25698e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 0.2014046501748755 (2.09725e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 0.2014046501695867 (2.62594e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.2014046501671034 (1.23299e-09% change) large trace change predicted (2.54495e-09%) linmin: converged after 11 iterations. iteration 27: trace = 0.2014046501619765 (2.54556e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 0.201404650160167 (8.98439e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2014046501599492 (1.08167e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 0.201404650159914 (1.74605e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 elapsed time for k point: 0.01603984832763672 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1886993853589348 (5.81613% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1879329654030555 (0.406986% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1879019987162396 (0.0164789% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1879007700599346 (0.000653884% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1879007324411779 (2.00205e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.187900730110987 (1.24012e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1879007300208395 (4.79761e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1879007300173998 (1.83059e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1879007300173185 (4.32802e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 elapsed time for k point: 0.005142688751220703 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.177090620447409 (5.09773% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1768676334153295 (0.125996% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1768576072264843 (0.00566891% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1768571937062109 (0.000233816% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1768571846110659 (5.14265e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.17685718426356 (1.9649e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1768571842571168 (3.64315e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.176857184256887 (1.29897e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1768571842568802 (3.84498e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 elapsed time for k point: 0.005079746246337891 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1703028333697424 (5.07332% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1701701834280546 (0.077921% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1701632888796343 (0.00405164% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1701630475985811 (0.000141794% change) linmin: converged after 2 iterations. iteration 5: trace = 0.170163043820658 (2.22018e-06% change) linmin: converged after 26 iterations. iteration 6: trace = 0.1701630436796942 (8.28404e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1701630436771921 (1.47042e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.1701630436771221 (4.11041e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 elapsed time for k point: 0.0045928955078125 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1680722256068113 (5.13139% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1679599575333087 (0.0668198% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1679544178043843 (0.0032983% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1679542046758051 (0.000126897% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1679542018800741 (1.66458e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1679542017770075 (6.13659e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1679542017749324 (1.23554e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.167954201774869 (3.77281e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 elapsed time for k point: 0.004571437835693359 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. iteration 1: trace = 0.1727907851940615 (0.90973% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1727441194082773 (0.0270108% change) linmin: converged after 5 iterations. iteration 3: trace = 0.172742290671633 (0.00105864% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1727422490693743 (2.40834e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1727422479861119 (6.27098e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1727422479682355 (1.03486e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1727422479677768 (2.65501e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1727422479677606 (9.39956e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 elapsed time for k point: 0.00466465950012207 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1860989381524436 (1.56232% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1859976762889476 (0.0544277% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1859938669738662 (0.00204807% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1859937714047326 (5.1383e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1859937688937456 (1.35004e-06% change) linmin: converged after 20 iterations. iteration 6: trace = 0.1859937688390201 (2.94233e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1859937688378915 (6.06808e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1859937688378515 (2.15337e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 elapsed time for k point: 0.004602670669555664 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.204398857278778 (2.75517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2041523986067431 (0.12065% change) linmin: converged after 2 iterations. iteration 3: trace = 0.2041422878985797 (0.00495265% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2041420493962594 (0.000116831% change) linmin: converged after 2 iterations. iteration 5: trace = 0.204142041499828 (3.86811e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2041420413330259 (8.17088e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.204142041329127 (1.90987e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2041420413289723 (7.57989e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 elapsed time for k point: 0.004552125930786133 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2213300955570094 (4.3094% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2207839638738396 (0.247055% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2207589339831465 (0.0113375% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2207583808306992 (0.000250569% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2207583584069987 (1.01576e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.220758357912076 (2.24192e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2207583578975028 (6.60144e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2207583578967375 (3.46633e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2207583578967242 (6.03496e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 elapsed time for k point: 0.005081892013549805 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2286358930851747 (5.87517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2277546866636135 (0.386163% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2277132378226158 (0.0182006% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2277123246168996 (0.000401034% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2277122854063269 (1.72193e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2277122844171639 (4.34392e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2277122843860133 (1.36798e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2277122843842668 (7.66961e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2277122843842428 (1.05556e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 elapsed time for k point: 0.005123138427734375 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2240217978987306 (8.03377% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2227325966086012 (0.577141% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2221794028707296 (0.248676% change) large trace change predicted (1.12179%) linmin: converged after 6 iterations. iteration 4: trace = 0.2201021533223285 (0.939334% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2194887472932667 (0.27908% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2194646258573113 (0.0109904% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2194635570027366 (0.000487029% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2194633146452799 (0.000110432% change) large trace change predicted (0.00027517%) linmin: converged after 6 iterations. iteration 9: trace = 0.2194627106479067 (0.000275216% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2194625034252833 (9.44227e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2194624959688223 (3.3976e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2194624957143563 (1.1595e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2194624956685689 (2.08635e-08% change) large trace change predicted (5.35737e-08%) linmin: converged after 2 iterations. iteration 14: trace = 0.2194624955509947 (5.35737e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.2194624955026465 (2.20302e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 0.2194624955005199 (9.69019e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 0.2194624955004418 (3.56141e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 elapsed time for k point: 0.009250164031982422 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2048270491097952 (7.89384% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2042255888086185 (0.294075% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2042030572713608 (0.0110333% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2042021613101474 (0.000438761% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2042021401646438 (1.03552e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2042021396348914 (2.59426e-07% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2042021396248773 (4.90403e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2042021396245604 (1.55196e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2042021396245495 (5.31455e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 elapsed time for k point: 0.005097150802612305 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1961694955193463 (6.14128% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1959410036458176 (0.116545% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1959317156392236 (0.00474032% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1959313940592608 (0.000164129% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1959313856969012 (4.268e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1959313854375356 (1.32376e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.195931385431126 (3.27138e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1959313854307266 (2.03834e-10% change) linmin: converged after 7 iterations. iteration 9: trace = 0.1959313854307188 (4.00897e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 elapsed time for k point: 0.0050983428955078125 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2014853855724111 (5.75945% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2008264904582411 (0.327554% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2007788953842623 (0.0237024% change) linmin: converged after 4 iterations. iteration 4: trace = 0.200774994456563 (0.00194292% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2007748543968735 (6.97596e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2007748486133257 (2.88061e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2007748484344859 (8.90748e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2007748484304172 (2.02647e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2007748484302034 (1.06516e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2007748484301817 (1.08105e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 elapsed time for k point: 0.005632877349853516 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2122718724222841 (4.82659% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2094216112500319 (1.35182% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2091030511365138 (0.15223% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2090846371542949 (0.00880656% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2090836304333473 (0.000481491% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2090835247433784 (5.05491e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2090835130860209 (5.57545e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.20908351233741 (3.58044e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2090835122673797 (3.34939e-08% change) linmin: converged after 12 iterations. iteration 10: trace = 0.2090835122583799 (4.3044e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 0.209083512257221 (5.54292e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2090835122571488 (3.45147e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.003274679183959961 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992222 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.35120083530511803 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897039 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992222) to band 2 (0.35120083530511803), 34.044042557162825% total elapsed time for run: 0.09386730194091797 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.347214, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0012097358703613281 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4343181010737095 (198.885% change) linmin: converged after 12 iterations. iteration 2: trace = 0.1466798479702049 (99.0152% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1367387884266781 (7.01511% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1336076174223981 (2.31641% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1327039030623742 (0.67869% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326703124348133 (0.0253157% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1326539772352652 (0.0123134% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1326531685227361 (0.000609642% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1326529640371999 (0.000154151% change) linmin: converged after 3 iterations. iteration 10: trace = 0.1326529337762072 (2.28122e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.1326529311517259 (1.97846e-06% change) linmin: converged after 18 iterations. iteration 12: trace = 0.1326529297895758 (1.02685e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.1326529296923191 (7.33166e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.1326529296662335 (1.96646e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1326529296624067 (2.8848e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1326529296621591 (1.86637e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1326529296620271 (9.95329e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 elapsed time for k point: 0.004603385925292969 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.1330276952346082 (5.99259% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1318813366874199 (0.865473% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1308680471843932 (0.771297% change) large trace change predicted (1.92882%) linmin: converged after 5 iterations. iteration 4: trace = 0.128304306929748 (1.97841% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1276263878962662 (0.529768% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1275322440298945 (0.0737924% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1275021778548772 (0.0235781% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1274414865517367 (0.0476115% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1274120300325395 (0.0231164% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1274093849400094 (0.00207604% change) linmin: converged after 5 iterations. iteration 11: trace = 0.1274090082736754 (0.000295635% change) linmin: converged after 13 iterations. iteration 12: trace = 0.1274085198427984 (0.000383357% change) linmin: converged after 4 iterations. iteration 13: trace = 0.1274080628429791 (0.000358689% change) linmin: converged after 5 iterations. iteration 14: trace = 0.1274079792683117 (6.55961e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 0.1274079726496398 (5.19486e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 0.1274079698067216 (2.23135e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 0.1274079642222976 (4.3831e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 0.1274079624506347 (1.39054e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.1274079623179862 (1.04113e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 0.1274079622924786 (2.00204e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 0.1274079622440727 (3.79928e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.1274079622155672 (2.23734e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 0.1274079622132353 (1.83032e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 0.1274079622129696 (2.08546e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 0.1274079622125829 (3.03528e-10% change) linmin: converged after 20 iterations. iteration 26: trace = 0.1274079622122151 (2.8867e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 0.1274079622121569 (4.56827e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 elapsed time for k point: 0.014455795288085938 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1175895698985854 (8.46358% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1169854373382419 (0.515087% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1169634629343659 (0.0187856% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1169624287919833 (0.000884162% change) linmin: converged after 15 iterations. iteration 5: trace = 0.1169623892439103 (3.38126e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1169623870108744 (1.90919e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1169623869324882 (6.70183e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1169623869302093 (1.94843e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1169623869301465 (5.37255e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 elapsed time for k point: 0.005099058151245117 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1076617181330985 (7.39497% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1074867217773472 (0.162675% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1074797532363015 (0.00648337% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1074794560989978 (0.000276459% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1074794492025648 (6.41651e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1074794489996317 (1.88811e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1074794489927401 (6.41204e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1074794489925578 (1.69638e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1074794489925547 (2.87938e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 elapsed time for k point: 0.005133867263793945 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1014137083501608 (7.0899% change) linmin: converged after 3 iterations. iteration 2: trace = 0.1013434149944228 (0.0693375% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1013402349806177 (0.00313791% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1013401302210901 (0.000103374% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1013401281880725 (2.00613e-06% change) linmin: converged after 21 iterations. iteration 6: trace = 0.1013401281491232 (3.84342e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1013401281478892 (1.21771e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1013401281478577 (3.10586e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 elapsed time for k point: 0.00458526611328125 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.09929517146312491 (6.9708% change) linmin: converged after 3 iterations. iteration 2: trace = 0.09924752556066022 (0.0479956% change) linmin: converged after 3 iterations. iteration 3: trace = 0.09924547743477752 (0.00206368% change) linmin: converged after 2 iterations. iteration 4: trace = 0.09924540340840851 (7.45892e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.09924540237232149 (1.04396e-06% change) linmin: converged after 27 iterations. iteration 6: trace = 0.09924540235031715 (2.21716e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.0992454023496615 (6.60627e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.09924540234965068 (1.0907e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 elapsed time for k point: 0.004602193832397461 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1023748756355368 (0.938618% change) linmin: converged after 4 iterations. iteration 2: trace = 0.10234483009841 (0.0293529% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1023441319883404 (0.000682118% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1023441118540878 (1.96731e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1023441112170787 (6.22419e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1023441112108164 (6.11888e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1023441112106436 (1.68821e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1023441112106414 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 elapsed time for k point: 0.004568576812744141 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1111648725369592 (1.70677% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1111022041294547 (0.0563902% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1111005428817409 (0.00149525% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1111004887965007 (4.86814e-05% change) linmin: converged after 11 iterations. iteration 5: trace = 0.1111004875283868 (1.14141e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1111004875048891 (2.115e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1111004875044872 (3.61795e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1111004875044771 (9.06861e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 elapsed time for k point: 0.004571676254272461 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1238434803057007 (3.06251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1236602488077916 (0.148064% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1236554311291923 (0.00389598% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1236552618867514 (0.000136866% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1236552585512283 (2.69744e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1236552584722953 (6.38331e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1236552584710226 (1.02924e-09% change) linmin: converged after 9 iterations. iteration 8: trace = 0.1236552584709829 (3.20752e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 elapsed time for k point: 0.004536628723144531 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.1365861283694175 (4.90629% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1360353991956018 (0.404025% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1360216616314292 (0.010099% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1360211293759799 (0.000391303% change) linmin: converged after 6 iterations. iteration 5: trace = 0.136021117748354 (8.5484e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1360211172989073 (3.30424e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.136021117275474 (1.72277e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1360211172747932 (5.00461e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1360211172747791 (1.03659e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 elapsed time for k point: 0.0050678253173828125 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1427907515851958 (7.20068% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1416129588617777 (0.828254% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1415842924679495 (0.0202448% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1415827791943139 (0.00106882% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1415827277312479 (3.63484e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1415827249602425 (1.95716e-06% change) linmin: converged after 7 iterations. iteration 7: trace = 0.1415827248205369 (9.86742e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1415827248187983 (1.22794e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1415827248187514 (3.31108e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 elapsed time for k point: 0.005124807357788086 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.139128512598051 (10.1029% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1378170044816252 (0.947124% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1377216292272727 (0.0692282% change) large trace change predicted (0.351976%) linmin: converged after 6 iterations. iteration 4: trace = 0.1372856158281962 (0.317092% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1366576168038859 (0.458488% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1366119030153259 (0.0334569% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1366103217876671 (0.00115747% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1366097453256683 (0.000421976% change) large trace change predicted (0.0013334%) linmin: converged after 5 iterations. iteration 9: trace = 0.1366079217893784 (0.00133486% change) linmin: converged after 6 iterations. iteration 10: trace = 0.1366070298222958 (0.000652942% change) linmin: converged after 4 iterations. iteration 11: trace = 0.1366069869567786 (3.13787e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1366069853873101 (1.14889e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.136606984352414 (7.57572e-07% change) large trace change predicted (2.51117e-06%) linmin: converged after 7 iterations. iteration 14: trace = 0.1366069809219635 (2.51118e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1366069801728979 (5.48336e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1366069801486565 (1.77453e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1366069801469442 (1.25345e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 0.1366069801444114 (1.85406e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 0.1366069801394009 (3.6678e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 0.1366069801387251 (4.94739e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 0.1366069801387 (1.8347e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 elapsed time for k point: 0.011221885681152344 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1288477330212029 (10.0415% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1283196778719535 (0.41067% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1283049547472065 (0.0114744% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1283044898205979 (0.000362361% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1283044779202521 (9.27508e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1283044775632081 (2.78279e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1283044775566784 (5.08924e-09% change) linmin: converged after 12 iterations. iteration 8: trace = 0.1283044775564042 (2.13687e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1283044775563505 (4.18591e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 elapsed time for k point: 0.0051271915435791016 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1253721759990562 (8.44741% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1250731667431224 (0.238782% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1250655728028864 (0.00607178% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1250652918569694 (0.000224639% change) linmin: converged after 24 iterations. iteration 5: trace = 0.1250652868137379 (4.03248e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1250652866511762 (1.29981e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1250652866473551 (3.05531e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1250652866471705 (1.47605e-10% change) linmin: converged after 7 iterations. iteration 9: trace = 0.125065286647159 (9.16566e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 elapsed time for k point: 0.0050809383392333984 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1294353344754178 (8.78986% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1287958675499608 (0.495267% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1287444978499471 (0.0398925% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1287432352198245 (0.00098073% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1287431529997959 (6.38636e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1287431505713914 (1.88624e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1287431504657529 (8.20537e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1287431504623983 (2.60558e-09% change) linmin: converged after 6 iterations. iteration 9: trace = 0.1287431504622696 (9.99901e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 elapsed time for k point: 0.005068540573120117 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1366524581132343 (4.3465% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1330957028213662 (2.63709% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1326683867029226 (0.321576% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1326585108523264 (0.00744429% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1326532168393765 (0.00399079% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326529644658705 (0.000190251% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1326529514655156 (9.80028e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1326529455152222 (4.48561e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1326529452762264 (1.80166e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 0.1326529452646071 (8.75921e-09% change) linmin: converged after 7 iterations. iteration 11: trace = 0.1326529452610045 (2.71582e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1326529452608697 (1.01562e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1326529452608119 (4.36045e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 elapsed time for k point: 0.003546476364135742 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2186225691051753 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474916 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458684 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2186225691051753) to band 2 (0.25999614437474916), 17.288741164655384% total elapsed time for run: 0.09433579444885254 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.194427, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009036064147949219 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 0.6549253906200143 (198.431% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3091275545744975 (71.7383% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3021663145641905 (2.27754% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3010091523576726 (0.38369% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2989636350397318 (0.68187% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2983048314779293 (0.220606% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2982588060176778 (0.0154302% change) linmin: converged after 3 iterations. iteration 8: trace = 0.298256042683861 (0.000926493% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2982542423263998 (0.00060363% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2982522951543164 (0.000652859% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2982519775108616 (0.000106502% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2982519598579505 (5.91879e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2982519583456514 (5.07054e-07% change) linmin: converged after 15 iterations. iteration 14: trace = 0.2982519560571799 (7.67295e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2982519551981037 (2.88037e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 0.2982519551550086 (1.44492e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 0.2982519551524458 (8.59287e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 0.2982519551507772 (5.59445e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 0.2982519551491578 (5.42991e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2982519551490034 (5.17418e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.005392789840698242 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2966250315366553 (4.81134% change) linmin: converged after 6 iterations. iteration 2: trace = 0.2810412199538802 (5.39544% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2797075559501458 (0.475673% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2796368858730388 (0.0252689% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2796049788771749 (0.0114108% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2795924192270245 (0.00449203% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2795912768509242 (0.000408587% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2795911968916416 (2.85986e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2795911512747801 (1.63156e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2795911392192883 (4.31183e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.279591138056747 (4.158e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2795911379221785 (4.81304e-08% change) linmin: converged after 27 iterations. iteration 13: trace = 0.2795911378697254 (1.87606e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 0.2795911378501708 (6.99401e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2795911378480385 (7.62667e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2795911378478668 (6.13898e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 elapsed time for k point: 0.00876164436340332 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.262285041991294 (3.26212% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2613364588441809 (0.362316% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2611888623243493 (0.0564935% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2611845433419114 (0.0016536% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2611842511623715 (0.000111867% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2611842413682735 (3.74988e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 0.261184240987902 (1.45633e-07% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2611842409520096 (1.37422e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2611842409471598 (1.85689e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2611842409470008 (6.08704e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 elapsed time for k point: 0.005620241165161133 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2495890152828732 (3.71776% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2491349626349514 (0.182086% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2491001185963264 (0.013987% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2490994092373555 (0.000284769% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2490993783901632 (1.23835e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.2490993774714976 (3.68795e-07% change) linmin: converged after 17 iterations. iteration 7: trace = 0.2490993774413398 (1.21067e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2490993774400472 (5.18911e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2490993774400128 (1.37943e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 elapsed time for k point: 0.005136013031005859 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2427649179615225 (4.12003% change) linmin: converged after 4 iterations. iteration 2: trace = 0.242459580028427 (0.125854% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2424461076700271 (0.00555669% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2424457235513505 (0.000158435% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2424457147102562 (3.64663e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2424457144963569 (8.82257e-08% change) linmin: converged after 8 iterations. iteration 7: trace = 0.2424457144901444 (2.56241e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.242445714489984 (6.61589e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 elapsed time for k point: 0.004572868347167969 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2406037838644215 (4.34726% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2403528913598912 (0.104331% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2403446058300958 (0.00344729% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2403442785818099 (0.000136158% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2403442726085168 (2.48531e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2403442724382664 (7.08361e-08% change) linmin: converged after 7 iterations. iteration 7: trace = 0.2403442724330158 (2.1846e-09% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2403442724329466 (2.88129e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 elapsed time for k point: 0.004561662673950195 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2478650541659824 (0.665976% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2478153067195069 (0.0200724% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2478136011813217 (0.000688232% change) linmin: converged after 9 iterations. iteration 4: trace = 0.2478135705407395 (1.23644e-05% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2478135698495617 (2.7891e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.247813569828165 (8.63421e-09% change) linmin: converged after 14 iterations. iteration 7: trace = 0.2478135698278286 (1.35724e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2478135698278218 (2.76645e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 elapsed time for k point: 0.004579067230224609 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2689523558126344 (1.15158% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2687965094237142 (0.0579625% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2687923010456907 (0.00156565% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2687921865479118 (4.25971e-05% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2687921840676181 (9.22755e-07% change) linmin: converged after 16 iterations. iteration 6: trace = 0.2687921840087602 (2.18972e-08% change) linmin: converged after 10 iterations. iteration 7: trace = 0.2687921840070877 (6.22226e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2687921840070467 (1.52412e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 elapsed time for k point: 0.004629373550415039 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2988641621313887 (2.11503% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2984227993488109 (0.147789% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2984110530872358 (0.00393619% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2984106728909142 (0.000127407% change) linmin: converged after 8 iterations. iteration 5: trace = 0.2984106621553148 (3.59759e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.298410661911048 (8.18559e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2984106619038381 (2.4161e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2984106619036122 (7.56926e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 elapsed time for k point: 0.00455927848815918 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3278879623914513 (3.57107% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3268031317976849 (0.331402% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3267703883056816 (0.0100198% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3267691490121234 (0.000379256% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3267691042855297 (1.36875e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.3267691033363587 (2.90471e-07% change) linmin: converged after 20 iterations. iteration 7: trace = 0.3267691033112133 (7.69517e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3267691033102657 (2.89983e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3267691033102509 (4.51878e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 elapsed time for k point: 0.0051043033599853516 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3410949974631013 (5.35228% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3391984614179793 (0.557564% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3391366043905772 (0.0182379% change) linmin: converged after 4 iterations. iteration 4: trace = 0.339134207757369 (0.000706689% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3391341108700711 (2.8569e-05% change) linmin: converged after 13 iterations. iteration 6: trace = 0.3391341089176967 (5.75694e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3391341088659968 (1.52447e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3391341088634661 (7.46223e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3391341088633691 (2.85958e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 elapsed time for k point: 0.005089759826660156 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3320175035443904 (7.19666% change) linmin: converged after 5 iterations. iteration 2: trace = 0.32885221764261 (0.957915% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3263796244791458 (0.754723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.3219901164799807 (1.35401% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3215485300393172 (0.137237% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3215259880095883 (0.00701071% change) linmin: converged after 4 iterations. iteration 7: trace = 0.321524056913301 (0.000600605% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3215211961989128 (0.00088974% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3215198890578126 (0.00040655% change) linmin: converged after 5 iterations. iteration 10: trace = 0.3215197879153993 (3.14576e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.3215197847617491 (9.80857e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 0.3215197841679537 (1.84684e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.321519783062564 (3.43801e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 0.321519782785553 (8.61567e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 0.3215197827696911 (4.93344e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 0.3215197827690932 (1.85947e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.3215197827688706 (6.92336e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 elapsed time for k point: 0.009225606918334961 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2914724979423134 (6.31106% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2901669297397642 (0.448927% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2901228936895049 (0.0151773% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2901214428380559 (0.000500083% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2901214024217765 (1.39308e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2901214014190728 (3.45615e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2901214013741388 (1.5488e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2901214013724249 (5.90755e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2901214013723648 (2.07219e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 elapsed time for k point: 0.005106687545776367 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2714938962778228 (4.17227% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2709002793369421 (0.218888% change) linmin: converged after 4 iterations. iteration 3: trace = 0.270862840327649 (0.0138212% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2708607902378602 (0.000756877% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2708607279884342 (2.29821e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2708607259652259 (7.46955e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2708607258906749 (2.75237e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2708607258855507 (1.89183e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2708607258851874 (1.34136e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 0.2708607258851711 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 elapsed time for k point: 0.005654335021972656 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.275727883707746 (3.37811% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2752294374122133 (0.180938% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2751077523722808 (0.044222% change) linmin: converged after 4 iterations. iteration 4: trace = 0.275094762042982 (0.00472202% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2750943791629711 (0.000139181% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2750943682465168 (3.96826e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.275094367781892 (1.68897e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 0.275094367703044 (2.86622e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2750943676888276 (5.16783e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 0.2750943676881246 (2.55546e-10% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2750943676881146 (3.63221e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 elapsed time for k point: 0.006120920181274414 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3063507184996812 (2.00508% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031319400186664 (1.05623% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2988994850147804 (1.40606% change) linmin: converged after 8 iterations. iteration 4: trace = 0.2982983429994932 (0.201321% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2982585418778202 (0.0133436% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2982566127600081 (0.000646796% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982536607041398 (0.000989775% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2982520309344616 (0.000546439% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2982519600533238 (2.37655e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2982519569354715 (1.04538e-06% change) linmin: converged after 7 iterations. iteration 11: trace = 0.2982519563685401 (1.90085e-07% change) linmin: converged after 16 iterations. iteration 12: trace = 0.2982519553645638 (3.3662e-07% change) linmin: converged after 10 iterations. iteration 13: trace = 0.2982519551600099 (6.85843e-08% change) linmin: converged after 22 iterations. iteration 14: trace = 0.2982519551499672 (3.36716e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2982519551494953 (1.58241e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2982519551492224 (9.14974e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.004311084747314453 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856945 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943924 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610293 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856945) to band 2 (0.42411505161943924), 39.1000855456212% total elapsed time for run: 0.0900275707244873 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.161094, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009088516235351562 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 0.8865138653874612 (197.906% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3200046970003622 (93.9081% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3068086580978387 (4.21052% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3030326413122449 (1.23836% change) linmin: converged after 3 iterations. iteration 5: trace = 0.3026141893486451 (0.138183% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3025973435560046 (0.00556691% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3025960087856283 (0.000441105% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025957149074368 (9.7119e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3025956971360175 (5.87299e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 0.3025956960690346 (3.5261e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 0.3025956959599987 (3.60335e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959421134 (5.91063e-09% change) linmin: converged after 7 iterations. iteration 13: trace = 0.3025956959407101 (4.63743e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 0.3025956959406486 (2.03262e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 elapsed time for k point: 0.0038537979125976562 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.304694850544768 (3.77829% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3012169493975252 (1.14799% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3009374600602785 (0.0928298% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3009299252030405 (0.00250383% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3009297396741477 (6.16519e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.30092972116028 (6.15222e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3009297179658467 (1.06152e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3009297177077819 (8.57558e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3009297177020471 (1.90569e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3009297177018309 (7.18493e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 elapsed time for k point: 0.005670070648193359 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2993772621931762 (4.06065% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2971754981861197 (0.738162% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2969647758505132 (0.0709335% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2969599541881608 (0.00162366% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2969598407822387 (3.8189e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2969598364647942 (1.45388e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2969598362066004 (8.69457e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.296959836184407 (7.47356e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2969598361819389 (8.31116e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2969598361818409 (3.30121e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 elapsed time for k point: 0.00560450553894043 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2938435215784341 (4.30612% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2927441839095635 (0.374825% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2926467105733512 (0.033302% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2926449733559747 (0.000593624% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2926449193562999 (1.84523e-05% change) linmin: converged after 13 iterations. iteration 6: trace = 0.292644917689337 (5.6962e-07% change) linmin: converged after 35 iterations. iteration 7: trace = 0.2926449175856842 (3.54193e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2926449175810242 (1.59239e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2926449175807107 (1.07136e-10% change) linmin: converged after 17 iterations. iteration 10: trace = 0.2926449175807007 (3.41438e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 elapsed time for k point: 0.005624532699584961 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2901150873109321 (4.44251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2895449449297268 (0.196716% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2895150953299019 (0.0103097% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2895144114344814 (0.000236221% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2895143963165008 (5.22184e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2895143959258291 (1.3494e-07% change) linmin: converged after 19 iterations. iteration 7: trace = 0.2895143959126527 (4.55123e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2895143959121476 (1.74463e-10% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2895143959121311 (5.67547e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 elapsed time for k point: 0.0051116943359375 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.288803400262168 (4.49556% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2883971863650514 (0.140753% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2883890967942879 (0.00280505% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2883886834700361 (0.000143322% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2883886769569957 (2.25842e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2883886767783875 (6.19331e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2883886767738498 (1.57349e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2883886767737718 (2.70252e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 elapsed time for k point: 0.004580020904541016 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2982501673194342 (0.506108% change) linmin: converged after 3 iterations. iteration 2: trace = 0.2982104738003746 (0.0133097% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2982086460163033 (0.000612919% change) linmin: converged after 23 iterations. iteration 4: trace = 0.2982086207857152 (8.46072e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2982086197260261 (3.55352e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.298208619695097 (1.03716e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2982086196943675 (2.44637e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982086196943483 (6.44075e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 elapsed time for k point: 0.004553794860839844 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3266367774016526 (0.830279% change) linmin: converged after 3 iterations. iteration 2: trace = 0.3265044430836116 (0.0405224% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3264980604168627 (0.00195487% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3264979266586152 (4.09676e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3264979229973254 (1.12138e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3264979228246051 (5.29009e-08% change) linmin: converged after 15 iterations. iteration 7: trace = 0.3264979228224313 (6.65798e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3264979228223415 (2.75092e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 elapsed time for k point: 0.004549264907836914 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.3695365223764 (1.48558% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3690894962296903 (0.121043% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3690670482003574 (0.00608219% change) linmin: converged after 9 iterations. iteration 4: trace = 0.369066437746191 (0.000165405% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3690664179900577 (5.353e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3690664173327335 (1.78105e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3690664173183388 (3.9003e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3690664173180317 (8.32066e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 elapsed time for k point: 0.004576206207275391 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.4173499292601254 (2.62841% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4156434788169446 (0.409715% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4155485977073974 (0.0228301% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4155449430743093 (0.000879476% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4155448032643572 (3.3645e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4155448000759097 (7.67293e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4155447999425277 (3.20981e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4155447999216207 (5.03121e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4155447999210303 (1.42083e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.4155447999210046 (6.19841e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 elapsed time for k point: 0.00558924674987793 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.4460423269353659 (5.07015% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4401376357000977 (1.33262% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4398345567490911 (0.0688838% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4398187039759408 (0.00360432% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4398182310628918 (0.000107525% change) linmin: converged after 3 iterations. iteration 6: trace = 0.4398182203781182 (2.42936e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4398182200041564 (8.50264e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.4398182199097659 (2.14613e-08% change) linmin: converged after 6 iterations. iteration 9: trace = 0.4398182199058903 (8.81187e-10% change) linmin: converged after 5 iterations. iteration 10: trace = 0.4398182199057518 (3.14904e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 elapsed time for k point: 0.0056018829345703125 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4254304940104555 (7.90763% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4154061158898801 (2.38438% change) linmin: converged after 5 iterations. iteration 3: trace = 0.4086474339536491 (1.64035% change) linmin: converged after 5 iterations. iteration 4: trace = 0.4030720876492543 (1.37371% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4025050595480553 (0.140776% change) linmin: converged after 4 iterations. iteration 6: trace = 0.4024773504470213 (0.0068844% change) linmin: converged after 3 iterations. iteration 7: trace = 0.4024758244070205 (0.000379162% change) linmin: converged after 4 iterations. iteration 8: trace = 0.4024756354882399 (4.69392e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 0.40247550442241 (3.25649e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 0.4024754425634778 (1.53696e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.4024754386798522 (9.64935e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 0.4024754384625262 (5.39973e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 0.4024754384481776 (3.56508e-09% change) linmin: converged after 7 iterations. iteration 14: trace = 0.4024754384464003 (4.41592e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 0.4024754384452956 (2.74483e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.4024754384447274 (1.41166e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.4024754384446911 (9.03404e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 elapsed time for k point: 0.009183883666992188 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3494947013271267 (5.04145% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3477682141916972 (0.495218% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3476951474265371 (0.0210124% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3476919810771725 (0.000910672% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3476919224042099 (1.6875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3476919188690358 (1.01675e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3476919187143103 (4.45008e-08% change) linmin: converged after 18 iterations. iteration 8: trace = 0.3476919187046027 (2.792e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3476919187043958 (5.95198e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 elapsed time for k point: 0.005106687545776367 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.313674462678804 (3.55049% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3125395680681952 (0.362462% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3124731771050028 (0.0212447% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3124702465943586 (0.000937848% change) linmin: converged after 11 iterations. iteration 5: trace = 0.3124701893749383 (1.8312e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3124701860944269 (1.04986e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3124701859365773 (5.05167e-08% change) linmin: converged after 18 iterations. iteration 8: trace = 0.3124701859237748 (4.09718e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3124701859233402 (1.39084e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.312470185923318 (7.10611e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 elapsed time for k point: 0.005610942840576172 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3038101253174502 (3.91494% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3016593346553426 (0.710454% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3014471622741597 (0.0703598% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3014388140917271 (0.00276941% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3014386435309352 (5.65822e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3014386380615977 (1.81441e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3014386378123752 (8.26777e-08% change) linmin: converged after 8 iterations. iteration 8: trace = 0.3014386377980788 (4.74274e-09% change) linmin: converged after 10 iterations. iteration 9: trace = 0.3014386377957531 (7.71532e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3014386377955977 (5.15631e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 elapsed time for k point: 0.005621194839477539 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3082775823540669 (5.57215% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031076120438354 (1.69123% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3026170118071226 (0.161988% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3025983731804747 (0.00615934% change) linmin: converged after 4 iterations. iteration 5: trace = 0.302596172251638 (0.000727346% change) linmin: converged after 5 iterations. iteration 6: trace = 0.302595719263861 (0.000149701% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3025956975678885 (7.16995e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025956961202268 (4.78414e-07% change) linmin: converged after 29 iterations. iteration 9: trace = 0.3025956959692822 (4.98833e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 0.30259569594187 (9.05901e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 0.3025956959407161 (3.81337e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 0.3025956959406537 (2.06198e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 .elapsed time for k point: 0.003311634063720703 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232155 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4615121898996919 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819286 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232155) to band 2 (0.4615121898996919), 36.990024869608185% total elapsed time for run: 0.08574295043945312 done /tmp/meepREy4kN/test_maximize_first_tm_gap-0: 0.37s /tmp/meepREy4kN/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013778209686279297 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1393742561340332 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3896167278289795 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08591747283935547 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07929396629333496 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09178447723388672 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14262056350708008 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1080925464630127 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09473538398742676 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07926440238952637 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07576584815979004 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.0754857063293457 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.059627532958984375 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06944680213928223 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09492015838623047 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11174464225769043 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24740886688232422 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9476585388183594 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014636516571044922 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13923239707946777 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3908255100250244 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08597230911254883 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07890152931213379 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09154534339904785 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1425032615661621 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10783839225769043 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09169459342956543 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07919168472290039 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07575821876525879 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07545185089111328 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.059725046157836914 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06934523582458496 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09473252296447754 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11092567443847656 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.247023344039917 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.943263053894043 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 ./tmp/meepREy4kN/test_multiply_bloch_in_mpb_data-0: 3.94s /tmp/meepREy4kN/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013744831085205078 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13878440856933594 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3882482051849365 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08576178550720215 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07879185676574707 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09139347076416016 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14198803901672363 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10717082023620605 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09085631370544434 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07846999168395996 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07490992546081543 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07484006881713867 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05922222137451172 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06887102127075195 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09435367584228516 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11023569107055664 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24509119987487793 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9314851760864258 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 ./tmp/meepREy4kN/test_multiply_bloch_phase-0: 1.93s /tmp/meepREy4kN/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013506412506103516 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1383194923400879 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3858802318572998 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08539462089538574 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07834172248840332 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09104180335998535 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14194560050964355 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10699176788330078 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09107112884521484 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07854866981506348 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07511258125305176 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07503151893615723 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.059313058853149414 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06890726089477539 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09396243095397949 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11045074462890625 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2451798915863037 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.928027868270874 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 .Outputting complex scalar field to /tmp/meepREy4kN/test_output_charge_density-0-C.k16.b08.te.h5... /tmp/meepREy4kN/test_output_charge_density-0: 1.93s /tmp/meepREy4kN/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013875961303710938 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13723134994506836 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102546, 0.8567435000049364 Outputting fields to /tmp/meepREy4kN/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069426, 0.5288260557983413 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480439, 0.5288079654922656 D-energy-components:, 1, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195854466, 0.08910010798064814 D-energy-components:, 1, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.000171117688413, 0.4012464930179531 D-energy-components:, 1, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032258794, 0.40125199105710213 D-energy-components:, 1, 8, 0.499992, 0.500008, 0 dpwr:, 8, 1.092820931747629, 0.28720566826326627 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.388446569442749 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272505, 0.04603176933548133 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 dpwr:, 2, 0.551137686974427, 0.8445541870140358 D-energy-components:, 2, 3, 0.219526, 0.780474, 0 dpwr:, 3, 0.7615997355586388, 0.4427396122607623 D-energy-components:, 2, 4, 0.779994, 0.220006, 0 dpwr:, 4, 0.7746821846144919, 0.5367491123449687 D-energy-components:, 2, 5, 0.333449, 0.666551, 0 dpwr:, 5, 0.9071987086409541, 0.3120181983347261 D-energy-components:, 2, 6, 0.881419, 0.118581, 0 dpwr:, 6, 1.001877952940223, 0.389133392897093 D-energy-components:, 2, 7, 0.392233, 0.607767, 0 dpwr:, 7, 1.0035701586968402, 0.27762088392887485 D-energy-components:, 2, 8, 0.507954, 0.492046, 0 dpwr:, 8, 1.1020906511633553, 0.6676492387496954 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08559608459472656 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.17869200446402672, 0.05442207264059689 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 dpwr:, 2, 0.5448958802776009, 0.7942737936904464 D-energy-components:, 3, 3, 0.23103, 0.76897, 0 dpwr:, 3, 0.7285335884676534, 0.3007717411390054 D-energy-components:, 3, 4, 0.758854, 0.241146, 0 dpwr:, 4, 0.7785279987553604, 0.5586605740266591 D-energy-components:, 3, 5, 0.240477, 0.759523, 0 dpwr:, 5, 0.8802435456076878, 0.5941655354344233 D-energy-components:, 3, 6, 0.863785, 0.136215, 0 dpwr:, 6, 1.0069870419364997, 0.3547233907515459 D-energy-components:, 3, 7, 0.585239, 0.414761, 0 dpwr:, 7, 1.0169614533587052, 0.21322445865289832 D-energy-components:, 3, 8, 0.535346, 0.464654, 0 dpwr:, 8, 1.1002742200343298, 0.623265498628933 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07864093780517578 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.26579760671574704, 0.07189021129298956 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 dpwr:, 2, 0.528175580889728, 0.6596795148910986 D-energy-components:, 4, 3, 0.27068, 0.72932, 0 dpwr:, 3, 0.6854491685263079, 0.3005421253041571 D-energy-components:, 4, 4, 0.732284, 0.267716, 0 dpwr:, 4, 0.783377431811592, 0.5880663066200458 D-energy-components:, 4, 5, 0.261431, 0.738569, 0 dpwr:, 5, 0.8607144514828621, 0.7295588531345849 D-energy-components:, 4, 6, 0.829353, 0.170647, 0 dpwr:, 6, 1.015152030425295, 0.30554099772434606 D-energy-components:, 4, 7, 0.603026, 0.396974, 0 dpwr:, 7, 1.0384314734879103, 0.24673894341648736 D-energy-components:, 4, 8, 0.592482, 0.407518, 0 dpwr:, 8, 1.0966392149656101, 0.5396650770126294 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.0912008285522461 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452583, 0.10384524472299073 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 dpwr:, 2, 0.490738447617832, 0.4356739544080347 D-energy-components:, 5, 3, 0.351613, 0.648387, 0 dpwr:, 3, 0.6527974478809139, 0.4481425123507 D-energy-components:, 5, 4, 0.710454, 0.289546, 0 dpwr:, 4, 0.7873816318426072, 0.6139011766780409 D-energy-components:, 5, 5, 0.295332, 0.704668, 0 dpwr:, 5, 0.8499993146942633, 0.7699338908264387 D-energy-components:, 5, 6, 0.77736, 0.22264, 0 dpwr:, 6, 1.024429460878491, 0.2578911955076916 D-energy-components:, 5, 7, 0.546257, 0.453743, 0 dpwr:, 7, 1.0644076666285343, 0.3322131408251663 D-energy-components:, 5, 8, 0.681176, 0.318824, 0 dpwr:, 8, 1.0912080621155025, 0.432931740401934 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14177250862121582 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654536, 0.08603996686495279 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 dpwr:, 2, 0.4415884497225444, 0.3584484766510359 D-energy-components:, 6, 3, 0.391615, 0.608385, 0 dpwr:, 3, 0.6419977365450051, 0.5328472337342331 D-energy-components:, 6, 4, 0.702039, 0.297961, 0 dpwr:, 4, 0.7889329895481019, 0.6242704622253022 D-energy-components:, 6, 5, 0.308697, 0.691303, 0 dpwr:, 5, 0.8465878695825275, 0.7771267587548936 D-energy-components:, 6, 6, 0.742736, 0.257264, 0 dpwr:, 6, 1.0291597050650207, 0.2368121142822689 D-energy-components:, 6, 7, 0.350801, 0.649199, 0 dpwr:, 7, 1.086072932359417, 0.5782428834882117 D-energy-components:, 6, 8, 0.737396, 0.262604, 0 dpwr:, 8, 1.0878689635052696, 0.3795081622229656 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10741281509399414 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.4237414613237853, 0.08405292712306052 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 dpwr:, 2, 0.44578070370980216, 0.37490215610134964 D-energy-components:, 7, 3, 0.394034, 0.605966, 0 dpwr:, 3, 0.6382302673378553, 0.508227094763859 D-energy-components:, 7, 4, 0.691881, 0.308119, 0 dpwr:, 4, 0.7931468861820258, 0.6251503072194667 D-energy-components:, 7, 5, 0.335703, 0.664297, 0 dpwr:, 5, 0.8429434922386815, 0.7355775624966431 D-energy-components:, 7, 6, 0.716117, 0.283883, 0 dpwr:, 6, 0.9865231609182584, 0.18697860289998966 D-energy-components:, 7, 7, 0.592896, 0.407104, 0 dpwr:, 7, 1.0501755817174658, 0.4077764093960339 D-energy-components:, 7, 8, 0.507261, 0.492739, 0 dpwr:, 8, 1.1038343097294325, 0.6404816835444186 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09128355979919434 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.4547812725154716, 0.08020083733746218 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 dpwr:, 2, 0.4574339768574993, 0.42543224668170315 D-energy-components:, 8, 3, 0.39346, 0.60654, 0 dpwr:, 3, 0.6278984163475767, 0.43806479968572104 D-energy-components:, 8, 4, 0.668133, 0.331867, 0 dpwr:, 4, 0.8052541518094462, 0.6230094255563579 D-energy-components:, 8, 5, 0.454908, 0.545092, 0 dpwr:, 5, 0.8261006682422064, 0.5373015422282856 D-energy-components:, 8, 6, 0.562281, 0.437719, 0 dpwr:, 6, 0.927944859792419, 0.35266364984631754 D-energy-components:, 8, 7, 0.614808, 0.385192, 0 dpwr:, 7, 1.0045628522255505, 0.42073899377174034 D-energy-components:, 8, 8, 0.497393, 0.502607, 0 dpwr:, 8, 1.108792554315, 0.7279717672398118 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07882261276245117 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.47376659593612236, 0.5125827722134951 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 dpwr:, 2, 0.5012788429465528, 0.07946478028058172 D-energy-components:, 9, 3, 0.37582, 0.62418, 0 dpwr:, 3, 0.6135801757468698, 0.3288116237040682 D-energy-components:, 9, 4, 0.604014, 0.395986, 0 dpwr:, 4, 0.7814668693238181, 0.22327322644032324 D-energy-components:, 9, 5, 0.642263, 0.357737, 0 dpwr:, 5, 0.8241814443502156, 0.6095695047986233 D-energy-components:, 9, 6, 0.357719, 0.642281, 0 dpwr:, 6, 0.8949492139663714, 0.6540286383381512 D-energy-components:, 9, 7, 0.617321, 0.382679, 0 dpwr:, 7, 0.9590511572130652, 0.46189058607300787 D-energy-components:, 9, 8, 0.497742, 0.502258, 0 dpwr:, 8, 1.1106978152214078, 0.7615498171458284 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07515931129455566 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371615308 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 dpwr:, 2, 0.5560451343598191, 0.0903499596303509 D-energy-components:, 10, 3, 0.336621, 0.663379, 0 dpwr:, 3, 0.5995699405207225, 0.19597806182919142 D-energy-components:, 10, 4, 0.593365, 0.406635, 0 dpwr:, 4, 0.7196106755137285, 0.08289042691568235 D-energy-components:, 10, 5, 0.620299, 0.379701, 0 dpwr:, 5, 0.8492467967258347, 0.5777971969564293 D-energy-components:, 10, 6, 0.283543, 0.716457, 0 dpwr:, 6, 0.8843373771777039, 0.7772986149184443 D-energy-components:, 10, 7, 0.618314, 0.381686, 0 dpwr:, 7, 0.9171675057709648, 0.5159863025112328 D-energy-components:, 10, 8, 0.499316, 0.500684, 0 dpwr:, 8, 1.1116210575363994, 0.7756611032715236 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.0750892162322998 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.4968358647448986, 0.6986360262353926 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 dpwr:, 2, 0.5931405141160886, 0.11965861786804133 D-energy-components:, 11, 3, 0.509591, 0.490409, 0 dpwr:, 3, 0.5931535863117833, 0.11954218308176906 D-energy-components:, 11, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.6791690130757021, 0.026633379719866956 D-energy-components:, 11, 5, 0.5, 0.5, 0 dpwr:, 5, 0.8786838141604552, 0.2997497622839382 D-energy-components:, 11, 6, 0.362, 0.638, 0 dpwr:, 6, 0.881977091666069, 0.8023568424744697 D-energy-components:, 11, 7, 0.638005, 0.361995, 0 dpwr:, 7, 0.8819818134421863, 0.8023816357258053 D-energy-components:, 11, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1119173707556913, 0.7797381408707402 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05944967269897461 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434172, 0.41845731017621085 D-energy-components:, 12, 2, 0.5, 0.5, 0 dpwr:, 2, 0.5460026488335807, 0.3658958857129391 D-energy-components:, 12, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6067323336356549, 0.12560615204419626 D-energy-components:, 12, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.7436021910476279, 0.11295231544330911 D-energy-components:, 12, 5, 0.499995, 0.500005, 0 dpwr:, 5, 0.8392225951317908, 0.573850559806543 D-energy-components:, 12, 6, 0.500004, 0.499996, 0 dpwr:, 6, 0.8822539391893133, 0.7904020720470326 D-energy-components:, 12, 7, 0.500006, 0.499994, 0 dpwr:, 7, 0.9369700961990083, 0.4818498954987373 D-energy-components:, 12, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1112079237958836, 0.77061008284024 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06907773017883301 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290166, 0.1223740833813474 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 dpwr:, 2, 0.5361862884392886, 0.6769327340989899 D-energy-components:, 13, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6445723178214436, 0.15055644500912893 D-energy-components:, 13, 4, 0.499998, 0.500002, 0 dpwr:, 4, 0.8096891551677099, 0.5562411649880867 D-energy-components:, 13, 5, 0.499996, 0.500004, 0 dpwr:, 5, 0.825804393421293, 0.2464350024546788 D-energy-components:, 13, 6, 0.500008, 0.499992, 0 dpwr:, 6, 0.8836423042160464, 0.7471141728536403 D-energy-components:, 13, 7, 0.5, 0.5, 0 dpwr:, 7, 1.010203217330907, 0.38074698867754087 D-energy-components:, 13, 8, 0.5, 0.5, 0 dpwr:, 8, 1.107251471986555, 0.7236183032339155 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09426546096801758 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988460781 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5428871357208418, 0.776089779273674 D-energy-components:, 14, 3, 0.500001, 0.499999, 0 dpwr:, 3, 0.6980810670314974, 0.22096216698502874 D-energy-components:, 14, 4, 0.5, 0.5, 0 dpwr:, 4, 0.7893713580516234, 0.5549181091414706 D-energy-components:, 14, 5, 0.499969, 0.500031, 0 dpwr:, 5, 0.8884826102636717, 0.6405660798559313 D-energy-components:, 14, 6, 0.500033, 0.499967, 0 dpwr:, 6, 0.8978578700405546, 0.3162262953638465 D-energy-components:, 14, 7, 0.499994, 0.500006, 0 dpwr:, 7, 1.078841340829401, 0.46522856191784423 D-energy-components:, 14, 8, 0.500005, 0.499995, 0 dpwr:, 8, 1.0903856458796717, 0.5462861490109712 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11058282852172852 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469342, 0.047952797703298834 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5499075072904045, 0.8350614780733144 D-energy-components:, 15, 3, 0.499999, 0.500001, 0 dpwr:, 3, 0.7503777100615932, 0.3870295603731526 D-energy-components:, 15, 4, 0.500004, 0.499996, 0 dpwr:, 4, 0.7772608508874288, 0.5369475337156477 D-energy-components:, 15, 5, 0.499997, 0.500003, 0 dpwr:, 5, 0.9030590134928069, 0.3906213130756244 D-energy-components:, 15, 6, 0.500003, 0.499997, 0 dpwr:, 6, 0.9619844143351223, 0.3640423032025699 D-energy-components:, 15, 7, 0.500001, 0.499999, 0 dpwr:, 7, 1.041906497274037, 0.3229108453858703 D-energy-components:, 15, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.100036744786668, 0.648922709694379 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24359416961669922 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101995, 0.8567434642230597 Outputting fields to /tmp/meepREy4kN/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069766, 0.528826082855366 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480536, 0.5288079685695205 D-energy-components:, 16, 5, 0.5, 0.5, 0 dpwr:, 5, 0.922996519585588, 0.08910054416430166 D-energy-components:, 16, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.0001711176882835, 0.40124662932601907 D-energy-components:, 16, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.000172003225706, 0.4012520176859986 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 .dpwr:, 8, 1.0928209317478468, 0.2872053790863704 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9793200492858887 done /tmp/meepREy4kN/test_output_dpwr_in_objects-0: 1.98s /tmp/meepREy4kN/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013885498046875 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 16 iterations. iteration 1: trace = 13.34219610907316 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574134645 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532084566 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674664691 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153594937 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956211726 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820096039 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110536306 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920479 (0.0351352% change) linmin: converged after 6 iterations. iteration 10: trace = 4.381187024151515 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064872483 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652773514 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327479996 (0.0364202% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477119388 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613479035 (0.000911427% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192660378 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731090828 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431190648 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977266439 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547638314 (9.82294e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986616824 (1.28271e-05% change) linmin: converged after 8 iterations. iteration 22: trace = 4.373721450686105 (1.22534e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.373721224632515 (5.16845e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 4.373721180253412 (1.01468e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520035 (1.76815e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.373721170365219 (4.92674e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530104 (1.90939e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 4.373721169259862 (6.17878e-09% change) linmin: converged after 28 iterations. iteration 29: trace = 4.373721169186911 (1.66793e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721169145532 (9.4609e-10% change) linmin: converged after 11 iterations. iteration 31: trace = 4.373721169066987 (1.79584e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966431 (2.2991e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 4.373721168940524 (5.92319e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.373721168933659 (1.56974e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.37372116892797 (1.30067e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 4.373721168920043 (1.81241e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 4.373721168904344 (3.58949e-10% change) large trace change predicted (9.95405e-10%) linmin: converged after 5 iterations. iteration 38: trace = 4.373721168860811 (9.95315e-10% change) large trace change predicted (4.53523e-09%) linmin: converged after 6 iterations. iteration 39: trace = 4.373721168662423 (4.53591e-09% change) large trace change predicted (2.07011e-08%) linmin: converged after 3 iterations. iteration 40: trace = 4.373721167757034 (2.07007e-08% change) large trace change predicted (8.12557e-08%) linmin: converged after 4 iterations. iteration 41: trace = 4.373721164203222 (8.12537e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.37372115830691 (1.34812e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721154436483 (8.84928e-08% change) linmin: converged after 11 iterations. iteration 44: trace = 4.373721151274946 (7.22848e-08% change) large trace change predicted (2.03287e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383832 (2.03285e-07% change) large trace change predicted (4.92802e-07%) linmin: converged after 6 iterations. iteration 46: trace = 4.373721120833393 (4.92725e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 4.37372107793805 (9.80752e-07% change) large trace change predicted (2.055e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988609533 (2.04239e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903699593 (1.94137e-06% change) linmin: converged after 9 iterations. iteration 50: trace = 4.373720867145784 (8.3576e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.37372085603617 (2.54008e-07% change) linmin: converged after 9 iterations. iteration 52: trace = 4.373720853582015 (5.61114e-08% change) linmin: converged after 5 iterations. iteration 53: trace = 4.373720853002698 (1.32454e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 4.373720852585022 (9.54968e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851986538 (1.36836e-08% change) linmin: converged after 8 iterations. iteration 56: trace = 4.373720851520712 (1.06506e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 4.373720851245481 (6.29284e-09% change) linmin: converged after 7 iterations. iteration 58: trace = 4.373720851095249 (3.43487e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044093 (1.16963e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.373720851034473 (2.19947e-10% change) linmin: converged after 5 iterations. iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.16170811653137207 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909575996686 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128641663713 (0.94019% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320136589965 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732191285522 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652316352 (0.028693% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414673696 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.290902808716371 (0.00325348% change) linmin: converged after 6 iterations. iteration 8: trace = 4.2908721193893 (0.000715221% change) linmin: converged after 5 iterations. iteration 9: trace = 4.29086322736101 (0.000207231% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496337257 (8.69528e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035134088 (3.40539e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.290857390244804 (1.50294e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285462815 (2.44198e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271945756 (3.1502e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.290857267538623 (1.0271e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 4.290857264553208 (6.95762e-08% change) linmin: converged after 11 iterations. iteration 17: trace = 4.290857263488306 (2.48179e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.290857263235813 (5.88445e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156709 (1.84354e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.290857263115525 (9.59807e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096176 (4.50935e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085615 (2.46136e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.07569432258605957 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007783039 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336657865 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740783887 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881259739 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170494 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621548 (0.000236877% change) linmin: converged after 20 iterations. iteration 7: trace = 4.208308119593188 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493156 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.2083079596792 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47789e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.208307958537226 (2.35728e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.208307958520758 (3.91314e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.043633222579956055 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019179923 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.15091918802987 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.15050869675084 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631781 (0.00137421% change) linmin: converged after 6 iterations. iteration 5: trace = 4.150445322388979 (0.000152712% change) linmin: converged after 4 iterations. iteration 6: trace = 4.150444374952527 (2.28273e-05% change) linmin: converged after 38 iterations. iteration 7: trace = 4.150444119567911 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145889 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167716 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934402 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836717 (2.35361e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.150444015829235 (1.8027e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.043720245361328125 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812539464 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810314 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.11975343523068 (0.0146599% change) linmin: converged after 12 iterations. iteration 4: trace = 4.119635726773534 (0.00285721% change) linmin: converged after 5 iterations. iteration 5: trace = 4.119609536145701 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815895 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308932 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539519 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763422 (4.31134e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629699 (3.24603e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622139 (1.83496e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.04367947578430176 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244646566 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107313 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166868 (0.0241823% change) linmin: converged after 4 iterations. iteration 4: trace = 4.110889360751742 (0.00728306% change) linmin: converged after 6 iterations. iteration 5: trace = 4.11080703996452 (0.00200253% change) linmin: converged after 7 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801953 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787365 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125225 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910481 (5.38765e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738061 (4.19433e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.110777242727878 (2.47714e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.04366803169250488 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254176 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388635 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449423 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.09948996603966 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533704 (3.67352e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.099489964290493 (5.93271e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.099489964275826 (3.57785e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.04051089286804199 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.08011930367582 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385525 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 4 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245483 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.07945290434498 (1.02711e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.079452897007465 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879314 (2.76545e-08% change) linmin: converged after 5 iterations. iteration 10: trace = 4.079452895806834 (1.7767e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.03722977638244629 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550774 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231338 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 5 iterations. iteration 4: trace = 4.068777004347965 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591241 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.068759282973239 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.068759276139259 (3.34843e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.068759276129624 (2.36803e-10% change) linmin: converged after 17 iterations. iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.04039168357849121 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.08041013089164 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235417 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324658 (0.00232088% change) linmin: converged after 5 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.075526949476022 (7.83823e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.075526949369352 (2.61734e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.075526949350733 (4.56846e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.04667854309082031 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043243 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815202 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549152 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589705 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664407 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982815 (0.00206873% change) linmin: converged after 5 iterations. iteration 7: trace = 4.092151257465511 (0.00014336% change) linmin: converged after 5 iterations. iteration 8: trace = 4.0921506669632 (1.44301e-05% change) linmin: converged after 29 iterations. iteration 9: trace = 4.092150601221075 (1.60654e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.09215044281785 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447509 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87883e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.092150433621977 (1.38522e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.04999399185180664 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496078681969 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161341909401 (0.908868% change) linmin: converged after 5 iterations. iteration 3: trace = 4.060628566573646 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416799578 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154678076 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139224234 (0.011194% change) linmin: converged after 11 iterations. iteration 7: trace = 4.046656969292219 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828279984 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979405 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.04665226257679 (3.4696e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 4.046652203574181 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.04665218541018 (4.48865e-07% change) linmin: converged after 23 iterations. iteration 13: trace = 4.046652183788301 (4.00795e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.046652183683065 (2.60056e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.046652183677345 (1.41348e-10% change) linmin: converged after 16 iterations. iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.05328011512756348 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770394939 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188745 (0.123031% change) linmin: converged after 7 iterations. iteration 3: trace = 4.04457112881917 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705128 (0.0011425% change) linmin: converged after 5 iterations. iteration 5: trace = 4.044514961032788 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485701 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.04451325570943 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.044513236602917 (4.94069e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.044513236418492 (4.55988e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.044513236398149 (5.02974e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.04041552543640137 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840204 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070052 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394074 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532734 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601677 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030414 (2.34771e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.113415260853634 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902214 (2.31297e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.113415259769443 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756536 (3.13778e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.04028892517089844 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668811 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052032 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311717 (0.00157809% change) linmin: converged after 5 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 33 iterations. iteration 9: trace = 4.240749647343285 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492671 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080627 (9.71629e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034733 (1.08221e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.240749642029137 (1.31968e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.04682207107543945 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690654 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122198 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936335 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127845 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382419 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369238089 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462298 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817305982 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398593 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837435 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003573 (0.00173939% change) linmin: converged after 5 iterations. iteration 12: trace = 4.373725631015397 (0.000243499% change) linmin: converged after 4 iterations. iteration 13: trace = 4.373723713248079 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.373723043717632 (1.5308e-05% change) linmin: converged after 9 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078789 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618466 (3.39437e-06% change) large trace change predicted (8.38717e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.373721914772871 (8.38749e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.373721775011068 (3.19549e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750853678 (5.5233e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706459 (1.63413e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721741956021 (4.00217e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.373721741656272 (6.8534e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.37372174151351 (3.26409e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.373721741466444 (1.0761e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 4.373721741452075 (3.28549e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 4.373721741432764 (4.41518e-10% change) large trace change predicted (8.94441e-10%) linmin: converged after 10 iterations. iteration 28: trace = 4.373721741393643 (8.94449e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 4.373721741340017 (1.22611e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.37372174131413 (5.91872e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.37372174130407 (2.29999e-10% change) large trace change predicted (8.8515e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.373721741265362 (8.85026e-10% change) large trace change predicted (1.78977e-09%) linmin: converged after 3 iterations. iteration 33: trace = 4.373721741187082 (1.78977e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 4.373721741036555 (3.44162e-09% change) large trace change predicted (3.16488e-08%) linmin: converged after 4 iterations. iteration 35: trace = 4.373721739652334 (3.16486e-08% change) large trace change predicted (1.81295e-07%) linmin: converged after 4 iterations. iteration 36: trace = 4.373721731723725 (1.81278e-07% change) large trace change predicted (7.42215e-07%) linmin: converged after 4 iterations. iteration 37: trace = 4.373721699293694 (7.41474e-07% change) large trace change predicted (1.81306e-06%) linmin: converged after 7 iterations. iteration 38: trace = 4.373721620557427 (1.80021e-06% change) large trace change predicted (3.99382e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449599707 (3.90875e-06% change) linmin: converged after 16 iterations. iteration 40: trace = 4.373721351488157 (2.24321e-06% change) linmin: converged after 9 iterations. iteration 41: trace = 4.373721289289993 (1.42209e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 4.373721192919876 (2.20339e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721122950544 (1.59977e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.37372102588002 (2.2194e-06% change) linmin: converged after 6 iterations. iteration 45: trace = 4.373720919585161 (2.43031e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 4.373720871332154 (1.10325e-06% change) linmin: converged after 10 iterations. iteration 47: trace = 4.373720860378917 (2.50433e-07% change) linmin: converged after 13 iterations. iteration 48: trace = 4.373720857832792 (5.82142e-08% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720856551008 (2.93065e-08% change) linmin: converged after 4 iterations. iteration 50: trace = 4.373720854512562 (4.66067e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.373720852662255 (4.23051e-08% change) linmin: converged after 18 iterations. iteration 52: trace = 4.373720851889837 (1.76604e-08% change) linmin: converged after 7 iterations. iteration 53: trace = 4.373720851692727 (4.50671e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644104 (1.1117e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851631798 (2.81376e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.37372085162005 (2.68603e-10% change) linmin: converged after 28 iterations. iteration 57: trace = 4.373720851604448 (3.56716e-10% change) linmin: converged after 16 iterations. iteration 58: trace = 4.373720851597927 (1.49095e-10% change) linmin: converged after 16 iterations. iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.15649032592773438 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% total elapsed time for run: 0.9666898250579834 done Fixing e-field (band 8) phase by 2.441e-08 + -1i; max ampl. = 1.49941 FOutputting fields to /tmp/meepREy4kN/test_output_efield_z-0-e.k16.b08.z.tm.h5... /tmp/meepREy4kN/test_output_efield_z-0: 0.97s /tmp/meepREy4kN/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013837814331054688 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14106345176696777 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3931407928466797 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08719968795776367 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07880949974060059 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09128355979919434 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14223504066467285 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10734820365905762 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09135270118713379 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07882094383239746 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07522010803222656 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07527327537536621 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.059449195861816406 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06902146339416504 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09428715705871582 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11052584648132324 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24754571914672852 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.945117712020874 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepREy4kN/test_output_field_to_file-0-epsilon.h5... /tmp/meepREy4kN/test_output_field_to_file-0: 1.96s /tmp/meepREy4kN/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013704299926757812 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13988685607910156 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3880741596221924 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.0857234001159668 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07868814468383789 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09131908416748047 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.142045259475708 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10768914222717285 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09148859977722168 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0786581039428711 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07541465759277344 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07566547393798828 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05977034568786621 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06919503211975098 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09443473815917969 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11079955101013184 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24732756614685059 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.938671350479126 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 Outputting /tmp/meepREy4kN/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 ./tmp/meepREy4kN/test_output_tot_pwr-0: 1.94s /tmp/meepREy4kN/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.030200481414794922 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50 Solving for bands 1 to 10... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 0.9773582023559163 (198.958% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3161530410987907 (102.234% change) linmin: converged after 6 iterations. iteration 3: trace = 0.275770780541823 (13.6444% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2578977888964539 (6.69816% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2538047517632808 (1.59977% change) linmin: converged after 5 iterations. iteration 6: trace = 0.252521666448504 (0.506821% change) linmin: converged after 7 iterations. iteration 7: trace = 0.2513324422133906 (0.472051% change) linmin: converged after 5 iterations. iteration 8: trace = 0.250524545611766 (0.321963% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2503563741415212 (0.0671503% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2503392642292798 (0.00683446% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2503364696617258 (0.00111632% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2503356979333106 (0.000308277% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2503350629329613 (0.00025366% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2503346861323358 (0.000150519% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2503342765388505 (0.000163618% change) large trace change predicted (0.000678429%) linmin: converged after 5 iterations. iteration 16: trace = 0.2503325842641612 (0.000676008% change) large trace change predicted (0.00631306%) linmin: converged after 5 iterations. iteration 17: trace = 0.2503200648277745 (0.00500125% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2503038592917609 (0.00647414% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2502978020836445 (0.00241997% change) linmin: converged after 4 iterations. iteration 20: trace = 0.2502965572166423 (0.000497356% change) linmin: converged after 3 iterations. iteration 21: trace = 0.250295870716234 (0.000274275% change) linmin: converged after 5 iterations. iteration 22: trace = 0.2502955615722041 (0.000123512% change) linmin: converged after 5 iterations. iteration 23: trace = 0.2502955228253114 (1.54805e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.2502955176855845 (2.05346e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.2502955170624709 (2.48951e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 0.250295516776108 (1.1441e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.2502955164556004 (1.28052e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.2502955162302424 (9.00368e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.2502955158423098 (1.5499e-07% change) large trace change predicted (7.06242e-07%) linmin: converged after 4 iterations. iteration 30: trace = 0.2502955140746217 (7.0624e-07% change) large trace change predicted (1.92421e-06%) linmin: converged after 5 iterations. iteration 31: trace = 0.2502955092582698 (1.92427e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 0.2502955074678371 (7.15328e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2502955071409597 (1.30597e-07% change) linmin: converged after 5 iterations. iteration 34: trace = 0.2502955070820969 (2.35173e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.2502955070452446 (1.47235e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.2502955070312232 (5.60196e-09% change) linmin: converged after 6 iterations. iteration 37: trace = 0.2502955070289656 (9.01967e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.2502955070287197 (9.82274e-11% change) Finished solving for bands 1 to 10 after 38 iterations. Solving for bands 11 to 20... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 2.764077242282496 (197.059% change) linmin: converged after 9 iterations. iteration 2: trace = 0.7088244637206618 (118.359% change) linmin: converged after 10 iterations. iteration 3: trace = 0.5830461774916993 (19.4723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.5699441115556886 (2.27271% change) linmin: converged after 5 iterations. iteration 5: trace = 0.5601912957140796 (1.72596% change) linmin: converged after 6 iterations. iteration 6: trace = 0.554977005635624 (0.935158% change) linmin: converged after 4 iterations. iteration 7: trace = 0.5536217797509715 (0.244493% change) linmin: converged after 5 iterations. iteration 8: trace = 0.5527881756235467 (0.150686% change) linmin: converged after 5 iterations. iteration 9: trace = 0.5525197785497575 (0.0485651% change) linmin: converged after 5 iterations. iteration 10: trace = 0.5524120847066949 (0.0194933% change) linmin: converged after 5 iterations. iteration 11: trace = 0.5523393402697568 (0.0131694% change) linmin: converged after 4 iterations. iteration 12: trace = 0.5523162607162734 (0.0041786% change) linmin: converged after 5 iterations. iteration 13: trace = 0.5523079347092207 (0.00150748% change) linmin: converged after 6 iterations. iteration 14: trace = 0.5523053045770734 (0.000476209% change) linmin: converged after 5 iterations. iteration 15: trace = 0.5523046348502885 (0.00012126% change) linmin: converged after 5 iterations. iteration 16: trace = 0.5523044939040401 (2.55197e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 0.5523044363704386 (1.0417e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.5523044197503095 (3.00923e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 0.5523044169604693 (5.05127e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 0.5523044161634481 (1.44308e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 0.5523044158163604 (6.28435e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 0.5523044156915484 (2.25984e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 0.5523044156387963 (9.55128e-09% change) linmin: converged after 9 iterations. iteration 24: trace = 0.5523044156091683 (5.36443e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.5523044156002892 (1.60765e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.5523044155970435 (5.87672e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.5523044155956081 (2.59894e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 0.552304415595374 (4.23743e-11% change) Finished solving for bands 11 to 20 after 28 iterations. Solving for bands 21 to 30... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.040666553138821 (194.661% change) linmin: converged after 9 iterations. iteration 2: trace = 1.784736938401247 (95.4062% change) linmin: converged after 5 iterations. iteration 3: trace = 1.523333414368856 (15.804% change) linmin: converged after 5 iterations. iteration 4: trace = 1.441532080001039 (5.51805% change) linmin: converged after 5 iterations. iteration 5: trace = 1.405219437466541 (2.55116% change) linmin: converged after 5 iterations. iteration 6: trace = 1.388014989232303 (1.23187% change) linmin: converged after 5 iterations. iteration 7: trace = 1.376962867982376 (0.799437% change) linmin: converged after 5 iterations. iteration 8: trace = 1.37268195131882 (0.31138% change) linmin: converged after 5 iterations. iteration 9: trace = 1.370878341061495 (0.13148% change) linmin: converged after 4 iterations. iteration 10: trace = 1.370189509318599 (0.0502601% change) linmin: converged after 4 iterations. iteration 11: trace = 1.369866378231612 (0.0235857% change) linmin: converged after 4 iterations. iteration 12: trace = 1.369627804103043 (0.0174174% change) linmin: converged after 4 iterations. iteration 13: trace = 1.369391088200206 (0.0172847% change) linmin: converged after 5 iterations. iteration 14: trace = 1.369169936423073 (0.0161509% change) linmin: converged after 5 iterations. iteration 15: trace = 1.369039043718526 (0.00956046% change) linmin: converged after 4 iterations. iteration 16: trace = 1.36896709991595 (0.0052552% change) linmin: converged after 4 iterations. iteration 17: trace = 1.368919763117032 (0.00345791% change) linmin: converged after 4 iterations. iteration 18: trace = 1.368881565102084 (0.00279042% change) linmin: converged after 5 iterations. iteration 19: trace = 1.368847148217092 (0.00251427% change) linmin: converged after 5 iterations. iteration 20: trace = 1.368816057044509 (0.00227137% change) linmin: converged after 7 iterations. iteration 21: trace = 1.368795335803253 (0.00151382% change) linmin: converged after 6 iterations. iteration 22: trace = 1.368783116283498 (0.000892725% change) linmin: converged after 4 iterations. iteration 23: trace = 1.368774313878865 (0.000643085% change) linmin: converged after 5 iterations. iteration 24: trace = 1.36876702717065 (0.000532354% change) linmin: converged after 7 iterations. iteration 25: trace = 1.368760736433417 (0.000459593% change) linmin: converged after 8 iterations. iteration 26: trace = 1.368755530414703 (0.000380346% change) linmin: converged after 5 iterations. iteration 27: trace = 1.368752119509855 (0.000249198% change) linmin: converged after 5 iterations. iteration 28: trace = 1.368749700078314 (0.000176762% change) linmin: converged after 13 iterations. iteration 29: trace = 1.368747854834259 (0.000134812% change) linmin: converged after 4 iterations. iteration 30: trace = 1.368746241521253 (0.000117868% change) linmin: converged after 5 iterations. iteration 31: trace = 1.368745103675057 (8.31306e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.368744406365467 (5.09452e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.368744106172826 (2.1932e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.36874397809044 (9.35766e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 1.368743922574262 (4.05599e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 1.368743896765322 (1.88559e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 1.368743884092236 (9.25892e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 1.368743877674393 (4.68886e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.368743873564827 (3.00244e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 1.368743870515095 (2.22812e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 1.368743865625254 (3.5725e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 1.368743856077474 (6.97558e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 1.368743837481702 (1.3586e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 1.368743804106323 (2.43839e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.368743762212519 (3.06075e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 1.368743718468747 (3.19591e-06% change) linmin: converged after 5 iterations. iteration 47: trace = 1.368743667116035 (3.75181e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 1.368743567909835 (7.24798e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 1.368743413508752 (1.12805e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 1.368743170382022 (1.77628e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.368742909640436 (1.90497e-05% change) linmin: converged after 6 iterations. iteration 52: trace = 1.368742678084064 (1.69174e-05% change) linmin: converged after 7 iterations. iteration 53: trace = 1.368742429352863 (1.81722e-05% change) linmin: converged after 11 iterations. iteration 54: trace = 1.368741979799262 (3.28443e-05% change) large trace change predicted (7.74578e-05%) linmin: converged after 5 iterations. iteration 55: trace = 1.368740938896419 (7.60482e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 1.368739090064356 (0.000135075% change) linmin: converged after 8 iterations. iteration 57: trace = 1.368737088985244 (0.000146199% change) linmin: converged after 5 iterations. iteration 58: trace = 1.368735675184446 (0.000103292% change) linmin: converged after 8 iterations. iteration 59: trace = 1.36873489139564 (5.72637e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 1.368734383052895 (3.71396e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 1.368733869799367 (3.74984e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 1.368733229784598 (4.67596e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.368732612888608 (4.50706e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 1.368732103624983 (3.7207e-05% change) linmin: converged after 9 iterations. iteration 65: trace = 1.36873178435718 (2.33258e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 1.368731593555578 (1.394e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 1.368731481643516 (8.17633e-06% change) linmin: converged after 5 iterations. iteration 68: trace = 1.368731406757154 (5.47122e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.368731346620766 (4.39359e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.368731326396683 (1.47758e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.368731305812751 (1.50387e-06% change) linmin: converged after 3 iterations. iteration 72: trace = 1.368731292685496 (9.59082e-07% change) linmin: converged after 6 iterations. iteration 73: trace = 1.368731274190961 (1.35122e-06% change) linmin: converged after 2 iterations. iteration 74: trace = 1.36873124683439 (1.99868e-06% change) linmin: converged after 2 iterations. iteration 75: trace = 1.368731222076538 (1.80882e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 1.368731209365183 (9.28696e-07% change) linmin: converged after 2 iterations. iteration 77: trace = 1.368731204980154 (3.20372e-07% change) linmin: converged after 2 iterations. iteration 78: trace = 1.368731202164322 (2.05726e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 1.368731199544978 (1.9137e-07% change) linmin: converged after 2 iterations. iteration 80: trace = 1.368731196862976 (1.95948e-07% change) linmin: converged after 2 iterations. iteration 81: trace = 1.368731195121577 (1.27227e-07% change) linmin: converged after 2 iterations. iteration 82: trace = 1.368731194394966 (5.30864e-08% change) linmin: converged after 2 iterations. iteration 83: trace = 1.368731194038443 (2.60477e-08% change) linmin: converged after 3 iterations. iteration 84: trace = 1.368731193798584 (1.75242e-08% change) linmin: converged after 2 iterations. iteration 85: trace = 1.368731193444766 (2.58501e-08% change) linmin: converged after 2 iterations. iteration 86: trace = 1.368731192939273 (3.69315e-08% change) linmin: converged after 2 iterations. iteration 87: trace = 1.368731192445322 (3.60883e-08% change) linmin: converged after 3 iterations. iteration 88: trace = 1.368731191973515 (3.44704e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 1.3687311914594 (3.75614e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 1.368731190769489 (5.04052e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.368731189492628 (9.32879e-08% change) linmin: converged after 3 iterations. iteration 92: trace = 1.368731187985266 (1.10128e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 1.368731186086125 (1.38752e-07% change) linmin: converged after 6 iterations. iteration 94: trace = 1.36873118302204 (2.23863e-07% change) linmin: converged after 4 iterations. iteration 95: trace = 1.368731177617109 (3.94886e-07% change) large trace change predicted (9.62764e-07%) linmin: converged after 16 iterations. iteration 96: trace = 1.368731164440175 (9.62712e-07% change) large trace change predicted (1.97299e-06%) linmin: converged after 4 iterations. iteration 97: trace = 1.36873113743805 (1.97279e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 1.368731113438422 (1.75342e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 1.368731088527767 (1.81998e-06% change) linmin: converged after 6 iterations. iteration 100: trace = 1.368731069143642 (1.41621e-06% change) linmin: converged after 4 iterations. iteration 101: trace = 1.368731058828905 (7.53599e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 1.368731053231001 (4.08985e-07% change) linmin: converged after 14 iterations. iteration 103: trace = 1.368731050633044 (1.89808e-07% change) linmin: converged after 4 iterations. iteration 104: trace = 1.368731049719111 (6.67723e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 1.368731049381032 (2.47002e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 1.368731049212438 (1.23175e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 1.368731049112461 (7.30433e-09% change) linmin: converged after 5 iterations. iteration 108: trace = 1.368731049041643 (5.17401e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 1.368731048989907 (3.77985e-09% change) linmin: converged after 5 iterations. iteration 110: trace = 1.368731048949556 (2.94805e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 1.368731048927728 (1.59475e-09% change) linmin: converged after 7 iterations. iteration 112: trace = 1.368731048915437 (8.98038e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 1.368731048898766 (1.21795e-09% change) linmin: converged after 5 iterations. iteration 114: trace = 1.368731048867242 (2.3032e-09% change) large trace change predicted (6.63169e-09%) linmin: converged after 4 iterations. iteration 115: trace = 1.368731048776475 (6.63145e-09% change) large trace change predicted (2.53819e-08%) linmin: converged after 4 iterations. iteration 116: trace = 1.368731048429068 (2.53817e-08% change) large trace change predicted (6.62506e-08%) linmin: converged after 7 iterations. iteration 117: trace = 1.368731047522245 (6.62528e-08% change) linmin: converged after 5 iterations. iteration 118: trace = 1.368731045910584 (1.17749e-07% change) linmin: converged after 5 iterations. iteration 119: trace = 1.368731044212744 (1.24045e-07% change) linmin: converged after 4 iterations. iteration 120: trace = 1.368731043116591 (8.00853e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 1.368731041987232 (8.25114e-08% change) large trace change predicted (1.95931e-07%) linmin: converged after 7 iterations. iteration 122: trace = 1.368731039305491 (1.95929e-07% change) large trace change predicted (5.72233e-07%) linmin: converged after 5 iterations. iteration 123: trace = 1.368731031475412 (5.72069e-07% change) large trace change predicted (1.3697e-06%) linmin: converged after 5 iterations. iteration 124: trace = 1.368731012741541 (1.3687e-06% change) linmin: converged after 6 iterations. iteration 125: trace = 1.368730990264535 (1.64218e-06% change) linmin: converged after 8 iterations. iteration 126: trace = 1.368730976167249 (1.02995e-06% change) linmin: converged after 5 iterations. iteration 127: trace = 1.368730969434909 (4.91867e-07% change) linmin: converged after 5 iterations. iteration 128: trace = 1.368730962738434 (4.89247e-07% change) large trace change predicted (1.0363e-06%) linmin: converged after 5 iterations. iteration 129: trace = 1.368730948542338 (1.03717e-06% change) large trace change predicted (2.09757e-06%) linmin: converged after 5 iterations. iteration 130: trace = 1.368730919747172 (2.10379e-06% change) linmin: converged after 5 iterations. iteration 131: trace = 1.368730881719372 (2.77833e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 1.368730850739533 (2.2634e-06% change) linmin: converged after 5 iterations. iteration 133: trace = 1.368730836018361 (1.07553e-06% change) linmin: converged after 6 iterations. iteration 134: trace = 1.368730830348684 (4.14229e-07% change) linmin: converged after 3 iterations. iteration 135: trace = 1.36873082685028 (2.55595e-07% change) linmin: converged after 4 iterations. iteration 136: trace = 1.368730824073477 (2.02874e-07% change) linmin: converged after 5 iterations. iteration 137: trace = 1.368730822419339 (1.20852e-07% change) linmin: converged after 4 iterations. iteration 138: trace = 1.368730821974349 (3.25111e-08% change) linmin: converged after 5 iterations. iteration 139: trace = 1.368730821797337 (1.29325e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 1.36873082173381 (4.64129e-09% change) linmin: converged after 2 iterations. iteration 141: trace = 1.368730821659028 (5.46361e-09% change) linmin: converged after 12 iterations. iteration 142: trace = 1.368730821514677 (1.05463e-08% change) linmin: converged after 2 iterations. iteration 143: trace = 1.36873082127949 (1.71829e-08% change) linmin: converged after 2 iterations. iteration 144: trace = 1.368730821006482 (1.9946e-08% change) linmin: converged after 2 iterations. iteration 145: trace = 1.368730820791103 (1.57356e-08% change) linmin: converged after 3 iterations. iteration 146: trace = 1.368730820664076 (9.28066e-09% change) linmin: converged after 3 iterations. iteration 147: trace = 1.368730820561719 (7.47823e-09% change) linmin: converged after 2 iterations. iteration 148: trace = 1.368730820423973 (1.00638e-08% change) linmin: converged after 2 iterations. iteration 149: trace = 1.368730820282637 (1.0326e-08% change) linmin: converged after 6 iterations. iteration 150: trace = 1.368730820163353 (8.71496e-09% change) linmin: converged after 2 iterations. iteration 151: trace = 1.368730820033991 (9.45121e-09% change) large trace change predicted (1.90732e-08%) linmin: converged after 2 iterations. iteration 152: trace = 1.368730819772934 (1.90729e-08% change) linmin: converged after 2 iterations. iteration 153: trace = 1.368730819301536 (3.44406e-08% change) linmin: converged after 4 iterations. iteration 154: trace = 1.368730818650667 (4.75527e-08% change) linmin: converged after 2 iterations. iteration 155: trace = 1.368730817733782 (6.6988e-08% change) linmin: converged after 8 iterations. iteration 156: trace = 1.368730816601199 (8.27469e-08% change) linmin: converged after 4 iterations. iteration 157: trace = 1.368730814812392 (1.30691e-07% change) linmin: converged after 4 iterations. iteration 158: trace = 1.368730811403355 (2.49066e-07% change) linmin: converged after 7 iterations. iteration 159: trace = 1.368730806806086 (3.35878e-07% change) linmin: converged after 8 iterations. iteration 160: trace = 1.368730803017133 (2.76822e-07% change) linmin: converged after 3 iterations. iteration 161: trace = 1.368730799847216 (2.31595e-07% change) linmin: converged after 11 iterations. iteration 162: trace = 1.368730796328044 (2.57112e-07% change) linmin: converged after 8 iterations. iteration 163: trace = 1.368730793064505 (2.38435e-07% change) linmin: converged after 5 iterations. iteration 164: trace = 1.368730790362386 (1.97418e-07% change) linmin: converged after 3 iterations. iteration 165: trace = 1.36873078878541 (1.15214e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 1.368730787826099 (7.00877e-08% change) linmin: converged after 7 iterations. iteration 167: trace = 1.368730787041913 (5.7293e-08% change) linmin: converged after 5 iterations. iteration 168: trace = 1.368730786327404 (5.22023e-08% change) linmin: converged after 10 iterations. iteration 169: trace = 1.368730785825024 (3.6704e-08% change) linmin: converged after 4 iterations. iteration 170: trace = 1.368730785560769 (1.93066e-08% change) linmin: converged after 4 iterations. iteration 171: trace = 1.368730785470285 (6.6108e-09% change) linmin: converged after 5 iterations. iteration 172: trace = 1.368730785440339 (2.18785e-09% change) linmin: converged after 6 iterations. iteration 173: trace = 1.368730785430635 (7.08963e-10% change) linmin: converged after 3 iterations. iteration 174: trace = 1.368730785427708 (2.13912e-10% change) linmin: converged after 4 iterations. iteration 175: trace = 1.368730785426833 (6.38849e-11% change) Finished solving for bands 21 to 30 after 175 iterations. Solving for bands 31 to 40... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 7.230106530170506 (192.441% change) linmin: converged after 11 iterations. iteration 2: trace = 2.817364100690525 (87.8379% change) linmin: converged after 6 iterations. iteration 3: trace = 2.383772433885725 (16.673% change) linmin: converged after 6 iterations. iteration 4: trace = 2.264181950333428 (5.14594% change) linmin: converged after 12 iterations. iteration 5: trace = 2.205266188017869 (2.63638% change) linmin: converged after 5 iterations. iteration 6: trace = 2.183248748637495 (1.00341% change) linmin: converged after 5 iterations. iteration 7: trace = 2.173760375776314 (0.435545% change) linmin: converged after 5 iterations. iteration 8: trace = 2.167774122084664 (0.275767% change) linmin: converged after 5 iterations. iteration 9: trace = 2.16358040199555 (0.193645% change) linmin: converged after 5 iterations. iteration 10: trace = 2.159739056009329 (0.177704% change) linmin: converged after 4 iterations. iteration 11: trace = 2.15702209476702 (0.12588% change) linmin: converged after 4 iterations. iteration 12: trace = 2.155362898862326 (0.0769503% change) linmin: converged after 4 iterations. iteration 13: trace = 2.154174696420811 (0.0551429% change) linmin: converged after 5 iterations. iteration 14: trace = 2.153097711184035 (0.0500078% change) linmin: converged after 5 iterations. iteration 15: trace = 2.152356411443999 (0.0344354% change) linmin: converged after 5 iterations. iteration 16: trace = 2.151804495845252 (0.0256457% change) linmin: converged after 5 iterations. iteration 17: trace = 2.151338212081666 (0.0216718% change) linmin: converged after 4 iterations. iteration 18: trace = 2.151061653838748 (0.012856% change) linmin: converged after 5 iterations. iteration 19: trace = 2.150823283589471 (0.0110821% change) linmin: converged after 4 iterations. iteration 20: trace = 2.150656546131968 (0.00775256% change) linmin: converged after 4 iterations. iteration 21: trace = 2.150547247757261 (0.00508222% change) linmin: converged after 4 iterations. iteration 22: trace = 2.150480111512736 (0.00312187% change) linmin: converged after 4 iterations. iteration 23: trace = 2.150447077012171 (0.00153616% change) linmin: converged after 5 iterations. iteration 24: trace = 2.150426791487532 (0.000943321% change) linmin: converged after 4 iterations. iteration 25: trace = 2.150415527122207 (0.000523821% change) linmin: converged after 5 iterations. iteration 26: trace = 2.150409797922104 (0.000266423% change) linmin: converged after 5 iterations. iteration 27: trace = 2.150405288663566 (0.000209693% change) linmin: converged after 4 iterations. iteration 28: trace = 2.15040214025945 (0.00014641% change) linmin: converged after 5 iterations. iteration 29: trace = 2.150399521550649 (0.000121778% change) linmin: converged after 6 iterations. iteration 30: trace = 2.150396649501039 (0.000133559% change) linmin: converged after 6 iterations. iteration 31: trace = 2.150393098810755 (0.000165118% change) linmin: converged after 6 iterations. iteration 32: trace = 2.150387654321853 (0.000253186% change) linmin: converged after 7 iterations. iteration 33: trace = 2.150380790837795 (0.000319175% change) linmin: converged after 5 iterations. iteration 34: trace = 2.150373779095473 (0.00032607% change) linmin: converged after 6 iterations. iteration 35: trace = 2.150366763997729 (0.000326227% change) linmin: converged after 5 iterations. iteration 36: trace = 2.150359396527598 (0.000342615% change) linmin: converged after 4 iterations. iteration 37: trace = 2.150351903227359 (0.000348468% change) linmin: converged after 5 iterations. iteration 38: trace = 2.150343144221984 (0.00040733% change) linmin: converged after 4 iterations. iteration 39: trace = 2.150335244258529 (0.000367382% change) linmin: converged after 6 iterations. iteration 40: trace = 2.150328828056092 (0.000298382% change) linmin: converged after 6 iterations. iteration 41: trace = 2.150323123346729 (0.000265295% change) linmin: converged after 4 iterations. iteration 42: trace = 2.150319840811106 (0.000152653% change) linmin: converged after 3 iterations. iteration 43: trace = 2.150317369675977 (0.000114919% change) linmin: converged after 3 iterations. iteration 44: trace = 2.150315485730016 (8.76125e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 2.150314485092851 (4.65344e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 2.150313850319529 (2.952e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 2.150313567745016 (1.31411e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 2.150313402387604 (7.68992e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 2.150313290592575 (5.19901e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 2.150313233309788 (2.66393e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 2.150313205104017 (1.31171e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 2.150313191063011 (6.52975e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.15031318315574 (3.67726e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 2.150313178005872 (2.39494e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 2.15031317468392 (1.54487e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 2.15031317298649 (7.89387e-08% change) linmin: converged after 3 iterations. iteration 57: trace = 2.150313171839945 (5.33199e-08% change) linmin: converged after 4 iterations. iteration 58: trace = 2.150313171038808 (3.72568e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 2.150313170618584 (1.95424e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 2.150313170310127 (1.43447e-08% change) linmin: converged after 2 iterations. iteration 61: trace = 2.15031317007892 (1.07523e-08% change) linmin: converged after 2 iterations. iteration 62: trace = 2.150313169876843 (9.39756e-09% change) linmin: converged after 3 iterations. iteration 63: trace = 2.150313169681186 (9.09903e-09% change) linmin: converged after 8 iterations. iteration 64: trace = 2.15031316952697 (7.17178e-09% change) linmin: converged after 2 iterations. iteration 65: trace = 2.150313169349206 (8.26689e-09% change) linmin: converged after 3 iterations. iteration 66: trace = 2.150313169164314 (8.59838e-09% change) linmin: converged after 2 iterations. iteration 67: trace = 2.150313168971394 (8.97169e-09% change) linmin: converged after 5 iterations. iteration 68: trace = 2.150313168726532 (1.13873e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 2.150313168487834 (1.11006e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.150313168383634 (4.84582e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 2.150313168199778 (8.5502e-09% change) linmin: converged after 5 iterations. iteration 72: trace = 2.150313168067435 (6.15461e-09% change) linmin: converged after 2 iterations. iteration 73: trace = 2.150313167954971 (5.23009e-09% change) linmin: converged after 2 iterations. iteration 74: trace = 2.150313167848819 (4.9366e-09% change) linmin: converged after 3 iterations. iteration 75: trace = 2.150313167774826 (3.44105e-09% change) linmin: converged after 2 iterations. iteration 76: trace = 2.150313167690865 (3.90457e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 2.150313167606671 (3.91543e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 2.150313167537179 (3.23173e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 2.150313167461771 (3.50684e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 2.150313167391707 (3.25831e-09% change) linmin: converged after 2 iterations. iteration 81: trace = 2.150313167302679 (4.14023e-09% change) linmin: converged after 2 iterations. iteration 82: trace = 2.150313167174394 (5.96587e-09% change) linmin: converged after 2 iterations. iteration 83: trace = 2.150313167057197 (5.45023e-09% change) linmin: converged after 2 iterations. iteration 84: trace = 2.150313166919648 (6.39672e-09% change) linmin: converged after 2 iterations. iteration 85: trace = 2.150313166760828 (7.38586e-09% change) linmin: converged after 3 iterations. iteration 86: trace = 2.150313166660208 (4.67932e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 2.150313166582061 (3.63425e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 2.15031316651592 (3.07587e-09% change) linmin: converged after 5 iterations. iteration 89: trace = 2.150313166475563 (1.87678e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 2.150313166453092 (1.04503e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 2.150313166442374 (4.98443e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 2.150313166436357 (2.79818e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 2.150313166432015 (2.01938e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 2.150313166429914 (9.76854e-11% change) Finished solving for bands 31 to 40 after 94 iterations. Solving for bands 41 to 50... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 8.54561533283516 (191.103% change) linmin: converged after 9 iterations. iteration 2: trace = 3.261177039207398 (89.5152% change) linmin: converged after 6 iterations. iteration 3: trace = 2.73543054489073 (17.5348% change) linmin: converged after 6 iterations. iteration 4: trace = 2.599623148721098 (5.09114% change) linmin: converged after 10 iterations. iteration 5: trace = 2.527777747030367 (2.80241% change) linmin: converged after 6 iterations. iteration 6: trace = 2.48697195409586 (1.62743% change) linmin: converged after 5 iterations. iteration 7: trace = 2.468814609174601 (0.732773% change) linmin: converged after 7 iterations. iteration 8: trace = 2.458529975618113 (0.417451% change) linmin: converged after 5 iterations. iteration 9: trace = 2.452010579592671 (0.265527% change) linmin: converged after 5 iterations. iteration 10: trace = 2.44695192498564 (0.206519% change) linmin: converged after 5 iterations. iteration 11: trace = 2.443000266960076 (0.161624% change) linmin: converged after 4 iterations. iteration 12: trace = 2.440801969572049 (0.090024% change) linmin: converged after 4 iterations. iteration 13: trace = 2.439651933403517 (0.0471282% change) linmin: converged after 5 iterations. iteration 14: trace = 2.438794406518084 (0.0351557% change) linmin: converged after 5 iterations. iteration 15: trace = 2.438022839070599 (0.0316423% change) linmin: converged after 5 iterations. iteration 16: trace = 2.43731423966883 (0.0290687% change) linmin: converged after 5 iterations. iteration 17: trace = 2.436427459297366 (0.0363901% change) linmin: converged after 5 iterations. iteration 18: trace = 2.435606085478923 (0.0337179% change) linmin: converged after 5 iterations. iteration 19: trace = 2.435080538992132 (0.02158% change) linmin: converged after 5 iterations. iteration 20: trace = 2.434730917248482 (0.0143587% change) linmin: converged after 5 iterations. iteration 21: trace = 2.434515499878323 (0.00884808% change) linmin: converged after 4 iterations. iteration 22: trace = 2.434390164757964 (0.00514839% change) linmin: converged after 4 iterations. iteration 23: trace = 2.434289948271563 (0.00411678% change) linmin: converged after 4 iterations. iteration 24: trace = 2.43421517112559 (0.00307187% change) linmin: converged after 4 iterations. iteration 25: trace = 2.434151151333727 (0.00263003% change) linmin: converged after 5 iterations. iteration 26: trace = 2.434099390081217 (0.00212648% change) linmin: converged after 4 iterations. iteration 27: trace = 2.434069521772944 (0.00122709% change) linmin: converged after 4 iterations. iteration 28: trace = 2.434051894882334 (0.000724176% change) linmin: converged after 6 iterations. iteration 29: trace = 2.434040921125313 (0.000450844% change) linmin: converged after 5 iterations. iteration 30: trace = 2.434034872446438 (0.000248504% change) linmin: converged after 6 iterations. iteration 31: trace = 2.4340311347368 (0.00015356% change) linmin: converged after 5 iterations. iteration 32: trace = 2.434028967791745 (8.9027e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 2.434027725438828 (5.1041e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 2.434026886621372 (3.44621e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 2.434026138719075 (3.0727e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 2.434025450962204 (2.82559e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 2.434024951067755 (2.05378e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 2.434024674081352 (1.13798e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 2.434024546245138 (5.25205e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 2.43402447271568 (3.0209e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 2.43402442264887 (2.05696e-06% change) linmin: converged after 16 iterations. iteration 42: trace = 2.434024388303356 (1.41106e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 2.434024363248842 (1.02935e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 2.434024345054834 (7.47487e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 2.434024334364265 (4.39214e-07% change) linmin: converged after 6 iterations. iteration 46: trace = 2.434024326949267 (3.04639e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 2.434024320899892 (2.48534e-07% change) linmin: converged after 2 iterations. iteration 48: trace = 2.434024317216973 (1.5131e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 2.434024315167457 (8.42028e-08% change) linmin: converged after 2 iterations. iteration 50: trace = 2.434024314139083 (4.225e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 2.434024313590412 (2.25417e-08% change) linmin: converged after 2 iterations. iteration 52: trace = 2.434024313235237 (1.45921e-08% change) linmin: converged after 2 iterations. iteration 53: trace = 2.434024312972156 (1.08085e-08% change) linmin: converged after 2 iterations. iteration 54: trace = 2.434024312720115 (1.03549e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 2.434024312512642 (8.52389e-09% change) linmin: converged after 2 iterations. iteration 56: trace = 2.434024312381686 (5.38021e-09% change) linmin: converged after 5 iterations. iteration 57: trace = 2.434024312305557 (3.1277e-09% change) linmin: converged after 5 iterations. iteration 58: trace = 2.43402431226277 (1.75786e-09% change) linmin: converged after 5 iterations. iteration 59: trace = 2.434024312237418 (1.04159e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 2.434024312222994 (5.926e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 2.434024312214691 (3.4111e-10% change) linmin: converged after 4 iterations. iteration 62: trace = 2.434024312208376 (2.59427e-10% change) linmin: converged after 4 iterations. iteration 63: trace = 2.434024312203916 (1.83253e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 2.434024312200633 (1.34886e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 2.434024312198264 (9.73374e-11% change) Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 80 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 elapsed time for k point: 31.9497811794281 total elapsed time for run: 31.98018479347229 done Fixing e-field (band 25) phase by -0.24413 + -0.969743i; max ampl. = 0.816569 Outputting fields to /tmp/meepREy4kN/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + 2.70339e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006834745407104492 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995298 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250459154 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086656919 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.0110030162695962 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179290455 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.0101531458712683 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074295762101 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132157818467 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130039205466 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074091853987 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651738028323 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00744432729098274 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846082473489 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117068908677 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744046671679 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992996928429 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800011462347 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187549096868 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578168133488 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994952417877 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329233775762 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389227541902 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565557764014 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783466733805 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164734631855 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836574243196 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194884514588 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126406214108 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039545076355 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940877716805 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900209262322 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051991039538 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730330194419 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677849314165 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458767243676 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426018734292 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940775452601 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482749761328 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.00203481187534167 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048309856952 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.00185832050557658 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707942128221 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450547252923 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503970627782 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689303286632 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618688454 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457823109 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456499506636 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847711346 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207645533782 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.001230391786619745 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986363794925 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.00115248694587591 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112377774731 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292856449817 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332550532409 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132371032226 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701148277678 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884174844436 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.000874757439243248 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0008583544664514737 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113279837489 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380190685438 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477213842137 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627298126695 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000767219441475719 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123535870173 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232467670601 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718792198771 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040602905039 (5.44408% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704219718236 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027046157548 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658432335563 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272313909961 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356679372165 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395880423197 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602131959129 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389668073831 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305337104067 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074244622806 (0.095549% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008038963863 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.000435791942494028 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.000432462329684045 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730210272 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775599662793 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886192328498 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.000423453578635157 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426025476582 (0.0498351% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.000421757921823284 (0.351404% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658762294467 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438052718286 (0.26703% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306122548561 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953845214169 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102365137 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146479140429 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654538547 (0.118317% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953517182827 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835437604056 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361075745 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047469032 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861672964403 (0.0080917% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.000415015769837011 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907927671911 (0.00601852% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628361953296 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394187770554 (0.00564614% change) large trace change predicted (0.0338927%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939304534 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269721607 (0.00158394% change) large trace change predicted (0.0368809%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394958770213 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526280264 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.000414300372581812 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990238712 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401081156 (0.040887% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257883983192 (0.000519577% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987592697 (0.00468217% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000414104237397629 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493238772 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758299471 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443903279 (0.00913783% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873450954302 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345024138 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689703828329 (0.000788491% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555727229 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371795921 (0.000101075% change) large trace change predicted (0.000893308%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390507014 (0.000893392% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541907386 (0.000576138% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539578887 (0.000748963% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.000413932810794674 (0.000511317% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232519382 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983427008 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212288972 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change) large trace change predicted (0.000224737%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391436693 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056153959 (0.000225529% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559419639 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change) large trace change predicted (7.61596e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.000413926105533619 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change) large trace change predicted (7.23447e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894459899 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.000413923952211523 (2.88712e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 0.6861393451690674 total elapsed time for run: 0.6930677890777588 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0064203739166259766 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995298 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250459154 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086656919 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.0110030162695962 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179290455 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.0101531458712683 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074295762101 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132157818467 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130039205466 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074091853987 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651738028323 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00744432729098274 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846082473489 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117068908677 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744046671679 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992996928429 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800011462347 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187549096868 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578168133488 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994952417877 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329233775762 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389227541902 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565557764014 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783466733805 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164734631855 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836574243196 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194884514588 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126406214108 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039545076355 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940877716805 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900209262322 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051991039538 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730330194419 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677849314165 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458767243676 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426018734292 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940775452601 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482749761328 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.00203481187534167 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048309856952 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.00185832050557658 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707942128221 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450547252923 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503970627782 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689303286632 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618688454 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457823109 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456499506636 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847711346 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207645533782 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.001230391786619745 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986363794925 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.00115248694587591 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112377774731 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292856449817 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332550532409 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132371032226 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701148277678 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884174844436 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.000874757439243248 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0008583544664514737 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113279837489 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380190685438 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477213842137 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627298126695 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000767219441475719 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123535870173 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232467670601 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718792198771 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040602905039 (5.44408% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704219718236 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027046157548 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658432335563 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272313909961 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356679372165 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395880423197 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602131959129 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389668073831 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305337104067 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074244622806 (0.095549% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008038963863 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.000435791942494028 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.000432462329684045 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730210272 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775599662793 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886192328498 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.000423453578635157 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426025476582 (0.0498351% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.000421757921823284 (0.351404% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658762294467 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438052718286 (0.26703% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306122548561 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953845214169 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102365137 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146479140429 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654538547 (0.118317% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953517182827 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835437604056 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361075745 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047469032 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861672964403 (0.0080917% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.000415015769837011 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907927671911 (0.00601852% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628361953296 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394187770554 (0.00564614% change) large trace change predicted (0.0338927%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939304534 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269721607 (0.00158394% change) large trace change predicted (0.0368809%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394958770213 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526280264 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.000414300372581812 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990238712 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401081156 (0.040887% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257883983192 (0.000519577% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987592697 (0.00468217% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000414104237397629 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493238772 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758299471 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443903279 (0.00913783% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873450954302 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345024138 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689703828329 (0.000788491% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555727229 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371795921 (0.000101075% change) large trace change predicted (0.000893308%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390507014 (0.000893392% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541907386 (0.000576138% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539578887 (0.000748963% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.000413932810794674 (0.000511317% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232519382 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983427008 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212288972 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change) large trace change predicted (0.000224737%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391436693 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056153959 (0.000225529% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559419639 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change) large trace change predicted (7.61596e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.000413926105533619 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change) large trace change predicted (7.23447e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894459899 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.000413923952211523 (2.88712e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 0.6860909461975098 total elapsed time for run: 0.6925852298736572 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.00647735595703125 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139704128560643 (199.998% change) linmin: converged after 5 iterations. iteration 2: trace = 0.01325247935111975 (5.27448% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01309864585223207 (1.16757% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01180419769830925 (10.396% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01092171084968943 (7.76635% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0104832362042705 (4.09695% change) linmin: converged after 6 iterations. iteration 7: trace = 0.01024244099014652 (2.32364% change) linmin: converged after 9 iterations. iteration 8: trace = 0.009296726181321038 (9.6802% change) linmin: converged after 5 iterations. iteration 9: trace = 0.009092549250416949 (2.22061% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008877950458103788 (2.38835% change) linmin: converged after 6 iterations. iteration 11: trace = 0.008191259878067776 (8.04596% change) linmin: converged after 4 iterations. iteration 12: trace = 0.008096286457343976 (1.16621% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007980245656617101 (1.4436% change) linmin: converged after 6 iterations. iteration 14: trace = 0.007633080390827254 (4.44704% change) linmin: converged after 4 iterations. iteration 15: trace = 0.007551101189687394 (1.0798% change) linmin: converged after 3 iterations. iteration 16: trace = 0.007469146928803855 (1.09125% change) large trace change predicted (3.9796%) linmin: converged after 6 iterations. iteration 17: trace = 0.007061705120440128 (5.60795% change) linmin: converged after 4 iterations. iteration 18: trace = 0.006903078386241062 (2.27181% change) linmin: converged after 4 iterations. iteration 19: trace = 0.006883599985888954 (0.282568% change) large trace change predicted (0.911153%) linmin: converged after 4 iterations. iteration 20: trace = 0.00681525517829826 (0.997818% change) large trace change predicted (3.64606%) linmin: converged after 6 iterations. iteration 21: trace = 0.006414667864077147 (6.05578% change) linmin: converged after 5 iterations. iteration 22: trace = 0.006179070463155562 (3.7415% change) linmin: converged after 3 iterations. iteration 23: trace = 0.006123365667045719 (0.90559% change) large trace change predicted (1.96323%) linmin: converged after 4 iterations. iteration 24: trace = 0.005987920414037494 (2.23668% change) linmin: converged after 5 iterations. iteration 25: trace = 0.00577045887794577 (3.69884% change) linmin: converged after 3 iterations. iteration 26: trace = 0.005717242846854336 (0.926487% change) linmin: converged after 3 iterations. iteration 27: trace = 0.005689514766158294 (0.486169% change) large trace change predicted (2.33743%) linmin: converged after 5 iterations. iteration 28: trace = 0.005515593855524939 (3.10431% change) linmin: converged after 5 iterations. iteration 29: trace = 0.004998906369241024 (9.82809% change) linmin: converged after 6 iterations. iteration 30: trace = 0.0047750227468392 (4.58124% change) linmin: converged after 3 iterations. iteration 31: trace = 0.004746932747066135 (0.590005% change) linmin: converged after 3 iterations. iteration 32: trace = 0.004704286249534733 (0.902455% change) large trace change predicted (2.70435%) linmin: converged after 4 iterations. iteration 33: trace = 0.004559634268193689 (3.12291% change) linmin: converged after 3 iterations. iteration 34: trace = 0.004505785235730644 (1.18801% change) linmin: converged after 4 iterations. iteration 35: trace = 0.004486716278660491 (0.424108% change) large trace change predicted (1.65013%) linmin: converged after 4 iterations. iteration 36: trace = 0.004403659935361575 (1.86846% change) linmin: converged after 5 iterations. iteration 37: trace = 0.00427652681574679 (2.92927% change) linmin: converged after 3 iterations. iteration 38: trace = 0.004241792311810986 (0.815525% change) linmin: converged after 3 iterations. iteration 39: trace = 0.004212672878610267 (0.688853% change) large trace change predicted (2.6159%) linmin: converged after 5 iterations. iteration 40: trace = 0.004078307839058333 (3.24123% change) linmin: converged after 5 iterations. iteration 41: trace = 0.003921854172378827 (3.91126% change) linmin: converged after 3 iterations. iteration 42: trace = 0.003887258230778637 (0.88604% change) linmin: converged after 4 iterations. iteration 43: trace = 0.003877595631595188 (0.24888% change) large trace change predicted (0.564259%) linmin: converged after 3 iterations. iteration 44: trace = 0.003854774509315449 (0.590275% change) linmin: converged after 4 iterations. iteration 45: trace = 0.003806743759075903 (1.25382% change) linmin: converged after 3 iterations. iteration 46: trace = 0.003784645770881508 (0.582186% change) linmin: converged after 4 iterations. iteration 47: trace = 0.003772030283002335 (0.33389% change) large trace change predicted (1.10169%) linmin: converged after 3 iterations. iteration 48: trace = 0.003727677192100772 (1.1828% change) large trace change predicted (2.54483%) linmin: converged after 5 iterations. iteration 49: trace = 0.003617159141799081 (3.00941% change) linmin: converged after 4 iterations. iteration 50: trace = 0.003566314305240271 (1.41561% change) linmin: converged after 3 iterations. iteration 51: trace = 0.003555267782136195 (0.310227% change) linmin: converged after 3 iterations. iteration 52: trace = 0.003544772930972855 (0.295628% change) large trace change predicted (0.882197%) linmin: converged after 4 iterations. iteration 53: trace = 0.003511336163544016 (0.94774% change) linmin: converged after 4 iterations. iteration 54: trace = 0.003474290018800834 (1.06064% change) linmin: converged after 3 iterations. iteration 55: trace = 0.003461055304604568 (0.38166% change) linmin: converged after 3 iterations. iteration 56: trace = 0.003450064076673498 (0.318074% change) large trace change predicted (0.959984%) linmin: converged after 4 iterations. iteration 57: trace = 0.003414599750455045 (1.03324% change) linmin: converged after 4 iterations. iteration 58: trace = 0.003355264791946304 (1.75291% change) linmin: converged after 3 iterations. iteration 59: trace = 0.003328832118899126 (0.790912% change) linmin: converged after 3 iterations. iteration 60: trace = 0.003316361826965426 (0.375318% change) large trace change predicted (0.782533%) linmin: converged after 3 iterations. iteration 61: trace = 0.003288989405475136 (0.828795% change) large trace change predicted (1.92333%) linmin: converged after 4 iterations. iteration 62: trace = 0.003216637088435873 (2.2243% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0031633288891235 (1.67111% change) linmin: converged after 3 iterations. iteration 64: trace = 0.003147796524626722 (0.492222% change) linmin: converged after 3 iterations. iteration 65: trace = 0.003138735020054819 (0.288283% change) large trace change predicted (0.631443%) linmin: converged after 3 iterations. iteration 66: trace = 0.003117908288074134 (0.665748% change) linmin: converged after 4 iterations. iteration 67: trace = 0.003080073611720689 (1.22087% change) linmin: converged after 3 iterations. iteration 68: trace = 0.003057130980387658 (0.747657% change) linmin: converged after 3 iterations. iteration 69: trace = 0.003044853183462938 (0.40242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.003040645554072147 (0.138284% change) large trace change predicted (0.662844%) linmin: converged after 3 iterations. iteration 71: trace = 0.003020737913830766 (0.656868% change) large trace change predicted (3.15233%) linmin: converged after 4 iterations. iteration 72: trace = 0.00292930566739102 (3.07333% change) linmin: converged after 3 iterations. iteration 73: trace = 0.002880127581963598 (1.69304% change) large trace change predicted (4.94794%) linmin: converged after 4 iterations. iteration 74: trace = 0.002741582966748026 (4.92891% change) linmin: converged after 4 iterations. iteration 75: trace = 0.002701516927257924 (1.47218% change) linmin: converged after 3 iterations. iteration 76: trace = 0.002680059245967761 (0.79745% change) linmin: converged after 3 iterations. iteration 77: trace = 0.002654711663958115 (0.950278% change) linmin: converged after 4 iterations. iteration 78: trace = 0.00263395315502916 (0.785019% change) linmin: converged after 4 iterations. iteration 79: trace = 0.002632703149905708 (0.0474686% change) large trace change predicted (1.11881%) linmin: converged after 3 iterations. iteration 80: trace = 0.002603510908529128 (1.11501% change) linmin: converged after 4 iterations. iteration 81: trace = 0.002602852951166054 (0.0252751% change) large trace change predicted (1.98243%) linmin: converged after 4 iterations. iteration 82: trace = 0.002546719623661904 (2.18012% change) linmin: converged after 4 iterations. iteration 83: trace = 0.002545931326038623 (0.0309582% change) large trace change predicted (0.28249%) linmin: converged after 4 iterations. iteration 84: trace = 0.002538665650581014 (0.285792% change) linmin: converged after 4 iterations. iteration 85: trace = 0.002531307083978984 (0.29028% change) linmin: converged after 4 iterations. iteration 86: trace = 0.002525454518374927 (0.231475% change) linmin: converged after 4 iterations. iteration 87: trace = 0.002519246691417378 (0.246113% change) linmin: converged after 4 iterations. iteration 88: trace = 0.002518419308579481 (0.0328479% change) large trace change predicted (0.184395%) linmin: converged after 4 iterations. iteration 89: trace = 0.002513730250763979 (0.186364% change) linmin: converged after 4 iterations. iteration 90: trace = 0.002512968998810526 (0.0302883% change) large trace change predicted (0.217796%) linmin: converged after 4 iterations. iteration 91: trace = 0.002507432797603135 (0.220548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.002507213225727589 (0.00875722% change) large trace change predicted (0.5147%) linmin: converged after 4 iterations. iteration 93: trace = 0.002493995010863174 (0.528601% change) linmin: converged after 4 iterations. iteration 94: trace = 0.002493329897761381 (0.0266721% change) large trace change predicted (1.39143%) linmin: converged after 4 iterations. iteration 95: trace = 0.002455039003712123 (1.54762% change) linmin: converged after 3 iterations. iteration 96: trace = 0.002452511872111521 (0.10299% change) large trace change predicted (0.991276%) linmin: converged after 4 iterations. iteration 97: trace = 0.002425130456922245 (1.12273% change) linmin: converged after 3 iterations. iteration 98: trace = 0.002414082465642957 (0.456603% change) large trace change predicted (2.45505%) linmin: converged after 6 iterations. iteration 99: trace = 0.00232926143884425 (3.57642% change) linmin: converged after 3 iterations. iteration 100: trace = 0.002325777946603649 (0.149665% change) large trace change predicted (2.34227%) linmin: converged after 6 iterations. iteration 101: trace = 0.002229897091235998 (4.20929% change) linmin: converged after 3 iterations. iteration 102: trace = 0.002223845139965056 (0.271769% change) large trace change predicted (1.18253%) linmin: converged after 6 iterations. iteration 103: trace = 0.002188150132802064 (1.61809% change) linmin: converged after 3 iterations. iteration 104: trace = 0.002182874759977945 (0.241379% change) large trace change predicted (0.876822%) linmin: converged after 5 iterations. iteration 105: trace = 0.002159129103806193 (1.09376% change) linmin: converged after 6 iterations. iteration 106: trace = 0.002089786152922282 (3.26403% change) linmin: converged after 4 iterations. iteration 107: trace = 0.002082927080804095 (0.328758% change) large trace change predicted (0.745454%) linmin: converged after 5 iterations. iteration 108: trace = 0.002064496299123318 (0.888782% change) linmin: converged after 5 iterations. iteration 109: trace = 0.002041753068920313 (1.10774% change) linmin: converged after 3 iterations. iteration 110: trace = 0.002039571461126356 (0.106907% change) large trace change predicted (0.360866%) linmin: converged after 4 iterations. iteration 111: trace = 0.00203162291519282 (0.390477% change) large trace change predicted (1.05067%) linmin: converged after 5 iterations. iteration 112: trace = 0.002004428314296047 (1.34758% change) linmin: converged after 3 iterations. iteration 113: trace = 0.001999407692206722 (0.250791% change) linmin: converged after 3 iterations. iteration 114: trace = 0.001995360220819478 (0.202639% change) large trace change predicted (0.94685%) linmin: converged after 5 iterations. iteration 115: trace = 0.001971823715558564 (1.18656% change) linmin: converged after 4 iterations. iteration 116: trace = 0.001962095654760598 (0.494573% change) linmin: converged after 3 iterations. iteration 117: trace = 0.001959076236913126 (0.154006% change) large trace change predicted (0.748967%) linmin: converged after 5 iterations. iteration 118: trace = 0.001941712280395883 (0.890279% change) linmin: converged after 5 iterations. iteration 119: trace = 0.001923375463955263 (0.948843% change) linmin: converged after 3 iterations. iteration 120: trace = 0.001920556295701355 (0.146681% change) linmin: converged after 3 iterations. iteration 121: trace = 0.001918029912146249 (0.131631% change) large trace change predicted (0.549968%) linmin: converged after 4 iterations. iteration 122: trace = 0.001906201779161867 (0.618589% change) linmin: converged after 4 iterations. iteration 123: trace = 0.001898499562050229 (0.404879% change) linmin: converged after 3 iterations. iteration 124: trace = 0.001896557449814275 (0.10235% change) large trace change predicted (0.277058%) linmin: converged after 3 iterations. iteration 125: trace = 0.001891002137458801 (0.293345% change) large trace change predicted (0.718159%) linmin: converged after 5 iterations. iteration 126: trace = 0.001875212231809554 (0.838503% change) linmin: converged after 3 iterations. iteration 127: trace = 0.001869456093758295 (0.307431% change) linmin: converged after 3 iterations. iteration 128: trace = 0.001867923188187034 (0.082031% change) large trace change predicted (0.22535%) linmin: converged after 3 iterations. iteration 129: trace = 0.001863513871651646 (0.236333% change) large trace change predicted (0.500516%) linmin: converged after 4 iterations. iteration 130: trace = 0.001853142211517864 (0.558118% change) linmin: converged after 3 iterations. iteration 131: trace = 0.001849375854526385 (0.203448% change) linmin: converged after 3 iterations. iteration 132: trace = 0.001848037517131958 (0.0723932% change) large trace change predicted (0.20788%) linmin: converged after 3 iterations. iteration 133: trace = 0.001844026901769776 (0.217256% change) linmin: converged after 4 iterations. iteration 134: trace = 0.001836311623647581 (0.41927% change) linmin: converged after 3 iterations. iteration 135: trace = 0.001833761470105556 (0.13897% change) linmin: converged after 3 iterations. iteration 136: trace = 0.001832871786061251 (0.0485287% change) large trace change predicted (0.135932%) linmin: converged after 3 iterations. iteration 137: trace = 0.001830312047116603 (0.139755% change) large trace change predicted (0.311765%) linmin: converged after 4 iterations. iteration 138: trace = 0.001824235934785314 (0.332523% change) linmin: converged after 3 iterations. iteration 139: trace = 0.001821681787552322 (0.14011% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 0.001821340978755483 (0.0187102% change) large trace change predicted (0.0804528%) linmin: converged after 3 iterations. iteration 141: trace = 0.001819877066132478 (0.0804079% change) large trace change predicted (0.409916%) linmin: converged after 3 iterations. iteration 142: trace = 0.001812499503892364 (0.406211% change) linmin: converged after 3 iterations. iteration 143: trace = 0.001811454519148888 (0.057671% change) large trace change predicted (0.477167%) linmin: converged after 4 iterations. iteration 144: trace = 0.001802735963199116 (0.482462% change) linmin: converged after 2 iterations. iteration 145: trace = 0.001802528129060389 (0.0115295% change) large trace change predicted (0.204614%) linmin: converged after 4 iterations. iteration 146: trace = 0.001798817730664685 (0.206056% change) linmin: converged after 2 iterations. iteration 147: trace = 0.001797914790903732 (0.0502089% change) linmin: converged after 2 iterations. iteration 148: trace = 0.001797855061937365 (0.00332218% change) large trace change predicted (0.0666456%) linmin: converged after 3 iterations. iteration 149: trace = 0.001796663044742081 (0.0663242% change) linmin: converged after 2 iterations. iteration 150: trace = 0.001796554124385083 (0.00606255% change) large trace change predicted (0.0339861%) linmin: converged after 3 iterations. iteration 151: trace = 0.001795941681918807 (0.0340957% change) linmin: converged after 3 iterations. iteration 152: trace = 0.001795556193835764 (0.0214667% change) linmin: converged after 2 iterations. iteration 153: trace = 0.001795537946428974 (0.00101626% change) large trace change predicted (0.0137742%) linmin: converged after 3 iterations. iteration 154: trace = 0.001795291078519722 (0.0137499% change) linmin: converged after 3 iterations. iteration 155: trace = 0.001795240452711556 (0.00281996% change) linmin: converged after 3 iterations. iteration 156: trace = 0.001795226987864461 (0.000750033% change) large trace change predicted (0.00308087%) linmin: converged after 3 iterations. iteration 157: trace = 0.001795171693735686 (0.00308011% change) linmin: converged after 2 iterations. iteration 158: trace = 0.001795171107873165 (3.26355e-05% change) large trace change predicted (0.000971063%) linmin: converged after 2 iterations. iteration 159: trace = 0.001795153665886346 (0.000971611% change) linmin: converged after 2 iterations. iteration 160: trace = 0.001795145309849778 (0.000465479% change) linmin: converged after 2 iterations. iteration 161: trace = 0.00179513965313019 (0.000315113% change) linmin: converged after 2 iterations. iteration 162: trace = 0.001795132316401178 (0.0004087% change) linmin: converged after 2 iterations. iteration 163: trace = 0.001795130761270238 (8.66305e-05% change) large trace change predicted (0.000263293%) linmin: converged after 2 iterations. iteration 164: trace = 0.001795126034816844 (0.000263293% change) linmin: converged after 2 iterations. iteration 165: trace = 0.001795120368150627 (0.00031567% change) linmin: converged after 2 iterations. iteration 166: trace = 0.001795120265519393 (5.71723e-06% change) large trace change predicted (0.000128194%) linmin: converged after 2 iterations. iteration 167: trace = 0.0017951179643805 (0.000128189% change) linmin: converged after 2 iterations. iteration 168: trace = 0.001795116608932586 (7.55075e-05% change) linmin: converged after 2 iterations. iteration 169: trace = 0.00179511627836147 (1.8415e-05% change) large trace change predicted (0.000128111%) linmin: converged after 2 iterations. iteration 170: trace = 0.001795113978637384 (0.00012811% change) linmin: converged after 2 iterations. iteration 171: trace = 0.001795113633503659 (1.92263e-05% change) large trace change predicted (0.000217276%) linmin: converged after 2 iterations. iteration 172: trace = 0.001795109733048387 (0.000217282% change) linmin: converged after 2 iterations. iteration 173: trace = 0.001795108024776292 (9.51626e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 0.00179510771385997 (1.73202e-05% change) linmin: converged after 2 iterations. iteration 175: trace = 0.001795107475576205 (1.32741e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 0.001795107189144143 (1.59563e-05% change) large trace change predicted (4.80671e-05%) linmin: converged after 2 iterations. iteration 177: trace = 0.00179510632617456 (4.80734e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 0.001795105301167742 (5.71001e-05% change) linmin: converged after 2 iterations. iteration 179: trace = 0.00179510525712836 (2.4533e-06% change) large trace change predicted (6.13335e-05%) linmin: converged after 2 iterations. iteration 180: trace = 0.001795104156147833 (6.13324e-05% change) linmin: converged after 2 iterations. iteration 181: trace = 0.001795103906910061 (1.38843e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 0.001795103753578124 (8.54168e-06% change) large trace change predicted (2.98372e-05%) linmin: converged after 2 iterations. iteration 183: trace = 0.001795103217903729 (2.98409e-05% change) linmin: converged after 2 iterations. iteration 184: trace = 0.001795103166259423 (2.87695e-06% change) large trace change predicted (3.00403e-05%) linmin: converged after 3 iterations. iteration 185: trace = 0.001795102627068015 (3.00368e-05% change) linmin: converged after 2 iterations. iteration 186: trace = 0.001795102523467903 (5.77126e-06% change) linmin: converged after 1 iterations. iteration 187: trace = 0.001795102514608244 (4.93546e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 elapsed time for k point: 0.8053989410400391 total elapsed time for run: 0.8119461536407471 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006507396697998047 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.013963968885107 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327343044449466 (5.07052% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01314818569010378 (0.948048% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01141846578827399 (14.0819% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01061430622937801 (7.29967% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0102347107119679 (3.64138% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009988837075719608 (2.43156% change) linmin: converged after 7 iterations. iteration 8: trace = 0.009059508094124929 (9.75758% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008774558877248347 (3.19556% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008664466957180424 (1.26259% change) large trace change predicted (5.16734%) linmin: converged after 8 iterations. iteration 11: trace = 0.007650222378831909 (12.4335% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007407584235922479 (3.22276% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007287287721444142 (1.63726% change) large trace change predicted (4.46443%) linmin: converged after 8 iterations. iteration 14: trace = 0.006585376156714772 (10.1193% change) linmin: converged after 5 iterations. iteration 15: trace = 0.006385665995861183 (3.07932% change) linmin: converged after 5 iterations. iteration 16: trace = 0.006173327684014537 (3.38145% change) large trace change predicted (7.03964%) linmin: converged after 6 iterations. iteration 17: trace = 0.005372344447181201 (13.875% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005203493896296876 (3.19314% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005158140160565367 (0.875417% change) large trace change predicted (7.03307%) linmin: converged after 6 iterations. iteration 20: trace = 0.004551124706256455 (12.5038% change) linmin: converged after 6 iterations. iteration 21: trace = 0.004053087734012703 (11.5766% change) linmin: converged after 4 iterations. iteration 22: trace = 0.003982686104546883 (1.75221% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003851118513789621 (3.35897% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003554514950175319 (8.01021% change) linmin: converged after 4 iterations. iteration 25: trace = 0.003482282941089456 (2.05298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.003443376782551548 (1.12354% change) large trace change predicted (5.80293%) linmin: converged after 6 iterations. iteration 27: trace = 0.003167191653530731 (8.35587% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002727294773792319 (14.9257% change) linmin: converged after 4 iterations. iteration 29: trace = 0.00261408919836408 (4.23881% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002578888610947004 (1.3557% change) large trace change predicted (3.42483%) linmin: converged after 4 iterations. iteration 31: trace = 0.002480493356273773 (3.88962% change) linmin: converged after 4 iterations. iteration 32: trace = 0.002367651133012123 (4.65507% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00233796629705678 (1.26168% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002309522256886928 (1.22406% change) large trace change predicted (5.26705%) linmin: converged after 5 iterations. iteration 35: trace = 0.002163759017492219 (6.51706% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001939452304785408 (10.9332% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00186957222999906 (3.66918% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001846153068852122 (1.26054% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001797037323885004 (2.6963% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001701311179774289 (5.47265% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001657879763084735 (2.58583% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001643731377042975 (0.85706% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001620701965208401 (1.41093% change) large trace change predicted (3.46706%) linmin: converged after 4 iterations. iteration 44: trace = 0.00155921515695374 (3.8672% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001512999776482627 (3.0086% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001497753787335442 (1.01277% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001482591473434224 (1.01749% change) large trace change predicted (3.11595%) linmin: converged after 3 iterations. iteration 48: trace = 0.001433496093899474 (3.36721% change) linmin: converged after 4 iterations. iteration 49: trace = 0.001357637973043123 (5.43565% change) linmin: converged after 3 iterations. iteration 50: trace = 0.001326948326801945 (2.28636% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001316932853658683 (0.757634% change) linmin: converged after 4 iterations. iteration 52: trace = 0.00130499859355095 (0.910341% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001282234360753415 (1.75974% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001266870293558345 (1.20545% change) linmin: converged after 4 iterations. iteration 55: trace = 0.001261655054987313 (0.412512% change) linmin: converged after 4 iterations. iteration 56: trace = 0.00125677986338564 (0.38716% change) large trace change predicted (1.2699%) linmin: converged after 3 iterations. iteration 57: trace = 0.001240453870881619 (1.30753% change) large trace change predicted (2.87445%) linmin: converged after 3 iterations. iteration 58: trace = 0.001202896860403951 (3.07422% change) linmin: converged after 3 iterations. iteration 59: trace = 0.001179735208772778 (1.94421% change) linmin: converged after 4 iterations. iteration 60: trace = 0.001172296235977517 (0.632557% change) linmin: converged after 4 iterations. iteration 61: trace = 0.001166242359716823 (0.517749% change) large trace change predicted (1.07992%) linmin: converged after 3 iterations. iteration 62: trace = 0.001153409487711424 (1.10645% change) linmin: converged after 3 iterations. iteration 63: trace = 0.001139191286254316 (1.24036% change) linmin: converged after 4 iterations. iteration 64: trace = 0.001133617688685817 (0.490459% change) linmin: converged after 4 iterations. iteration 65: trace = 0.001130985118687525 (0.232497% change) linmin: converged after 4 iterations. iteration 66: trace = 0.001126199418161235 (0.424042% change) large trace change predicted (1.0217%) linmin: converged after 4 iterations. iteration 67: trace = 0.001114492081979881 (1.04498% change) linmin: converged after 4 iterations. iteration 68: trace = 0.001104425130402338 (0.907375% change) linmin: converged after 4 iterations. iteration 69: trace = 0.001100671902350251 (0.340414% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.001099857642964197 (0.0740058% change) large trace change predicted (0.448655%) linmin: converged after 3 iterations. iteration 71: trace = 0.001094930579150081 (0.448979% change) linmin: converged after 3 iterations. iteration 72: trace = 0.001092058041034646 (0.262693% change) large trace change predicted (1.1343%) linmin: converged after 3 iterations. iteration 73: trace = 0.001079697301944866 (1.13832% change) linmin: converged after 3 iterations. iteration 74: trace = 0.001075945706008446 (0.348072% change) large trace change predicted (5.69647%) linmin: converged after 3 iterations. iteration 75: trace = 0.001015472061314714 (5.78303% change) linmin: converged after 4 iterations. iteration 76: trace = 0.001011722488235073 (0.369927% change) linmin: converged after 2 iterations. iteration 77: trace = 0.001006696724642162 (0.49799% change) linmin: converged after 3 iterations. iteration 78: trace = 0.001006471831578985 (0.0223422% change) large trace change predicted (0.321601%) linmin: converged after 3 iterations. iteration 79: trace = 0.001003240532948339 (0.321568% change) large trace change predicted (0.843447%) linmin: converged after 3 iterations. iteration 80: trace = 0.0009948316941740013 (0.841695% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0009932059482039139 (0.163553% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0009920100956325559 (0.120476% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0009909098472246269 (0.110973% change) large trace change predicted (0.343974%) linmin: converged after 3 iterations. iteration 84: trace = 0.0009875186028339726 (0.342822% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0009868351271945317 (0.0692354% change) large trace change predicted (0.23392%) linmin: converged after 3 iterations. iteration 86: trace = 0.0009845322568589683 (0.233632% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0009832644457029389 (0.128856% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0009830636446443047 (0.020424% change) large trace change predicted (0.143137%) linmin: converged after 4 iterations. iteration 89: trace = 0.000981654287726127 (0.143467% change) linmin: converged after 4 iterations. iteration 90: trace = 0.0009807285600283054 (0.0943473% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0009801262096658643 (0.0614375% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0009797003662757565 (0.0434573% change) large trace change predicted (0.150715%) linmin: converged after 4 iterations. iteration 93: trace = 0.0009782177342185247 (0.15145% change) linmin: converged after 4 iterations. iteration 94: trace = 0.0009773746219149113 (0.0862258% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0009769392448670227 (0.0445555% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0009766854231881596 (0.0259847% change) large trace change predicted (0.0932274%) linmin: converged after 4 iterations. iteration 97: trace = 0.0009757710907702626 (0.0936597% change) linmin: converged after 4 iterations. iteration 98: trace = 0.000974760338555612 (0.103639% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0009746951131747228 (0.00669165% change) large trace change predicted (0.066841%) linmin: converged after 4 iterations. iteration 100: trace = 0.0009740429646619571 (0.0669303% change) linmin: converged after 2 iterations. iteration 101: trace = 0.000973903057995954 (0.0143645% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0009736734114930696 (0.0235828% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0009736547111648292 (0.00192061% change) large trace change predicted (0.0320894%) linmin: converged after 4 iterations. iteration 104: trace = 0.000973341966809752 (0.0321258% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0009731524760046547 (0.01947% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0009729383974931011 (0.0220009% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0009728422982404363 (0.00987771% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000972773850866935 (0.00703606% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0009727199318841234 (0.00554296% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0009727001609085182 (0.00203257% change) large trace change predicted (0.00486823%) linmin: converged after 2 iterations. iteration 111: trace = 0.0009726527881008878 (0.00487036% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0009726459001020127 (0.000708169% change) large trace change predicted (0.0028796%) linmin: converged after 2 iterations. iteration 113: trace = 0.0009726178782572927 (0.00288103% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0009726136550693561 (0.000434209% change) large trace change predicted (0.0044832%) linmin: converged after 2 iterations. iteration 115: trace = 0.0009725700210456027 (0.00448637% change) linmin: converged after 3 iterations. iteration 116: trace = 0.0009725477186011459 (0.00229317% change) linmin: converged after 3 iterations. iteration 117: trace = 0.0009725169993835423 (0.00315868% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0009725054398541233 (0.00118863% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0009724922314134557 (0.0013582% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000972485898755359 (0.00065118% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0009724828068150201 (0.000317942% change) large trace change predicted (0.000766325%) linmin: converged after 2 iterations. iteration 122: trace = 0.0009724753544886667 (0.000766323% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0009724751391760871 (2.21407e-05% change) large trace change predicted (0.000487741%) linmin: converged after 3 iterations. iteration 124: trace = 0.0009724703967831301 (0.000487663% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0009724695722731794 (8.47851e-05% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0009724686023173732 (9.97416e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0009724683963285693 (2.11821e-05% change) large trace change predicted (0.000182956%) linmin: converged after 2 iterations. iteration 128: trace = 0.0009724666170982419 (0.00018296% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0009724665630290224 (5.56001e-06% change) large trace change predicted (8.58149e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0009724657284832416 (8.58175e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0009724651010359192 (6.45213e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0009724646247807202 (4.8974e-05% change) large trace change predicted (0.000202977%) linmin: converged after 2 iterations. iteration 133: trace = 0.0009724626509295809 (0.000202974% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0009724620375443918 (6.30755e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0009724615331305616 (5.18698e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0009724608659776705 (6.86046e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0009724601155291436 (7.71701e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0009724600796040628 (3.69425e-06% change) large trace change predicted (1.51509e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0009724599322679013 (1.51509e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0009724599005561722 (3.26098e-06% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0009724598673352763 (3.41617e-06% change) large trace change predicted (1.39418e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0009724597317585379 (1.39416e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0009724596502114002 (8.38566e-06% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0009724596426331552 (7.79286e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 elapsed time for k point: 0.6207678318023682 total elapsed time for run: 0.6273446083068848 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0064849853515625 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396244070952001 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327734802514247 (5.03009% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312938938238583 (1.12061% change) near maximum in trace linmin: converged after 7 iterations. iteration 4: trace = 0.01143971570355311 (13.7545% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01056618625955128 (7.93905% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0100894235250991 (4.6163% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009853432413965239 (2.36667% change) linmin: converged after 9 iterations. iteration 8: trace = 0.008796447371225856 (11.335% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008458573891943778 (3.91623% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008228863764816385 (2.75309% change) large trace change predicted (6.26136%) linmin: converged after 8 iterations. iteration 11: trace = 0.006959104851753761 (16.7206% change) linmin: converged after 5 iterations. iteration 12: trace = 0.00673167590201818 (3.32237% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006525014649972332 (3.11784% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005693152944009995 (13.6168% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005504795126196015 (3.36415% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005182224286174116 (6.03668% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004410551313898079 (16.0886% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004283910857905518 (2.91313% change) linmin: converged after 4 iterations. iteration 19: trace = 0.004224603983459523 (1.39406% change) large trace change predicted (9.32565%) linmin: converged after 6 iterations. iteration 20: trace = 0.003556460288190122 (17.1736% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003124334182187236 (12.9364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003069228500152332 (1.77945% change) large trace change predicted (3.71325%) linmin: converged after 5 iterations. iteration 23: trace = 0.002934336282953766 (4.49374% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00264233173308252 (10.4724% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002571579567269919 (2.71398% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002533478244798919 (1.49269% change) large trace change predicted (7.65005%) linmin: converged after 5 iterations. iteration 27: trace = 0.002278678035554091 (10.5899% change) linmin: converged after 6 iterations. iteration 28: trace = 0.001883039953473477 (19.0132% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001791571188507326 (4.97842% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001767270133709125 (1.36567% change) large trace change predicted (3.86857%) linmin: converged after 4 iterations. iteration 31: trace = 0.00169217116207442 (4.34168% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001555831949290188 (8.39526% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001511411252316229 (2.89646% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001486905418581334 (1.63464% change) large trace change predicted (5.92327%) linmin: converged after 4 iterations. iteration 35: trace = 0.001387435430392555 (6.92124% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001194026459248926 (14.9845% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001122562343194793 (6.16977% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001099956477424317 (2.03426% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001059182240514918 (3.7769% change) linmin: converged after 4 iterations. iteration 40: trace = 0.0009866837679004818 (7.08731% change) linmin: converged after 3 iterations. iteration 41: trace = 0.0009558629208419246 (3.17324% change) linmin: converged after 4 iterations. iteration 42: trace = 0.0009452267884309858 (1.11895% change) linmin: converged after 3 iterations. iteration 43: trace = 0.0009243211032326439 (2.23644% change) large trace change predicted (6.26126%) linmin: converged after 4 iterations. iteration 44: trace = 0.0008615593031079486 (7.02867% change) linmin: converged after 3 iterations. iteration 45: trace = 0.0008134176826413665 (5.74833% change) linmin: converged after 4 iterations. iteration 46: trace = 0.0007986283255418251 (1.83486% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0007852627945740037 (1.68768% change) large trace change predicted (4.77797%) linmin: converged after 3 iterations. iteration 48: trace = 0.0007461125163437629 (5.11309% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0006970945357500939 (6.79292% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0006808926183566773 (2.35153% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0006752932687867483 (0.82575% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0006660950936484398 (1.37144% change) large trace change predicted (3.11166%) linmin: converged after 3 iterations. iteration 53: trace = 0.0006448656203036437 (3.23877% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0006304610544465145 (2.25896% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0006258397561783901 (0.735699% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0006213724158645289 (0.716372% change) large trace change predicted (2.22111%) linmin: converged after 4 iterations. iteration 57: trace = 0.0006073554439309521 (2.28154% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0005849991898567178 (3.74993% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0005750384421344878 (1.71731% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0005705355312952852 (0.786141% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0005627759095241983 (1.36937% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0005488357745412257 (2.50809% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0005415218646086128 (1.34156% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0005394069954728243 (0.391306% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0005374974140719988 (0.354643% change) large trace change predicted (1.05234%) linmin: converged after 4 iterations. iteration 66: trace = 0.0005318034221307215 (1.06499% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0005225513688562095 (1.75502% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0005182232127308791 (0.831718% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0005162072680211521 (0.389769% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0005155092907337273 (0.135304% change) large trace change predicted (0.688124%) linmin: converged after 3 iterations. iteration 71: trace = 0.0005119637368373891 (0.69015% change) linmin: converged after 2 iterations. iteration 72: trace = 0.0005116082162762452 (0.0694666% change) large trace change predicted (2.65047%) linmin: converged after 3 iterations. iteration 73: trace = 0.0004980720955581289 (2.68127% change) linmin: converged after 2 iterations. iteration 74: trace = 0.0004962593830387063 (0.364609% change) large trace change predicted (4.18178%) linmin: converged after 3 iterations. iteration 75: trace = 0.0004755685305165733 (4.25813% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0004613074630966258 (3.04439% change) linmin: converged after 3 iterations. iteration 77: trace = 0.000461086796861826 (0.0478464% change) large trace change predicted (0.213803%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004601018611198662 (0.21384% change) large trace change predicted (1.00026%) linmin: converged after 3 iterations. iteration 79: trace = 0.0004555175354524014 (1.00136% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004514547054394601 (0.895911% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004512636246072304 (0.0423345% change) large trace change predicted (0.206391%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004503349945097374 (0.205996% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0004501374789181844 (0.0438693% change) large trace change predicted (0.562754%) linmin: converged after 3 iterations. iteration 84: trace = 0.0004476360710495486 (0.557247% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0004475864327812843 (0.0110896% change) large trace change predicted (0.12546%) linmin: converged after 3 iterations. iteration 86: trace = 0.0004470257239683097 (0.125352% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004469825667575035 (0.00965477% change) large trace change predicted (0.115451%) linmin: converged after 2 iterations. iteration 88: trace = 0.0004464661248478511 (0.115606% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004464504551906729 (0.00350977% change) large trace change predicted (0.177837%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004456538746359608 (0.178585% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0004456257171319219 (0.00631844% change) large trace change predicted (0.074741%) linmin: converged after 4 iterations. iteration 92: trace = 0.0004452924589958601 (0.0748123% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0004452687856063663 (0.00531651% change) large trace change predicted (0.113007%) linmin: converged after 3 iterations. iteration 94: trace = 0.0004447657260542227 (0.113043% change) linmin: converged after 2 iterations. iteration 95: trace = 0.000444726767362233 (0.00875976% change) large trace change predicted (0.105917%) linmin: converged after 2 iterations. iteration 96: trace = 0.0004442556986460133 (0.105979% change) linmin: converged after 2 iterations. iteration 97: trace = 0.000444245580605219 (0.00227755% change) large trace change predicted (0.0817138%) linmin: converged after 3 iterations. iteration 98: trace = 0.0004438810888303023 (0.082081% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0004438500905866564 (0.0069837% change) large trace change predicted (0.0240443%) linmin: converged after 2 iterations. iteration 100: trace = 0.000443743225500733 (0.0240797% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004437391651983546 (0.000915016% change) large trace change predicted (0.0185711%) linmin: converged after 2 iterations. iteration 102: trace = 0.0004436567046655417 (0.0185848% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0004436180975631598 (0.0087024% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004435965954249043 (0.00484711% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0004435901010886317 (0.00146403% change) large trace change predicted (0.0143213%) linmin: converged after 3 iterations. iteration 106: trace = 0.0004435266121585175 (0.0143135% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0004434983515581526 (0.006372% change) linmin: converged after 3 iterations. iteration 108: trace = 0.0004434761005167122 (0.00501729% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000443471473101567 (0.00104345% change) large trace change predicted (0.00742987%) linmin: converged after 2 iterations. iteration 110: trace = 0.0004434385151229819 (0.00743209% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0004434252055766774 (0.00300149% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004434206868132132 (0.00101906% change) linmin: converged after 2 iterations. iteration 113: trace = 0.000443413692435694 (0.00157738% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004434078981871981 (0.00130675% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0004434060803081369 (0.00040998% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004434035864054549 (0.000562444% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0004433997721779061 (0.000860219% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004433993922834409 (8.56777e-05% change) large trace change predicted (0.000765319%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004433959989793184 (0.000765296% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000443393710753055 (0.00051607% change) linmin: converged after 2 iterations. iteration 121: trace = 0.00044339255522473 (0.00026061% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004433924380077656 (2.64364e-05% change) large trace change predicted (0.000654702%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004433895351567819 (0.000654693% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004433889271465858 (0.000137128% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0004433880632293057 (0.000194844% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004433880312280366 (7.21744e-06% change) large trace change predicted (9.11993e-05%) linmin: converged after 2 iterations. iteration 127: trace = 0.0004433876268650916 (9.11985e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004433874490725832 (4.00987e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0004433873033573146 (3.28641e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004433872992476595 (9.26877e-07% change) Finished solving for bands 1 to 1 after 130 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732 elapsed time for k point: 0.5623307228088379 total elapsed time for run: 0.5688831806182861 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006488800048828125 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396317243285668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327582341516151 (5.0468% change) linmin: converged after 5 iterations. iteration 3: trace = 0.0131392180270813 (1.0343% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142281205604164 (13.9761% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01058525607515258 (7.61135% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01015898370438056 (4.10979% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009918237309124136 (2.3982% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008927971076747502 (10.5089% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008614717279949852 (3.57133% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008466233313039572 (1.73859% change) large trace change predicted (5.78164%) linmin: converged after 8 iterations. iteration 11: trace = 0.007282511328252523 (15.0326% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007044999188587252 (3.31547% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006874592946480029 (2.44844% change) linmin: converged after 8 iterations. iteration 14: trace = 0.006133148163783014 (11.4001% change) linmin: converged after 5 iterations. iteration 15: trace = 0.00596154977038677 (2.83758% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005645565245977392 (5.44467% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004830936611362561 (15.5515% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004686994043991938 (3.02466% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004633898349406407 (1.13928% change) large trace change predicted (8.32154%) linmin: converged after 6 iterations. iteration 20: trace = 0.003985702635394283 (15.04% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003535474708266895 (11.9723% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003476369469566703 (1.68587% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003338185922812975 (4.05554% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00304023988603604 (9.34231% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002968314177461078 (2.39411% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002929179324367631 (1.32717% change) large trace change predicted (6.73473%) linmin: converged after 5 iterations. iteration 27: trace = 0.00266516322242606 (9.43868% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00226371610808418 (16.2896% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002168934509313738 (4.27652% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00214077639914179 (1.30673% change) large trace change predicted (3.62381%) linmin: converged after 4 iterations. iteration 31: trace = 0.002054832936511166 (4.09683% change) linmin: converged after 4 iterations. iteration 32: trace = 0.001928675147154582 (6.334% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001891060682966421 (1.96948% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001863419993347732 (1.47241% change) large trace change predicted (5.5606%) linmin: converged after 5 iterations. iteration 35: trace = 0.001742904243219416 (6.68358% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001553603642031292 (11.4849% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00149051835858315 (4.14473% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001465056863554563 (1.72295% change) large trace change predicted (3.54511%) linmin: converged after 4 iterations. iteration 39: trace = 0.001409511516369738 (3.8646% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001324643607082073 (6.20798% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001293109867389404 (2.40922% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001281892836952946 (0.871225% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001258915302834804 (1.80868% change) large trace change predicted (4.91517%) linmin: converged after 4 iterations. iteration 44: trace = 0.001191045275990163 (5.5405% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001138499727154077 (4.51123% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00112217005831717 (1.44468% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001108595699098917 (1.21701% change) large trace change predicted (3.33729%) linmin: converged after 3 iterations. iteration 48: trace = 0.001069901372311806 (3.55239% change) linmin: converged after 3 iterations. iteration 49: trace = 0.001014621259259575 (5.30386% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0009931819912349258 (2.13559% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0009855932452828896 (0.767014% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0009747198764360718 (1.10935% change) large trace change predicted (2.27865%) linmin: converged after 3 iterations. iteration 53: trace = 0.0009518762291513457 (2.3714% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0009362068769205437 (1.65982% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0009309620734048508 (0.561792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0009261399277891347 (0.519319% change) large trace change predicted (1.55474%) linmin: converged after 4 iterations. iteration 57: trace = 0.0009114740521548155 (1.59619% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000885157723534713 (2.92952% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0008716930715392432 (1.53282% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0008661342145990267 (0.639748% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0008582710080876835 (0.911991% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0008422283021135275 (1.88682% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008310961554440692 (1.33054% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0008278256095158784 (0.394298% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0008259581513831269 (0.225841% change) large trace change predicted (0.54409%) linmin: converged after 4 iterations. iteration 66: trace = 0.0008214375662093993 (0.548816% change) large trace change predicted (1.31796%) linmin: converged after 4 iterations. iteration 67: trace = 0.000810457089246552 (1.34573% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0008022185029618069 (1.02173% change) linmin: converged after 4 iterations. iteration 69: trace = 0.000799064159193558 (0.393977% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007982674272893162 (0.0997579% change) large trace change predicted (0.511106%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007941909654360605 (0.511971% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007934194265668023 (0.097195% change) large trace change predicted (2.05123%) linmin: converged after 3 iterations. iteration 73: trace = 0.0007771906069134629 (2.06656% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0007749505868352607 (0.288636% change) large trace change predicted (3.32417%) linmin: converged after 3 iterations. iteration 75: trace = 0.0007492994742902132 (3.36574% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0007303048045902645 (2.56753% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0007296260899923329 (0.092979% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0007286441023607333 (0.134678% change) large trace change predicted (0.558198%) linmin: converged after 3 iterations. iteration 79: trace = 0.0007245873406189162 (0.558309% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0007180771875030859 (0.902518% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0007177753846900935 (0.0420381% change) large trace change predicted (0.226857%) linmin: converged after 3 iterations. iteration 82: trace = 0.0007161515296084835 (0.226491% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0007160330404445294 (0.0165466% change) large trace change predicted (0.465216%) linmin: converged after 3 iterations. iteration 84: trace = 0.0007127367071706359 (0.461423% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0007126620769587756 (0.0104715% change) large trace change predicted (0.165499%) linmin: converged after 3 iterations. iteration 86: trace = 0.0007114852716408983 (0.165265% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0007114282832243191 (0.0080101% change) large trace change predicted (0.095004%) linmin: converged after 2 iterations. iteration 88: trace = 0.000710752335651195 (0.0950579% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0007107286747977002 (0.00332904% change) large trace change predicted (0.213089%) linmin: converged after 4 iterations. iteration 90: trace = 0.0007092078344352046 (0.214212% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0007089701515793524 (0.0335195% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0007085829024933058 (0.0546363% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0007085381993806709 (0.006309% change) large trace change predicted (0.0927125%) linmin: converged after 4 iterations. iteration 94: trace = 0.0007078806538429843 (0.0928462% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0007072074075412233 (0.0951526% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0007068181437316314 (0.0550575% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0007067093274619584 (0.0153964% change) large trace change predicted (0.0560665%) linmin: converged after 4 iterations. iteration 98: trace = 0.0007063118363032925 (0.0562612% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0007061403184928472 (0.0242865% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0007060950996106257 (0.00640387% change) large trace change predicted (0.0267454%) linmin: converged after 2 iterations. iteration 101: trace = 0.0007059060330955778 (0.0267799% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0007058881454635251 (0.00253403% change) large trace change predicted (0.0136289%) linmin: converged after 3 iterations. iteration 103: trace = 0.0007057919581194113 (0.0136274% change) linmin: converged after 3 iterations. iteration 104: trace = 0.0007057842514750095 (0.00109192% change) large trace change predicted (0.0186307%) linmin: converged after 3 iterations. iteration 105: trace = 0.0007056529475520776 (0.0186057% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0007056483369613913 (0.000653381% change) large trace change predicted (0.0148068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0007055439182106634 (0.0147987% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0007055329036022919 (0.00156116% change) large trace change predicted (0.0110758%) linmin: converged after 2 iterations. iteration 109: trace = 0.0007054546515592812 (0.0110918% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0007054502743526807 (0.000620482% change) large trace change predicted (0.00195447%) linmin: converged after 2 iterations. iteration 111: trace = 0.0007054364838129145 (0.00195488% change) linmin: converged after 3 iterations. iteration 112: trace = 0.00070542386447461 (0.00178889% change) linmin: converged after 3 iterations. iteration 113: trace = 0.0007054118291849119 (0.00170612% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000705406589596326 (0.000742773% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0007054022952448521 (0.000608779% change) large trace change predicted (0.00136007%) linmin: converged after 2 iterations. iteration 116: trace = 0.0007053927001440852 (0.00136024% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0007053920786219404 (8.81101e-05% change) large trace change predicted (0.00165021%) linmin: converged after 2 iterations. iteration 118: trace = 0.0007053804353967307 (0.00165062% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0007053797879385894 (9.17885e-05% change) large trace change predicted (0.000677675%) linmin: converged after 3 iterations. iteration 120: trace = 0.0007053750082370517 (0.000677609% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0007053742081007403 (0.000113434% change) large trace change predicted (0.000715979%) linmin: converged after 3 iterations. iteration 122: trace = 0.0007053691586075229 (0.000715863% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0007053690877136361 (1.00506e-05% change) large trace change predicted (0.000338665%) linmin: converged after 2 iterations. iteration 124: trace = 0.0007053666990218524 (0.000338645% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0007053665919398855 (1.5181e-05% change) large trace change predicted (0.000210995%) linmin: converged after 2 iterations. iteration 126: trace = 0.0007053651035997121 (0.000211003% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0007053650603494803 (6.13161e-06% change) large trace change predicted (3.74998e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0007053647958367587 (3.75001e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0007053645526035715 (3.44833e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0007053644026624938 (2.12572e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0007053642119763844 (2.70337e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0007053641295694841 (1.16829e-05% change) large trace change predicted (3.47577e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0007053638844030276 (3.47574e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0007053638768681148 (1.06823e-06% change) large trace change predicted (6.4584e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0007053634213077322 (6.45852e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.000705363382080597 (5.56127e-06% change) large trace change predicted (2.17913e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0007053632283731705 (2.17912e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0007053632203734074 (1.13413e-06% change) large trace change predicted (1.65302e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0007053631037760395 (1.65301e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0007053630961879888 (1.07577e-06% change) large trace change predicted (8.44799e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0007053630365991247 (8.44797e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0007053630328314389 (5.34148e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 elapsed time for k point: 0.6152911186218262 total elapsed time for run: 0.6218488216400146 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006472349166870117 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271668064178 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684595598254 (5.03584% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313324005126226 (1.08751% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143110159340448 (13.8586% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105716647670391 (7.81208% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011480006995593 (4.41704% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876896507317543 (2.38002% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008845869823225553 (11.0136% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008516806987345598 (3.79046% change) linmin: converged after 5 iterations. iteration 10: trace = 0.0083259027376308 (2.26691% change) large trace change predicted (6.10025%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074435671147812 (16.2525% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006841983821332298 (3.34068% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006643948104508374 (2.93692% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865142910620674 (12.4518% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690265827181827 (3.02676% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005358817859012478 (5.99956% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004559992561401731 (16.1073% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004422633268238755 (3.05833% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004367501599121268 (1.2544% change) large trace change predicted (8.81855%) linmin: converged after 6 iterations. iteration 20: trace = 0.00372526030351258 (15.872% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003275912354850025 (12.8364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217291914329528 (1.80559% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089322841871505 (4.05825% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002788506790177374 (10.2356% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710327276287455 (2.84349% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002673641018528812 (1.3628% change) large trace change predicted (6.80645%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438399819545466 (9.20342% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002033628117715322 (18.1024% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001932625575514644 (5.0931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907447121669809 (1.31135% change) large trace change predicted (3.49617%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834380521685669 (3.9054% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00169362700270968 (7.97921% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001645862013262594 (2.86062% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001621572416305719 (1.48677% change) large trace change predicted (5.19604%) linmin: converged after 4 iterations. iteration 35: trace = 0.00152683730460767 (6.01797% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331181621888311 (13.6917% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255055950247379 (5.88698% change) linmin: converged after 3 iterations. iteration 38: trace = 0.00123163863135193 (1.88341% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191185578475442 (3.33933% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001115731224133547 (6.54158% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001081930558997462 (3.07606% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001070713334826591 (1.04218% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050332277581847 (1.92179% change) large trace change predicted (5.53461%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009871633721356356 (6.20064% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009348499846279036 (5.4436% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009186091628567765 (1.75249% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009053624949768703 (1.45251% change) large trace change predicted (4.01003%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008674888829837042 (4.27262% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008159178079870348 (6.12699% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007976349713553913 (2.26616% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007916172097507311 (0.757307% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007826476374209466 (1.13953% change) large trace change predicted (2.68833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007610683319630357 (2.79576% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007448033462340947 (2.16021% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007395059081794688 (0.713792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007349897230015674 (0.612574% change) large trace change predicted (1.82366%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007213725308723415 (1.87003% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006974056183515871 (3.37853% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006857685870887716 (1.68266% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006809629613036115 (0.703229% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000673706500779278 (1.07133% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006595597906839349 (2.12211% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006509089489947768 (1.32027% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006483901390010435 (0.387718% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006465124061252257 (0.290019% change) large trace change predicted (0.811341%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006412331173751737 (0.819927% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006311167036481185 (1.59019% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006255870591535534 (0.880024% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006232810581626358 (0.369295% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006225571731986008 (0.116209% change) large trace change predicted (0.609983%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006187620007011797 (0.611474% change) large trace change predicted (1.73973%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006080141760239587 (1.75221% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006035622678303802 (0.734895% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005956759419083705 (1.31522% change) large trace change predicted (2.85632%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005786878970696843 (2.89315% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005632744308379359 (2.69947% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005628726027644159 (0.0713633% change) large trace change predicted (0.145053%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005620566909415205 (0.14506% change) large trace change predicted (0.920718%) linmin: converged after 3 iterations. iteration 79: trace = 0.000556901268703327 (0.921468% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005530168479638756 (0.699947% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005523447937977833 (0.121599% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005519201577198722 (0.0769084% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005511154675303566 (0.145905% change) large trace change predicted (0.454137%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005486399805402559 (0.450189% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005483001043205825 (0.0619681% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005481437586057971 (0.0285187% change) large trace change predicted (0.103654%) linmin: converged after 3 iterations. iteration 87: trace = 0.000547576267322373 (0.103583% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005471173775120635 (0.0838389% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005469543549641633 (0.0298011% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005468753842729244 (0.0144393% change) large trace change predicted (0.179336%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005458908535775531 (0.180191% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005457402126023019 (0.0275992% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005454536841265851 (0.0525165% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005453725909014505 (0.0148682% change) large trace change predicted (0.0882481%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005448913918825748 (0.088272% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005447734720897967 (0.0216433% change) large trace change predicted (0.0981658%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005442386144206128 (0.0982281% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005442276851007091 (0.00200821% change) large trace change predicted (0.082279%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005437776922392897 (0.0827189% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005437640368095923 (0.00251125% change) large trace change predicted (0.0242661%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005436318787459453 (0.0243073% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005436266544384924 (0.000961006% change) large trace change predicted (0.0202723%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005435163780755752 (0.0202874% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005435111183291713 (0.00096773% change) large trace change predicted (0.0121753%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005434449567637905 (0.0121737% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005434410274724705 (0.000723037% change) large trace change predicted (0.0153686%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005433575837248268 (0.0153559% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005433559425935523 (0.000302036% change) large trace change predicted (0.0117648%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005432920431469617 (0.0117608% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005432896628366095 (0.000438128% change) large trace change predicted (0.00949573%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005432380426691929 (0.00950186% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005432331257739618 (0.000905113% change) large trace change predicted (0.00221037%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005432211163618246 (0.00221075% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005432204746704853 (0.000118127% change) large trace change predicted (0.00265795%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005432060353819213 (0.00265813% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005432036139747535 (0.000445763% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005431990785113428 (0.000834951% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000543197926406157 (0.000212097% change) large trace change predicted (0.000723263%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005431939976708296 (0.000723263% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005431920389551495 (0.000360593% change) large trace change predicted (0.00103864%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005431863971830759 (0.00103864% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005431852869783299 (0.000204388% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005431845310996196 (0.000139157% change) large trace change predicted (0.000337847%) linmin: converged after 2 iterations. iteration 124: trace = 0.0005431826959961974 (0.000337842% change) linmin: converged after 2 iterations. iteration 125: trace = 0.000543179521609897 (0.000584407% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005431788940633948 (0.000115532% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005431787781330771 (2.13429e-05% change) large trace change predicted (0.000240786%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005431774702791236 (0.000240778% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005431773353970666 (2.4832e-05% change) large trace change predicted (0.000112502%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005431767243155191 (0.000112501% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005431767142489218 (1.85328e-06% change) large trace change predicted (2.02553e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005431766042266928 (2.02553e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005431765741613742 (5.53509e-06% change) large trace change predicted (3.94766e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005431763597343601 (3.94765e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005431763503041117 (1.73613e-06% change) large trace change predicted (2.12872e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005431762346775193 (2.12871e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005431762149598008 (3.63008e-06% change) large trace change predicted (1.89982e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005431761117661102 (1.89982e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005431761082614662 (6.45213e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 elapsed time for k point: 0.6013545989990234 total elapsed time for run: 0.607893705368042 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0064814090728759766 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396294122459342 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327637332042484 (5.04101% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313625235226447 (1.06102% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142626466081183 (13.9236% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057784268141234 (7.71149% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101363985755588 (4.26223% change) linmin: converged after 6 iterations. iteration 7: trace = 0.00989707820952058 (2.3892% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008886564416139161 (10.7595% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008565145991401027 (3.68352% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008397849844174292 (1.97248% change) large trace change predicted (5.94936%) linmin: converged after 8 iterations. iteration 11: trace = 0.007175141845432881 (15.7029% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006939886279340907 (3.33341% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006754220864507001 (2.71161% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005999068791962081 (11.8425% change) linmin: converged after 5 iterations. iteration 15: trace = 0.0058281432951154 (2.89038% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005499745249140956 (5.79805% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004689705950892465 (15.8996% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004548216263075897 (3.06324% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004494400626857838 (1.19027% change) large trace change predicted (8.55502%) linmin: converged after 6 iterations. iteration 20: trace = 0.003852697661217761 (15.3755% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00340144141458563 (12.4413% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003342291500873249 (1.75422% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00321073386637918 (4.01517% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002909608419548036 (9.84015% change) linmin: converged after 4 iterations. iteration 25: trace = 0.00283313570204534 (2.66328% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002795671508297314 (1.33116% change) large trace change predicted (6.68769%) linmin: converged after 5 iterations. iteration 27: trace = 0.002551161055532764 (9.14599% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002146624058585261 (17.2225% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002047335440864749 (4.73484% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002021075958936253 (1.2909% change) large trace change predicted (3.49827%) linmin: converged after 4 iterations. iteration 31: trace = 0.001943283503181491 (3.92459% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001807179549767166 (7.25798% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001763263473829649 (2.45998% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001737800359338515 (1.45459% change) large trace change predicted (5.25882%) linmin: converged after 4 iterations. iteration 35: trace = 0.001633741627736746 (6.17277% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001441114809892523 (12.5292% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001370755783738239 (5.00443% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001346317415236346 (1.79887% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001298937134882012 (3.58229% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001218627642660845 (6.37993% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001185961764721644 (2.71696% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001174813105179725 (0.944492% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001153265562994512 (1.8511% change) large trace change predicted (5.22719%) linmin: converged after 4 iterations. iteration 44: trace = 0.001087433671155279 (5.87601% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001034298521885585 (5.00866% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00101785103501322 (1.60295% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001004519468269755 (1.31841% change) large trace change predicted (3.61609%) linmin: converged after 3 iterations. iteration 48: trace = 0.000966593968775963 (3.84813% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0009133188303399611 (5.66783% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008935369733063531 (2.18964% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008868840069756368 (0.747348% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008772749495186759 (1.08936% change) large trace change predicted (2.44609%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008552392129446339 (2.54379% change) linmin: converged after 3 iterations. iteration 54: trace = 0.000838952470009195 (1.92266% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0008335405326943089 (0.64717% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0008288283473223893 (0.566924% change) large trace change predicted (1.66737%) linmin: converged after 4 iterations. iteration 57: trace = 0.0008147725921400057 (1.71036% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007900793485051223 (3.07732% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007778204750160264 (1.56373% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007726674683073802 (0.664695% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000764951390190671 (1.00364% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0007496428368889608 (2.02147% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0007398684201165854 (1.31243% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0007370458134004406 (0.38223% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0007351918599742778 (0.251855% change) large trace change predicted (0.666574%) linmin: converged after 4 iterations. iteration 66: trace = 0.0007302607013486256 (0.672988% change) large trace change predicted (1.44705%) linmin: converged after 4 iterations. iteration 67: trace = 0.0007195516691341203 (1.4773% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000712771360890298 (0.946757% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007101173341151617 (0.373048% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007093654384212544 (0.105939% change) large trace change predicted (0.55778%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007054115335799733 (0.558944% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007043508284997924 (0.15048% change) large trace change predicted (2.1297%) linmin: converged after 3 iterations. iteration 73: trace = 0.000689387783738453 (2.14718% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006869429879500523 (0.355263% change) large trace change predicted (3.46402%) linmin: converged after 3 iterations. iteration 75: trace = 0.000663241973037774 (3.51078% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006461474496980401 (2.61107% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006453825708277717 (0.118445% change) linmin: converged after 3 iterations. iteration 78: trace = 0.000644771042408771 (0.0947993% change) large trace change predicted (0.757839%) linmin: converged after 3 iterations. iteration 79: trace = 0.0006399009415597467 (0.758186% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0006345766138962792 (0.835531% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0006342779858428429 (0.0470705% change) large trace change predicted (0.197479%) linmin: converged after 3 iterations. iteration 82: trace = 0.0006330287779099248 (0.197144% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0006328503458957967 (0.028191% change) large trace change predicted (0.477008%) linmin: converged after 3 iterations. iteration 84: trace = 0.0006298664595372162 (0.472614% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0006297884416291778 (0.0123872% change) large trace change predicted (0.134896%) linmin: converged after 3 iterations. iteration 86: trace = 0.0006289405513806965 (0.134722% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000628899974773689 (0.00645179% change) large trace change predicted (0.114108%) linmin: converged after 2 iterations. iteration 88: trace = 0.0006281819528922642 (0.114236% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0006281612812704136 (0.00329076% change) large trace change predicted (0.19915%) linmin: converged after 4 iterations. iteration 90: trace = 0.0006269048027433132 (0.200225% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0006268416995436522 (0.0100663% change) large trace change predicted (0.0707117%) linmin: converged after 4 iterations. iteration 92: trace = 0.0006263980312008425 (0.0708034% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0006263687788696307 (0.00467004% change) large trace change predicted (0.100754%) linmin: converged after 2 iterations. iteration 94: trace = 0.0006257376260450361 (0.100815% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0006254476225700605 (0.0463566% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0006249214954457557 (0.0841555% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0006249085073483286 (0.00207838% change) large trace change predicted (0.0655912%) linmin: converged after 2 iterations. iteration 98: trace = 0.0006244969880428537 (0.0658744% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0006243594162144645 (0.0220316% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0006242411519433767 (0.0189435% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0006242120429824835 (0.0046632% change) large trace change predicted (0.0168475%) linmin: converged after 2 iterations. iteration 102: trace = 0.0006241068170756991 (0.0168588% change) linmin: converged after 3 iterations. iteration 103: trace = 0.000624013238722175 (0.0149951% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0006240067268226183 (0.00104356% change) large trace change predicted (0.0183095%) linmin: converged after 3 iterations. iteration 105: trace = 0.0006238926340011864 (0.0182856% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0006238881804011359 (0.000713843% change) large trace change predicted (0.0117224%) linmin: converged after 3 iterations. iteration 107: trace = 0.0006238150679887561 (0.0117195% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0006238111858541368 (0.000622323% change) large trace change predicted (0.0102983%) linmin: converged after 2 iterations. iteration 109: trace = 0.0006237468869857381 (0.010308% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000623743326660812 (0.000570798% change) large trace change predicted (0.00283281%) linmin: converged after 2 iterations. iteration 111: trace = 0.0006237256523971056 (0.00283362% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0006237252184688532 (6.95704e-05% change) large trace change predicted (0.00313033%) linmin: converged after 2 iterations. iteration 113: trace = 0.0006237056946706671 (0.00313024% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0006237007607944512 (0.000791062% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0006236986742965005 (0.000334536% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000623697778498448 (0.000143627% change) large trace change predicted (0.0013261%) linmin: converged after 2 iterations. iteration 117: trace = 0.0006236895075212086 (0.00132613% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0006236808514364127 (0.00138789% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0006236804477339186 (6.4729e-05% change) large trace change predicted (0.000231625%) linmin: converged after 2 iterations. iteration 120: trace = 0.0006236790031522427 (0.000231622% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0006236775448099834 (0.000233829% change) large trace change predicted (0.000893709%) linmin: converged after 3 iterations. iteration 122: trace = 0.0006236719715208735 (0.000893621% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0006236719287778083 (6.85345e-06% change) large trace change predicted (0.000268391%) linmin: converged after 2 iterations. iteration 124: trace = 0.0006236702549673367 (0.00026838% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0006236701591373879 (1.53655e-05% change) large trace change predicted (0.000167545%) linmin: converged after 2 iterations. iteration 126: trace = 0.0006236691142128373 (0.000167545% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0006236690826243759 (5.06494e-06% change) large trace change predicted (5.07594e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0006236687660521753 (5.07597e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0006236687434016006 (3.63183e-06% change) large trace change predicted (3.23205e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0006236685418293258 (3.23204e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0006236684592828817 (1.32356e-05% change) large trace change predicted (2.8915e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0006236682789503639 (2.89148e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0006236681122852517 (2.67234e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0006236680961513047 (2.58694e-06% change) large trace change predicted (1.20072e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000623668021265655 (1.20073e-05% change) large trace change predicted (3.59892e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0006236677968098799 (3.59896e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0006236677322588586 (1.03502e-05% change) linmin: converged after 1 iterations. iteration 138: trace = 0.0006236677264374833 (9.3341e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 elapsed time for k point: 0.5990054607391357 total elapsed time for run: 0.6055564880371094 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006464242935180664 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777714664 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684379137825 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325504767729 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107375005632 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169175339375 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490401426092 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993337365355 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068471211492 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042059079865 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268487176006 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915033229693 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447360048019 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462502915275 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808450994881 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690963924738635 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359508692909242 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560607785792776 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220513395261 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098356079333 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725891995251578 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651711028274 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890486465157 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308991731852105 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789088865306127 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905417307022 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218255004265 (1.36254% change) large trace change predicted (6.80506%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438970620748649 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189439707574 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181199991457 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998595881864 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919621318485 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173099892836 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646415904548643 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123158550252 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527365709879191 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717514518891 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255605936798469 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184429300583 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709348123899 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235085925415 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435601355861 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218102265449 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833228231255 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987653737035624 (6.19867% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353331996882992 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190902454992681 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058432716870005 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679702052056745 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163905684561146 (6.12454% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981007598691239 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920806224588651 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831093799169881 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615281850388767 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452606117657019 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399618151057359 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354447922297769 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218265362412171 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000697856188177079 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862156205563847 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814084079920771 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741504129083885 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599992909217021 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513436270725466 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488234806081219 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469458212858577 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416678507492177 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315481800942865 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260133894750784 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237060645345516 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229820697130229 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191860209832679 (0.611197% change) large trace change predicted (1.75539%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083342491997321 (1.76808% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039816651696602 (0.718061% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953484410814782 (1.43967% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790995758315432 (2.76706% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661273599037 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632765099685388 (0.0682848% change) large trace change predicted (0.152934%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624156810539749 (0.152942% change) large trace change predicted (0.911932%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573060269262937 (0.912665% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534006161062365 (0.70323% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527443191066584 (0.118664% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552321941087918 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515158430645728 (0.146054% change) large trace change predicted (0.4562%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490274322829425 (0.452215% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486973491247433 (0.0601395% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485468627342601 (0.0274299% change) large trace change predicted (0.104833%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479724982133001 (0.104761% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475044292173427 (0.0854548% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473523724160804 (0.0277766% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472797511589897 (0.0132686% change) large trace change predicted (0.180542%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462878420895008 (0.181408% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461204694109087 (0.0306429% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458502963189519 (0.0494836% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457795958088253 (0.0129532% change) large trace change predicted (0.0900913%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452879826596135 (0.090116% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451433594486787 (0.0265259% change) large trace change predicted (0.0932206%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446351038593462 (0.0932769% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446244809466873 (0.00195048% change) large trace change predicted (0.0828769%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441708676880529 (0.0833239% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441560011681691 (0.002732% change) large trace change predicted (0.0234907%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440279807558005 (0.0235292% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440224863447266 (0.00100996% change) large trace change predicted (0.0204396%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439112184856256 (0.0204549% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439049728355746 (0.00114829% change) large trace change predicted (0.011884%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438403475056866 (0.0118824% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438367330665794 (0.000664616% change) large trace change predicted (0.0154665%) linmin: converged after 3 iterations. iteration 107: trace = 0.000543752697087774 (0.0154536% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437509115474623 (0.000328374% change) large trace change predicted (0.011514%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436883284916223 (0.0115102% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436849331146313 (0.00062451% change) large trace change predicted (0.00985792%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436313037312725 (0.00986454% change) linmin: converged after 2 iterations. iteration 112: trace = 0.000543628223359947 (0.00056663% change) large trace change predicted (0.00213147%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436166343014158 (0.00213182% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436156475184067 (0.000181522% change) large trace change predicted (0.00286181%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436000893753474 (0.00286202% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435987502667296 (0.000246341% change) large trace change predicted (0.00070217%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435949333241007 (0.000702164% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435930347529871 (0.000349263% change) large trace change predicted (0.00086659%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435883240482468 (0.00086659% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435871532213766 (0.000215389% change) large trace change predicted (0.000869521%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435824266264684 (0.000869523% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435804116347931 (0.000370688% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435791733251679 (0.000227806% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435778115970986 (0.000250512% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435752134192813 (0.000477978% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435740105292129 (0.000221293% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435737678654199 (4.46423e-05% change) large trace change predicted (0.000217273%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435725868624831 (0.000217267% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435725178690948 (1.26926e-05% change) large trace change predicted (0.000125579%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435718352625732 (0.000125578% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435718240520756 (2.06238e-06% change) large trace change predicted (1.96195e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435717174059936 (1.96195e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435717029106233 (2.66669e-06% change) large trace change predicted (4.27178e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435714707094402 (4.27177e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435714592337895 (2.11116e-06% change) large trace change predicted (2.06103e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435713472024306 (2.06102e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435713377516348 (1.73865e-06% change) large trace change predicted (2.10132e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435712235298091 (2.10132e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435712197209179 (7.00716e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.602771520614624 total elapsed time for run: 0.6093053817749023 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.00644373893737793 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396282863191971 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327661774820583 (5.03836% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313475705921865 (1.07424% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142848206012068 (13.8929% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105745914603802 (7.76156% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012549991920008 (4.33903% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009886881715102248 (2.38471% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008866172559986736 (10.8858% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008540877170779537 (3.73751% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008362498806995414 (2.11056% change) large trace change predicted (6.02681%) linmin: converged after 8 iterations. iteration 11: trace = 0.007124056947380951 (15.9938% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006890108051135823 (3.33875% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006697796647905136 (2.83063% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005932474498657827 (12.1189% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005760215701243487 (2.94644% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005429156740668333 (5.91738% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004623726930956197 (16.0239% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004483952645945583 (3.06937% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004429612849642655 (1.21926% change) large trace change predicted (8.67783%) linmin: converged after 6 iterations. iteration 20: trace = 0.003789077339118057 (15.5873% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003338025666279788 (12.6574% change) linmin: converged after 3 iterations. iteration 22: trace = 0.00327898744641217 (1.78444% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003149820606564701 (4.01838% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002848331511886086 (10.0527% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002770456695464114 (2.77194% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002733517993169456 (1.34226% change) large trace change predicted (6.7119%) linmin: converged after 5 iterations. iteration 27: trace = 0.00249541866449024 (9.10699% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002090277746198257 (17.6698% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001989520888825912 (4.93931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001963871598318604 (1.29758% change) large trace change predicted (3.47594%) linmin: converged after 4 iterations. iteration 31: trace = 0.001888954636065791 (3.88894% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001749742206438526 (7.65177% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001703401511992632 (2.68397% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001678658569913396 (1.46319% change) large trace change predicted (5.18144%) linmin: converged after 4 iterations. iteration 35: trace = 0.001580381819025861 (6.03102% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001385927759964756 (13.1108% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00131210670344504 (5.47221% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001288217074245376 (1.83743% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00124481280291372 (3.42706% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001167068511292494 (6.44678% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001133684462048501 (2.90201% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001122485570886648 (0.992735% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001101592563319621 (1.8788% change) large trace change predicted (5.3706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001037151673680227 (6.02605% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009842870945510444 (5.23039% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009678995947540669 (1.67889% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009546160438150928 (1.38189% change) large trace change predicted (3.80118%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009167470664856399 (4.04721% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008643207672027525 (5.88706% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008453159364097478 (2.22326% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008390202919907254 (0.747552% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008298051200213573 (1.10439% change) large trace change predicted (2.55833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008080190557803306 (2.66037% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007916285670295825 (2.04926% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007862346773215591 (0.683695% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007816219256395592 (0.588415% change) large trace change predicted (1.73592%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007678304831492513 (1.78017% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007435387853682708 (3.21453% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007315946497627243 (1.6194% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007266202507370197 (0.682259% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007191451122385416 (1.03407% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0007044525977511783 (2.06414% change) linmin: converged after 4 iterations. iteration 63: trace = 0.000695282534000708 (1.31026% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006926243539884183 (0.383049% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006907570462260792 (0.269963% change) large trace change predicted (0.737695%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006856288673866012 (0.745166% change) large trace change predicted (1.50311%) linmin: converged after 4 iterations. iteration 67: trace = 0.0006751905099789865 (1.53413% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006690887107595544 (0.907817% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006666308441647106 (0.368021% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000665894766388085 (0.110479% change) large trace change predicted (0.583051%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006620147964762438 (0.584373% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006593874374263351 (0.397662% change) large trace change predicted (1.97433%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006463944470280221 (1.99007% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006439167969048978 (0.384039% change) large trace change predicted (3.60299%) linmin: converged after 3 iterations. iteration 75: trace = 0.0006208046970256257 (3.65489% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006051224312618966 (2.55843% change) linmin: converged after 2 iterations. iteration 77: trace = 0.000604072952216302 (0.173583% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006035815759969485 (0.081377% change) large trace change predicted (0.878809%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005982971756225091 (0.879357% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005936478812236818 (0.780119% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005932851237798021 (0.0611252% change) large trace change predicted (0.129434%) linmin: converged after 3 iterations. iteration 82: trace = 0.0005925186070023991 (0.129282% change) linmin: converged after 3 iterations. iteration 83: trace = 0.000591960055657803 (0.0943118% change) large trace change predicted (0.482135%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005891395700538928 (0.477603% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005890401124208346 (0.0168833% change) large trace change predicted (0.0998023%) linmin: converged after 3 iterations. iteration 86: trace = 0.0005884530666239399 (0.0997111% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005882459274655779 (0.0352068% change) large trace change predicted (0.114927%) linmin: converged after 4 iterations. iteration 88: trace = 0.0005875693650862351 (0.11508% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000587543305272246 (0.00443529% change) large trace change predicted (0.146911%) linmin: converged after 4 iterations. iteration 90: trace = 0.0005866773124815705 (0.147501% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0005863762211877528 (0.0513346% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005859485425552975 (0.0729625% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005859110908195348 (0.00639185% change) large trace change predicted (0.101499%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005853164619594724 (0.101539% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005852989941774284 (0.00298438% change) large trace change predicted (0.116394%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005846175651491142 (0.116492% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005845742989223282 (0.00740105% change) large trace change predicted (0.0708106%) linmin: converged after 3 iterations. iteration 98: trace = 0.0005841585976179939 (0.0711371% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005841389166807432 (0.00336917% change) large trace change predicted (0.0329036%) linmin: converged after 2 iterations. iteration 100: trace = 0.0005839462671581598 (0.0329855% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005839312924220021 (0.00256444% change) large trace change predicted (0.020159%) linmin: converged after 2 iterations. iteration 102: trace = 0.0005838134979407432 (0.0201747% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005837926977464084 (0.00356288% change) large trace change predicted (0.0112663%) linmin: converged after 3 iterations. iteration 104: trace = 0.0005837269323053717 (0.0112658% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005837235328225447 (0.000582377% change) large trace change predicted (0.0172364%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005836230367732186 (0.0172179% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005836125833709429 (0.00179114% change) large trace change predicted (0.0105648%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005835509463284357 (0.0105619% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000583548943557202 (0.000343205% change) large trace change predicted (0.0100451%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005834902830011359 (0.0100529% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005834861943973579 (0.000700717% change) large trace change predicted (0.00228227%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005834728751719851 (0.00228272% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005834693550790069 (0.000603302% change) large trace change predicted (0.00250098%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005834547623777851 (0.00250105% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005834540404858312 (0.000123727% change) large trace change predicted (0.000981181%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005834483159081683 (0.000981158% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005834430901088896 (0.000895679% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005834414461653333 (0.000281766% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005834400433657492 (0.000240436% change) large trace change predicted (0.00122504%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005834328958089031 (0.00122508% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005834306998253623 (0.000376391% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005834302300646657 (8.0517e-05% change) large trace change predicted (0.000409962%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005834278383109859 (0.000409948% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005834254794106206 (0.000404318% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005834241979465602 (0.000219645% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005834239135666899 (4.87433e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.000583423502971132 (7.03769e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.000583422949230357 (9.49124e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005834227993077978 (2.56971e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005834227684917472 (5.28194e-06% change) large trace change predicted (3.57128e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005834225601355955 (3.57127e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005834225295461993 (5.24309e-06% change) large trace change predicted (2.86351e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.000583422362483298 (2.8635e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005834223464450269 (2.749e-06% change) large trace change predicted (2.51074e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005834221999629405 (2.51074e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.00058342219538993 (7.83825e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 elapsed time for k point: 0.5910041332244873 total elapsed time for run: 0.5975174903869629 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006486654281616211 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790268 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.0132768437898853 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801723 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373087121 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201356 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408594478 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404148784 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608208342 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.00851704222118967 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739342033 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363859004 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679768137 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857760522 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909872059 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.00569096440599527 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169257514 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.00456060821010163 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918456057 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767679029 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430729385 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527304132 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899247688 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728392793 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266694633 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816060592 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653116322 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243897101418499 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00203418982666898 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583112908 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976138277 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919992986375 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476476021 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286574502 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538390835 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074183369 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884040442 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316142469 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805750662 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709301622 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433342012 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949626725 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450353899 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573672995 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987654075150004 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335328902478 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772391868 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.000905843603216562 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371086195 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908944570634 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010810609025 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420089687 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983086388 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021284734 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609270861203 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621294935281 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060384531 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493096498 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564988841939 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288337826 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087151743126 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190228429 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995939804922 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.000651343926804659 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794191125 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.000646946120148165 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.000641668150522155 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776209362 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834488207 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063575942236 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823626969904 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.000619186313363401 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731002494 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819543710381 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481802038172 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597029591 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393466568 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767884740382 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234450237 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060494775 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553400878652251 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445946537723 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222163975608 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161191541144 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276985997455 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623118544 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471396887906 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715173951 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960304025 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526468641912 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290351699 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158369006 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310184977 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505697904451 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798750558736 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561276532 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125152974 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353772540491 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544126957 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389173067 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712543187 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539104994 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.000544022759221365 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114907770442 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.000543905244210137 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406201691171 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058016967 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529695585573 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838185131 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886018592078 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000543685205660315 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315751933429 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284957862589 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543616907074114 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200036227 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003612569438 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227288949 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063251706 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933071971916 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960222554 (0.000866676% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874256683229 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826997818801 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806840891876 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794453874277 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840457302 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863202293 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.000543574282977934 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740401792663 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593115397 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.000543572790346718 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077078849 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720964946914 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898524405 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719753635313 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717431546869 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717316753547 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196484011 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102019965 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714959753406 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.000543571492165385 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.6036067008972168 total elapsed time for run: 0.6101598739624023 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006476163864135742 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396277298196032 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327673301526956 (5.0371% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313400658270516 (1.08082% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114297290608976 (13.8764% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057309468687718 (7.78659% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012016037562427 (4.3776% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009881894700145501 (2.38241% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008856077207278063 (10.9491% change) linmin: converged after 6 iterations. iteration 9: trace = 0.00852889711208356 (3.76394% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008344493547057696 (2.18573% change) large trace change predicted (6.06381%) linmin: converged after 8 iterations. iteration 11: trace = 0.007099225571323723 (16.1265% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006865992373895782 (3.3402% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00667070716334527 (2.88527% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00589915660385347 (12.2762% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005725769822099184 (2.98302% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005394233041223711 (5.96289% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004591812089424818 (16.0708% change) linmin: converged after 4 iterations. iteration 18: trace = 0.00445313251050142 (3.06646% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004398441239820115 (1.23574% change) large trace change predicted (8.74475%) linmin: converged after 6 iterations. iteration 20: trace = 0.003757498063073872 (15.7172% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003307049624969673 (12.7524% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003248169195357291 (1.79644% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003119780808147482 (4.03233% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002818482765278311 (10.1477% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002740289464254404 (2.81333% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002703514636485685 (1.35107% change) large trace change predicted (6.74778%) linmin: converged after 5 iterations. iteration 27: trace = 0.002467359186283222 (9.13406% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002062259933127763 (17.8867% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001961187580402064 (5.02417% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001935785449808109 (1.30369% change) large trace change predicted (3.47972%) linmin: converged after 4 iterations. iteration 31: trace = 0.001861930146333954 (3.88946% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001721746455471433 (7.82346% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001674547855855682 (2.77942% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001650063402976132 (1.47292% change) large trace change predicted (5.17495%) linmin: converged after 4 iterations. iteration 35: trace = 0.001553854523947406 (6.0057% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001358699736264833 (13.4009% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001283533375633954 (5.68961% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001259889741029367 (1.8592% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001218118516427464 (3.37135% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001141570259086561 (6.488% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001107914320244999 (2.99232% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001096696612124706 (1.01766% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00107608511348011 (1.89725% change) large trace change predicted (5.44733%) linmin: converged after 4 iterations. iteration 44: trace = 0.001012315861074889 (6.10699% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009596843822365965 (5.33788% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009433542370176429 (1.71622% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009300901235621667 (1.41601% change) large trace change predicted (3.90141%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008922288348191729 (4.15529% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008402236786292222 (6.00365% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008215818528877113 (2.24356% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008154335389723907 (0.751161% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008063590029107708 (1.11907% change) large trace change predicted (2.62064%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007846792856303563 (2.72523% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007683178497697246 (2.10708% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007629615245124783 (0.699588% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007583989713909217 (0.599799% change) large trace change predicted (1.77635%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007447092847884817 (1.82152% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007205764148180748 (3.29395% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007087748391403244 (1.65132% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007038858193914895 (0.692172% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006965316867071886 (1.05028% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006821310634054504 (2.08907% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006732272502924638 (1.31387% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006706397275840157 (0.385086% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006687664955433125 (0.279711% change) large trace change predicted (0.773811%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006635582625729859 (0.781826% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006532764523642646 (1.56159% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000647471635683386 (0.892535% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006450938580202934 (0.367916% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006443641358049454 (0.113183% change) large trace change predicted (0.596167%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006405250771876931 (0.59757% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006341861459408103 (0.994567% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006251090623055943 (1.44161% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006222593712673886 (0.456912% change) large trace change predicted (3.61349%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005998530474227994 (3.66682% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000584377672190079 (2.61357% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005836056887257933 (0.132191% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005831765145368019 (0.0735654% change) large trace change predicted (0.940528%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005777134988166324 (0.941177% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005735210833030355 (0.728334% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005729501811564757 (0.0995929% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005724824656888314 (0.0816662% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005716748811387682 (0.141167% change) large trace change predicted (0.473833%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005689973367340476 (0.469468% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005688164359378534 (0.031798% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005685241086939911 (0.0514054% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005680601706819044 (0.0816372% change) linmin: converged after 4 iterations. iteration 88: trace = 0.0005674452625840404 (0.108306% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005673892515685999 (0.00987122% change) large trace change predicted (0.0466111%) linmin: converged after 2 iterations. iteration 90: trace = 0.0005671245107237177 (0.0466704% change) large trace change predicted (0.149567%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005662735341357651 (0.150164% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005659201341625185 (0.0624275% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005658242203234273 (0.0169497% change) large trace change predicted (0.0719274%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005654172724822857 (0.0719471% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005652372676748607 (0.0318408% change) large trace change predicted (0.0910646%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005647224630710792 (0.0911191% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005645479868322843 (0.0309007% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005643908579115849 (0.0278366% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005641061419384266 (0.0504593% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005639955170980961 (0.0196126% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005639228619948328 (0.012883% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005638118885822105 (0.0196808% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005638049972376018 (0.00122228% change) large trace change predicted (0.0112905%) linmin: converged after 3 iterations. iteration 104: trace = 0.000563741348089987 (0.0112899% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005637272110879474 (0.00250774% change) large trace change predicted (0.0167509%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005636328809173244 (0.0167347% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005636302139016803 (0.000473184% change) large trace change predicted (0.011255%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005635668014332474 (0.0112514% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005635622082828253 (0.000815018% change) large trace change predicted (0.0100084%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005635057669609721 (0.0100156% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005635037764394931 (0.00035324% change) large trace change predicted (0.0026277%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005634889662202282 (0.00262827% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005634882607324401 (0.0001252% change) large trace change predicted (0.00291264%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005634718475843435 (0.00291282% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005634714736823187 (6.63568e-05% change) large trace change predicted (0.000998649%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005634658467070818 (0.000998631% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005634622717771309 (0.000634456% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000563459231407282 (0.000539589% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005634586824728996 (9.74222e-05% change) large trace change predicted (0.00131778%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005634512572225869 (0.00131781% change) linmin: converged after 2 iterations. iteration 121: trace = 0.000563449541599581 (0.000304485% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005634488966648199 (0.000114462% change) large trace change predicted (0.000368054%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005634468229267067 (0.000368044% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005634443003502092 (0.000447705% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005634433325083529 (0.000171773% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005634428207723486 (9.0823e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005634422976097212 (9.28511e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005634420043699701 (5.20443e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.000563441846756934 (2.79733e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005634418013849262 (8.05265e-06% change) large trace change predicted (3.45757e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005634416065711358 (3.45757e-05% change) linmin: converged after 1 iterations. iteration 132: trace = 0.0005634415918236781 (2.61739e-06% change) large trace change predicted (2.99597e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.000563441423019242 (2.99595e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005634414058051567 (3.05517e-06% change) large trace change predicted (2.45802e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000563441267310489 (2.45801e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005634412596039246 (1.36777e-06% change) large trace change predicted (3.39941e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.000563441068065134 (3.39945e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.000563441055533467 (2.22413e-06% change) large trace change predicted (8.09133e-06%) linmin: converged after 2 iterations. iteration 139: trace = 0.0005634410099435899 (8.09133e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0005634410032175157 (1.19375e-06% change) large trace change predicted (4.46351e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0005634409780683264 (4.4635e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0005634409654746057 (2.23514e-06% change) large trace change predicted (1.00797e-05%) linmin: converged after 2 iterations. iteration 143: trace = 0.000563440908681759 (1.00796e-05% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0005634408822215145 (4.69619e-06% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0005634408794977984 (4.83408e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 elapsed time for k point: 0.6301355361938477 total elapsed time for run: 0.6366817951202393 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006475210189819336 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790279 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988494 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801603 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373144121 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177222653 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408588507 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993403842299 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607488024 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042220860731 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268738647074 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915362624252 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447678833311 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00664446285672118 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909923032 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406404344 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169344881 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608209595262 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220917694077 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767029675 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892431128894 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527324271 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899157785 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728547439 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266618841 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815738305 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218652875282 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243897101490796 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189827192646 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583249696 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976246106 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993232512 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00169417347662858 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00164641628661143 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538465078 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074588424 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884497108 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316413764 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805990462 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709568645 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433540852 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949737259 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450456544 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573828031 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540753778747 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335330162741 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773283304 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436033259624 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705373050075 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908946178317 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.000798101081167986 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809421090972 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096984263138 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285022581599 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.00074526092717319 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.000739962129565436 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.000735445106115202 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268494206957 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564990025276 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159289314136 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152697722 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507191304969 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940863893 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268837216 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794904634 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202214508 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681506092607 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477707126 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835193845 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576621431 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627653167 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134314227 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344730353767 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544200522 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481792472999 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597313385 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393738378 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885227017 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234313865 (0.152949% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060820175 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553400878679191 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947027221 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552322216445876 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192022421 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986335131 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231642433 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397401571 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715635808 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960657026 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646911789 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290891111 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158850852 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310462049 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698385592 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751141933 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.000545288256175192 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125284867 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773024541 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544612204 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389625204 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712975067 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539585556 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689452 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908238702 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442553742 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202165286 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492352 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696057163 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838653327 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019079089 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057075703 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752388618 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.000543628495833425 (0.000566452% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071218295 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200508298 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613031127 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227760568 (0.000246234% change) large trace change predicted (0.00070207%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063733042 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.00054359330724436 (0.000349365% change) large trace change predicted (0.000866677%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960685875 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257154743 (0.000215301% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998302949 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841363679 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454339354 (0.000227879% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840929216 (0.00025044% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863682015 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830251136 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402262138 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593587193 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903939494 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077550639 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965418655 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898996206 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754107222 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432018639 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317225239 (2.11184e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196955787 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102491798 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960225195 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922125603 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.6024653911590576 total elapsed time for run: 0.6090197563171387 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006507158279418945 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627453234668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327678895732443 (5.03648% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313363091101697 (1.0841% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143038892737028 (13.8678% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057238111550542 (7.79909% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011752134406265 (4.39693% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009879432781964499 (2.38125% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008851061111638534 (10.9807% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008522952955235046 (3.777% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008335408564975862 (2.22494% change) large trace change predicted (6.08184%) linmin: converged after 8 iterations. iteration 11: trace = 0.007087003152221757 (16.1895% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006854146058619612 (3.34057% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006657474932032057 (2.91114% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005882487151484895 (12.3603% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005708413868474088 (3.00362% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005376848409001793 (5.98209% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004576121726576717 (16.0902% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004438061818876427 (3.06317% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004383166022229881 (1.24463% change) large trace change predicted (8.78014%) linmin: converged after 6 iterations. iteration 20: trace = 0.003741707625373545 (15.79% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003291730464789618 (12.7954% change) linmin: converged after 3 iterations. iteration 22: trace = 0.00323296361365317 (1.80137% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003104832650725999 (4.04339% change) linmin: converged after 6 iterations. iteration 24: trace = 0.0028037328238545 (10.192% change) linmin: converged after 4 iterations. iteration 25: trace = 0.00272549979575612 (2.8298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.00268877892825142 (1.35645% change) large trace change predicted (6.77346%) linmin: converged after 5 iterations. iteration 27: trace = 0.002453217042843278 (9.16227% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002048239457654706 (17.9932% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001947146666235006 (5.06048% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001921857262687753 (1.30728% change) large trace change predicted (3.48607%) linmin: converged after 4 iterations. iteration 31: trace = 0.001848427637430311 (3.89518% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001707910804241009 (7.90233% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001660392701845439 (2.82149% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001636012398390305 (1.47921% change) large trace change predicted (5.18152%) linmin: converged after 4 iterations. iteration 35: trace = 0.001540609388307187 (6.00657% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001345179666361946 (13.5443% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00126948431086243 (5.79006% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001245954740020698 (1.87081% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001204877460885485 (3.35211% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001128884041191235 (6.51253% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001095136827332115 (3.03479% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001083916132125791 (1.02987% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00106342611885985 (1.90841% change) large trace change predicted (5.48869%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009999651603088994 (6.15113% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009474780947119102 (5.39036% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009311870209203887 (1.73432% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009179318603988158 (1.43367% change) large trace change predicted (3.95373%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008800680621571141 (4.21177% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008282748494238419 (6.06356% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0008098098649172428 (2.25446% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008037279075855603 (0.753866% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007947097632042897 (1.12837% change) large trace change predicted (2.65329%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007730802281605836 (2.75924% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007567571125206468 (2.13397% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007514269868356672 (0.706827% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007468879959237339 (0.605879% change) large trace change predicted (1.79868%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007332382937661766 (1.8444% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007091847742736814 (3.33515% change) linmin: converged after 4 iterations. iteration 59: trace = 0.000697460119984083 (1.66704% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006926125255783699 (0.697459% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006853107693224471 (1.05982% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006710414599140188 (2.10407% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006622634864220272 (1.31672% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006597098242442245 (0.386341% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006578341892558789 (0.284717% change) large trace change predicted (0.792077%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006525900725209967 (0.800369% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006423889616197569 (1.57549% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006367222354210428 (0.886041% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006343807372669772 (0.36842% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006336539383400986 (0.114634% change) large trace change predicted (0.602878%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006298361502094541 (0.604324% change) large trace change predicted (1.59666%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006197950781763823 (1.60705% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006145237767948023 (0.854123% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006094352906658932 (0.83148% change) large trace change predicted (3.28752%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005894510814058584 (3.3338% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005738959982001474 (2.67419% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005734237191063654 (0.0823274% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005728368908955536 (0.10239% change) large trace change predicted (0.937866%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005674860400448248 (0.93848% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005634781462098142 (0.708757% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005628279215109654 (0.115461% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005624017587877296 (0.0757468% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005615784927448529 (0.146491% change) large trace change predicted (0.462977%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005590077500636137 (0.458821% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005587368022581278 (0.0484812% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005585444875679437 (0.0344255% change) large trace change predicted (0.09806%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005579974550806457 (0.0979869% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005574604311140524 (0.0962876% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005573550114431289 (0.0189125% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000557236712140031 (0.0212274% change) large trace change predicted (0.173746%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005562649121681097 (0.174548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005560155450830856 (0.0448389% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005558214414828518 (0.0349158% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005556746092777762 (0.0264206% change) large trace change predicted (0.0768704%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005552475305163842 (0.0768873% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005549565391509682 (0.0524212% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005545759625776974 (0.0686012% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005545580258742105 (0.00323436% change) large trace change predicted (0.0788885%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005541184642602463 (0.0792948% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005540827416426181 (0.00644696% change) large trace change predicted (0.0221441%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005539598645880117 (0.0221791% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005539509641402986 (0.00160671% change) large trace change predicted (0.0194904%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005538429307990059 (0.0195042% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005538212510814802 (0.00391449% change) large trace change predicted (0.00948118%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005537687493451267 (0.00948036% change) linmin: converged after 3 iterations. iteration 106: trace = 0.0005537545264295007 (0.00256842% change) large trace change predicted (0.0139068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005536775826948541 (0.0138959% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005536699714180234 (0.00137469% change) large trace change predicted (0.0109183%) linmin: converged after 3 iterations. iteration 109: trace = 0.000553609541971647 (0.0109149% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005536073766928733 (0.000391121% change) large trace change predicted (0.00997282%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005535521304986146 (0.00997981% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005535500119164885 (0.000382726% change) large trace change predicted (0.00221526%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005535377473214456 (0.00221565% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005535371237615334 (0.00011265% change) large trace change predicted (0.00299101%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005535205665764597 (0.00299121% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005535202706804172 (5.34571e-05% change) large trace change predicted (0.00100099%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005535147301454523 (0.00100097% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005535144229078852 (5.55067e-05% change) large trace change predicted (0.00104748%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005535086249694815 (0.00104748% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005535083269111417 (5.38489e-05% change) large trace change predicted (0.00126845%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005535013059523242 (0.00126845% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005535011997657242 (1.91845e-05% change) large trace change predicted (0.000431366%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005534988122002452 (0.000431358% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005534985693850205 (4.38692e-05% change) large trace change predicted (0.000714089%) linmin: converged after 2 iterations. iteration 125: trace = 0.0005534946171051055 (0.000714057% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005534945841831638 (5.94801e-06% change) large trace change predicted (0.000246508%) linmin: converged after 2 iterations. iteration 127: trace = 0.0005534932198247655 (0.000246499% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005534931321703183 (1.58366e-05% change) large trace change predicted (0.000135235%) linmin: converged after 2 iterations. iteration 129: trace = 0.0005534923836579644 (0.000135234% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005534923401820672 (7.85483e-06% change) large trace change predicted (2.09979e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005534922239600052 (2.0998e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005534922081138453 (2.86294e-06% change) large trace change predicted (4.04808e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005534919840565648 (4.04807e-05% change) linmin: converged after 1 iterations. iteration 134: trace = 0.0005534919663682655 (3.19576e-06% change) large trace change predicted (2.36162e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000553491835655066 (2.36161e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005534918255761874 (1.82096e-06% change) large trace change predicted (2.26881e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005534916999995936 (2.26881e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005534916950358864 (8.96799e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 elapsed time for k point: 0.5951313972473145 total elapsed time for run: 0.6017088890075684 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006510734558105469 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988492 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801901 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086895 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201632 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.010114904085955 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404152084 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608214096 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221208209 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739370752 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363883305 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679798472 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857791814 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586580890994385 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406082881 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169326547 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210157557 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918506502 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767732578 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430815513 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651752737873 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899318571 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728471123 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266760042 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816117439 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653175258 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014266685 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826749606 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583188529 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976213356 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993059031 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476536888 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286631224 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538449003 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074250917 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884102342 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316196592 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805805558 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00119170970936277 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433404988 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949686181 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450412442 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573731395 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752091424 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329505629 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577299524 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032755809 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371634375 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945122433 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811180984 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420666169 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983658118 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021835698 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271400371 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295472298 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060919515 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493622616 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989352915 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288845188 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152251829 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190742478 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940329203 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268575549 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719898 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202007415 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505737842 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477672626 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000626013683501441 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576469151 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627496076 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134158947 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731370278 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544211068 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801312867 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597499504 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392587 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885225202 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234860933 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060958973 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786967546 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947017196 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450316 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192021463 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986437733 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623166275 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.000548547139736228 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715651212 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960744757 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646912068 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000547280029082484 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158847613 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310603968 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.00054585056983826 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751030312 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753774 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125531656 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016572 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603002 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648834 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713012351 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580679 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689676 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.000543911490824616 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442572321 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166766 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492498 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696060809 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000543751183865938 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019066618 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078605 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.000543631575240461 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338527 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216119 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511586 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613041888 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764274 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063726313 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447329 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.000543588596069549 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158588 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998293033 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367148 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454347649 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932745 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863676812 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254591 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590635 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077554107 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.5992178916931152 total elapsed time for run: 0.6057991981506348 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0065114498138427734 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988492 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801901 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086895 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201632 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.010114904085955 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404152084 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608214096 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221208209 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739370752 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363883305 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679798472 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857791814 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586580890994385 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406082881 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169326547 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210157557 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918506502 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767732578 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430815513 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651752737873 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899318571 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728471123 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266760042 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816117439 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653175258 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014266685 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826749606 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583188529 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976213356 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993059031 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476536888 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286631224 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538449003 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074250917 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884102342 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316196592 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805805558 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00119170970936277 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433404988 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949686181 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450412442 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573731395 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752091424 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329505629 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577299524 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032755809 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371634375 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945122433 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811180984 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420666169 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983658118 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021835698 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271400371 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295472298 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060919515 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493622616 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989352915 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288845188 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152251829 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190742478 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940329203 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268575549 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719898 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202007415 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505737842 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477672626 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000626013683501441 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576469151 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627496076 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134158947 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731370278 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544211068 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801312867 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597499504 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392587 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885225202 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234860933 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060958973 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786967546 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947017196 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450316 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192021463 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986437733 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623166275 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.000548547139736228 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715651212 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960744757 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646912068 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000547280029082484 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158847613 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310603968 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.00054585056983826 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751030312 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753774 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125531656 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016572 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603002 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648834 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713012351 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580679 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689676 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.000543911490824616 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442572321 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166766 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492498 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696060809 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000543751183865938 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019066618 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078605 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.000543631575240461 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338527 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216119 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511586 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613041888 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764274 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063726313 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447329 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.000543588596069549 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158588 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998293033 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367148 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454347649 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932745 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863676812 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254591 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590635 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077554107 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 .elapsed time for k point: 0.5975179672241211 total elapsed time for run: 0.6040999889373779 done /tmp/meepREy4kN/test_point_defect_state-0: 42.10s /tmp/meepREy4kN/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013568401336669922 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13907098770141602 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.385833740234375 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08530020713806152 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07854747772216797 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09109807014465332 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14189982414245605 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10740542411804199 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09101581573486328 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0782933235168457 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07510519027709961 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07483363151550293 Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b01.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b02.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b03.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b04.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b05.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b06.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b07.te.h5... Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b08.te.h5... solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05928468704223633 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.0688166618347168 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09405303001403809 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11031174659729004 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 ..elapsed time for k point: 0.2467949390411377 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.0490245819091797 done /tmp/meepREy4kN/test_poynting-0: 2.05s /tmp/meepREy4kN/test_resolution-0 ======================== /tmp/meepREy4kN/test_resolution-0: 0.00s /tmp/meepREy4kN/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013620853424072266 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1391596794128418 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3863236904144287 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08520889282226562 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07837224006652832 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09065842628479004 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1414179801940918 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10685038566589355 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09082269668579102 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07859659194946289 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0749213695526123 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.0746917724609375 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05926370620727539 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06885933876037598 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09393787384033203 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1100914478302002 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.24660325050354004 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9282703399658203 done /tmp/meepREy4kN/test_run_te-0: 1.93s /tmp/meepREy4kN/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009748935699462891 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 28.19057071787513 (190.727% change) linmin: converged after 7 iterations. iteration 2: trace = 10.91238426133213 (88.3728% change) linmin: converged after 5 iterations. iteration 3: trace = 10.06024105139971 (8.12624% change) linmin: converged after 4 iterations. iteration 4: trace = 10.00201229636663 (0.580481% change) linmin: converged after 4 iterations. iteration 5: trace = 10.00007845652677 (0.0193364% change) linmin: converged after 2 iterations. iteration 6: trace = 10.00000129987289 (0.000771563% change) linmin: converged after 2 iterations. iteration 7: trace = 10.00000004221536 (1.25766e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.00000000175005 (4.04653e-07% change) Finished solving for bands 2 to 8 after 8 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 elapsed time for k point: 0.023209571838378906 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 5 iterations. iteration 1: trace = 9.880000133291681 (2.3702% change) linmin: converged after 2 iterations. iteration 2: trace = 9.880000004055377 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 elapsed time for k point: 0.008629560470581055 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339346 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 elapsed time for k point: 0.005494594573974609 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56717e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 elapsed time for k point: 0.005426645278930664 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43813e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 elapsed time for k point: 0.005434274673461914 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.97997e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 elapsed time for k point: 0.005463600158691406 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 10.88000039707305 (2.97958% change) linmin: converged after 2 iterations. iteration 2: trace = 10.87999995545266 (4.05901e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929 elapsed time for k point: 0.00861215591430664 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 10.72763995153733 (1.77719% change) linmin: converged after 2 iterations. iteration 2: trace = 10.72763986624717 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 elapsed time for k point: 0.008655071258544922 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.85836182238218 (1.70315% change) linmin: converged after 4 iterations. iteration 2: trace = 10.75311149811511 (0.974023% change) linmin: converged after 4 iterations. iteration 3: trace = 10.72171121561062 (0.292438% change) linmin: converged after 4 iterations. iteration 4: trace = 10.72014292833308 (0.0146283% change) linmin: converged after 2 iterations. iteration 5: trace = 10.72002114849349 (0.001136% change) linmin: converged after 2 iterations. iteration 6: trace = 10.72000263415471 (0.000172708% change) linmin: converged after 2 iterations. iteration 7: trace = 10.72000060484828 (1.89301e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.7200001769306 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 elapsed time for k point: 0.027553081512451172 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 11.28000006011032 (3.51788e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.640312, 0.640312, 0.781025, 0.781025, 1.48661, 1.48661, 1.55242, 1.55242 elapsed time for k point: 0.0054531097412109375 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 12.00000000012884 (4.02124e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.707107, 0.707107, 0.707107, 0.707107, 1.58114, 1.58114, 1.58114, 1.58114 elapsed time for k point: 0.00544428825378418 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 11.04529896859918 (2.80917% change) linmin: converged after 2 iterations. iteration 2: trace = 11.04529779144371 (1.06575e-05% change) linmin: converged after 2 iterations. iteration 3: trace = 11.04529660614459 (1.07313e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 11.04529541260548 (1.08059e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 11.04529421072844 (1.08813e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 11.04529300041396 (1.09577e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 11.04529178156084 (1.1035e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 11.04529055406609 (1.11133e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 11.04528931782503 (1.11925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 11.04528807273116 (1.12726e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 11.04528681867615 (1.13538e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 11.04528555554979 (1.14359e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 11.04528428324 (1.1519e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 11.04528300163266 (1.16032e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 11.04528171061168 (1.16884e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 11.04528041005893 (1.17747e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 11.04527909985421 (1.18621e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 11.04527777987509 (1.19506e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 11.04527644999708 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 11.04527511009332 (1.2131e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 11.04527376003476 (1.2223e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 11.04527239968992 (1.23161e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 11.04527102892502 (1.24104e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 11.04526964760372 (1.2506e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 11.04526825558725 (1.26028e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 11.04526685273423 (1.27009e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 11.04526543890069 (1.28004e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 11.04526401393993 (1.29011e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 11.04526257770253 (1.30032e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 11.04526113003624 (1.31067e-05% change) linmin: converged after 2 iterations. iteration 31: trace = 11.04525967078593 (1.32116e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 11.04525819979352 (1.33179e-05% change) linmin: converged after 2 iterations. iteration 33: trace = 11.04525671689793 (1.34256e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 11.04525522193496 (1.35349e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 11.04525371473728 (1.36457e-05% change) linmin: converged after 2 iterations. iteration 36: trace = 11.04525219513427 (1.3758e-05% change) linmin: converged after 2 iterations. iteration 37: trace = 11.04525066295204 (1.38719e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 11.04524911801332 (1.39874e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 11.04524756013732 (1.41045e-05% change) linmin: converged after 2 iterations. iteration 40: trace = 11.04524598913968 (1.42233e-05% change) linmin: converged after 2 iterations. iteration 41: trace = 11.04524440483243 (1.43438e-05% change) linmin: converged after 2 iterations. iteration 42: trace = 11.04524280702389 (1.4466e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 11.04524119551851 (1.459e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 11.0452395701165 (1.47159e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 11.04523793061477 (1.48435e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 11.0452362768057 (1.49731e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 11.04523460847756 (1.51045e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 11.0452329254143 (1.52379e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 11.04523122739539 (1.53733e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 11.04522951419586 (1.55108e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 11.04522778558607 (1.56503e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 11.04522604133166 (1.57919e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 11.04522428119343 (1.59357e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 11.04522250492716 (1.60818e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 11.04522071228361 (1.623e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 11.04521890300823 (1.63806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 11.04521707684125 (1.65336e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 11.04521523351733 (1.66889e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 11.04521337276557 (1.68467e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 11.04521149430935 (1.7007e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 11.04520959786615 (1.71698e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 11.04520768314745 (1.73353e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 11.0452057498586 (1.75034e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 11.04520379769866 (1.76743e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 11.04520182636015 (1.78479e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 11.04519983552916 (1.80244e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 11.04519782488486 (1.82038e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 11.04519579409965 (1.83861e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 11.04519374283882 (1.85715e-05% change) resetting CG direction... large trace change predicted (0.52935%) linmin: converged after 4 iterations. iteration 70: trace = 10.98570566235606 (0.540042% change) linmin: converged after 4 iterations. iteration 71: trace = 10.96854022981744 (0.156375% change) linmin: converged after 4 iterations. iteration 72: trace = 10.96130326736854 (0.066001% change) linmin: converged after 3 iterations. iteration 73: trace = 10.96015412894814 (0.0104841% change) linmin: converged after 2 iterations. iteration 74: trace = 10.96003366816295 (0.00109909% change) linmin: converged after 2 iterations. iteration 75: trace = 10.96000289704679 (0.000280758% change) linmin: converged after 2 iterations. iteration 76: trace = 10.96000031343341 (2.35731e-05% change) linmin: converged after 2 iterations. iteration 77: trace = 10.96000007994673 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 elapsed time for k point: 0.24515938758850098 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.24000001500887 (1.09258e-06% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.424264, 0.761577, 0.761577, 0.989949, 1.33417, 1.33417, 1.47648, 1.47648 elapsed time for k point: 0.005501270294189453 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.840000001756971 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 elapsed time for k point: 0.005454063415527344 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165837 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 elapsed time for k point: 0.005399942398071289 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76508e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 .elapsed time for k point: 0.0046100616455078125 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350691 at Vector3<0.5, 0.0, 0.0> to 1.0000000000464644 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884213 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555262 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7071067811901179 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266777 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 1.0000000000010276 at Vector3<0.0, 0.0, 0.0> to 1.5811388300846385 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085848 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164035 at Vector3<0.2, 0.0, 0.0> to 1.581138830089242 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.802775637652445 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.3775625228881836 done /tmp/meepREy4kN/test_run_te_no_geometry-0: 0.38s /tmp/meepREy4kN/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0019063949584960938 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 37.07995427807216 (187.597% change) linmin: converged after 10 iterations. iteration 2: trace = 15.08208968479109 (84.3443% change) linmin: converged after 5 iterations. iteration 3: trace = 12.99875116715977 (14.8381% change) linmin: converged after 5 iterations. iteration 4: trace = 11.69137614546987 (10.5903% change) linmin: converged after 6 iterations. iteration 5: trace = 10.73396991772583 (8.53861% change) linmin: converged after 6 iterations. iteration 6: trace = 10.10267619616788 (6.05946% change) linmin: converged after 7 iterations. iteration 7: trace = 9.256976067648564 (8.73673% change) linmin: converged after 5 iterations. iteration 8: trace = 8.850990945429702 (4.48405% change) linmin: converged after 5 iterations. iteration 9: trace = 8.599260233942143 (2.88512% change) linmin: converged after 4 iterations. iteration 10: trace = 8.316373997538543 (3.34467% change) linmin: converged after 7 iterations. iteration 11: trace = 8.106938042095054 (2.55047% change) linmin: converged after 5 iterations. iteration 12: trace = 7.905014359807277 (2.52216% change) linmin: converged after 6 iterations. iteration 13: trace = 7.66004402676575 (3.1477% change) linmin: converged after 5 iterations. iteration 14: trace = 7.496221791814361 (2.16178% change) linmin: converged after 6 iterations. iteration 15: trace = 7.355401169824328 (1.89637% change) linmin: converged after 3 iterations. iteration 16: trace = 7.25138037927162 (1.42428% change) linmin: converged after 4 iterations. iteration 17: trace = 7.18127962592026 (0.971418% change) linmin: converged after 4 iterations. iteration 18: trace = 7.129535994668335 (0.72314% change) linmin: converged after 4 iterations. iteration 19: trace = 7.092299379694719 (0.523654% change) linmin: converged after 4 iterations. iteration 20: trace = 7.062880914156482 (0.415657% change) linmin: converged after 4 iterations. iteration 21: trace = 7.04200912493808 (0.295951% change) linmin: converged after 4 iterations. iteration 22: trace = 7.01524989339069 (0.380718% change) linmin: converged after 4 iterations. iteration 23: trace = 6.993639025788045 (0.308531% change) linmin: converged after 8 iterations. iteration 24: trace = 6.975094420246651 (0.265516% change) linmin: converged after 5 iterations. iteration 25: trace = 6.96129066819734 (0.198097% change) linmin: converged after 4 iterations. iteration 26: trace = 6.952090594751325 (0.132248% change) linmin: converged after 4 iterations. iteration 27: trace = 6.944594434093401 (0.107884% change) linmin: converged after 4 iterations. iteration 28: trace = 6.939427076292032 (0.074436% change) linmin: converged after 4 iterations. iteration 29: trace = 6.935335630125506 (0.0589768% change) linmin: converged after 4 iterations. iteration 30: trace = 6.931440743641201 (0.0561758% change) linmin: converged after 3 iterations. iteration 31: trace = 6.927493558556012 (0.0569623% change) linmin: converged after 4 iterations. iteration 32: trace = 6.924575579446426 (0.0421306% change) linmin: converged after 3 iterations. iteration 33: trace = 6.921956091676289 (0.037836% change) linmin: converged after 3 iterations. iteration 34: trace = 6.919902275915221 (0.0296754% change) linmin: converged after 3 iterations. iteration 35: trace = 6.918509942049907 (0.0201227% change) linmin: converged after 3 iterations. iteration 36: trace = 6.917294696916199 (0.0175667% change) linmin: converged after 3 iterations. iteration 37: trace = 6.916553713254161 (0.0107126% change) linmin: converged after 3 iterations. iteration 38: trace = 6.91592195252564 (0.00913446% change) linmin: converged after 3 iterations. iteration 39: trace = 6.915298971377789 (0.00900833% change) linmin: converged after 3 iterations. iteration 40: trace = 6.91474447112174 (0.00801878% change) linmin: converged after 3 iterations. iteration 41: trace = 6.914095943233724 (0.00937935% change) linmin: converged after 3 iterations. iteration 42: trace = 6.913507656487692 (0.00850887% change) linmin: converged after 8 iterations. iteration 43: trace = 6.913069239480913 (0.00634166% change) linmin: converged after 3 iterations. iteration 44: trace = 6.912734881381486 (0.00483673% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912459643390853 (0.00398169% change) linmin: converged after 4 iterations. iteration 46: trace = 6.912146917653812 (0.00452419% change) linmin: converged after 4 iterations. iteration 47: trace = 6.911807830853411 (0.00490579% change) linmin: converged after 4 iterations. iteration 48: trace = 6.911408698906524 (0.00577481% change) linmin: converged after 4 iterations. iteration 49: trace = 6.910951335392645 (0.00661773% change) linmin: converged after 5 iterations. iteration 50: trace = 6.910392908113636 (0.00808065% change) linmin: converged after 3 iterations. iteration 51: trace = 6.909889294482325 (0.00728804% change) linmin: converged after 3 iterations. iteration 52: trace = 6.909402304349431 (0.00704798% change) linmin: converged after 3 iterations. iteration 53: trace = 6.908895116671033 (0.00734081% change) linmin: converged after 4 iterations. iteration 54: trace = 6.908191912501293 (0.0101788% change) linmin: converged after 4 iterations. iteration 55: trace = 6.90710883112386 (0.0156794% change) linmin: converged after 4 iterations. iteration 56: trace = 6.906076217406182 (0.0149511% change) linmin: converged after 4 iterations. iteration 57: trace = 6.904928772548434 (0.0166164% change) linmin: converged after 4 iterations. iteration 58: trace = 6.903780583710775 (0.0166299% change) linmin: converged after 4 iterations. iteration 59: trace = 6.902624626379937 (0.0167452% change) linmin: converged after 4 iterations. iteration 60: trace = 6.900943191340757 (0.0243623% change) linmin: converged after 4 iterations. iteration 61: trace = 6.899190661670234 (0.0253987% change) linmin: converged after 3 iterations. iteration 62: trace = 6.897351294441989 (0.0266642% change) linmin: converged after 4 iterations. iteration 63: trace = 6.895376358666823 (0.0286373% change) linmin: converged after 4 iterations. iteration 64: trace = 6.893892251740695 (0.0215255% change) linmin: converged after 4 iterations. iteration 65: trace = 6.892335263920407 (0.0225876% change) linmin: converged after 7 iterations. iteration 66: trace = 6.890751058062829 (0.0229877% change) linmin: converged after 9 iterations. iteration 67: trace = 6.889435731369418 (0.0190901% change) linmin: converged after 7 iterations. iteration 68: trace = 6.888124775453085 (0.0190303% change) linmin: converged after 4 iterations. iteration 69: trace = 6.886910014225027 (0.0176371% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.884767233747802 (0.0311187% change) linmin: converged after 4 iterations. iteration 71: trace = 6.882633388107598 (0.0309985% change) linmin: converged after 3 iterations. iteration 72: trace = 6.881095113147398 (0.0223526% change) linmin: converged after 3 iterations. iteration 73: trace = 6.879946597465866 (0.0166923% change) linmin: converged after 3 iterations. iteration 74: trace = 6.879316461763979 (0.00915944% change) linmin: converged after 3 iterations. iteration 75: trace = 6.878537080938592 (0.01133% change) linmin: converged after 4 iterations. iteration 76: trace = 6.877914173461376 (0.00905622% change) linmin: converged after 4 iterations. iteration 77: trace = 6.876925949192698 (0.0143691% change) linmin: converged after 4 iterations. iteration 78: trace = 6.875996382391897 (0.0135181% change) linmin: converged after 4 iterations. iteration 79: trace = 6.874606999429915 (0.0202083% change) linmin: converged after 4 iterations. iteration 80: trace = 6.87371438074915 (0.0129851% change) linmin: converged after 4 iterations. iteration 81: trace = 6.872576207635754 (0.0165597% change) linmin: converged after 7 iterations. iteration 82: trace = 6.870977202633987 (0.0232692% change) linmin: converged after 5 iterations. iteration 83: trace = 6.868687858317934 (0.0333246% change) linmin: converged after 4 iterations. iteration 84: trace = 6.867477619854848 (0.0176212% change) linmin: converged after 4 iterations. iteration 85: trace = 6.866565169788672 (0.0132874% change) linmin: converged after 5 iterations. iteration 86: trace = 6.865179368844953 (0.0201839% change) linmin: converged after 4 iterations. iteration 87: trace = 6.862623639477074 (0.0372344% change) linmin: converged after 9 iterations. iteration 88: trace = 6.861124924024436 (0.0218412% change) linmin: converged after 3 iterations. iteration 89: trace = 6.86020411011665 (0.0134216% change) linmin: converged after 4 iterations. iteration 90: trace = 6.858995938766675 (0.0176129% change) linmin: converged after 8 iterations. iteration 91: trace = 6.858118224149518 (0.0127974% change) linmin: converged after 4 iterations. iteration 92: trace = 6.857128033363196 (0.0144393% change) linmin: converged after 4 iterations. iteration 93: trace = 6.856378784887522 (0.0109272% change) linmin: converged after 3 iterations. iteration 94: trace = 6.855983889140656 (0.0057597% change) linmin: converged after 3 iterations. iteration 95: trace = 6.855775833331903 (0.00303471% change) linmin: converged after 3 iterations. iteration 96: trace = 6.855523309343187 (0.00368344% change) linmin: converged after 3 iterations. iteration 97: trace = 6.855274952752101 (0.00362279% change) linmin: converged after 3 iterations. iteration 98: trace = 6.855160805125712 (0.00166512% change) linmin: converged after 4 iterations. iteration 99: trace = 6.855076132484433 (0.00123517% change) linmin: converged after 4 iterations. iteration 100: trace = 6.854953019016813 (0.00179596% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854818094129846 (0.0019683% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854758809724524 (0.000864861% change) linmin: converged after 4 iterations. iteration 103: trace = 6.854718951325869 (0.000581472% change) linmin: converged after 4 iterations. iteration 104: trace = 6.854683880320641 (0.000511634% change) linmin: converged after 4 iterations. iteration 105: trace = 6.854645200256241 (0.000564288% change) linmin: converged after 5 iterations. iteration 106: trace = 6.854612594542651 (0.000475674% change) linmin: converged after 4 iterations. iteration 107: trace = 6.854584016419467 (0.000416919% change) linmin: converged after 4 iterations. iteration 108: trace = 6.854554271133996 (0.000433948% change) linmin: converged after 3 iterations. iteration 109: trace = 6.854529730460362 (0.000358021% change) linmin: converged after 3 iterations. iteration 110: trace = 6.854510325957323 (0.000283091% change) linmin: converged after 3 iterations. iteration 111: trace = 6.85448944087829 (0.000304692% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854472899994951 (0.000241315% change) linmin: converged after 4 iterations. iteration 113: trace = 6.854456195685512 (0.0002437% change) linmin: converged after 6 iterations. iteration 114: trace = 6.854435502377167 (0.000301896% change) linmin: converged after 4 iterations. iteration 115: trace = 6.854411317435466 (0.000352837% change) linmin: converged after 5 iterations. iteration 116: trace = 6.854399035692262 (0.00017918% change) linmin: converged after 4 iterations. iteration 117: trace = 6.85439110503745 (0.000115702% change) large trace change predicted (0.00026524%) linmin: converged after 4 iterations. iteration 118: trace = 6.854372905590728 (0.000265516% change) linmin: converged after 3 iterations. iteration 119: trace = 6.854352891527244 (0.00029199% change) linmin: converged after 4 iterations. iteration 120: trace = 6.85434355890188 (0.000136156% change) linmin: converged after 4 iterations. iteration 121: trace = 6.854338050697774 (8.03608e-05% change) linmin: converged after 4 iterations. iteration 122: trace = 6.854333109605347 (7.20871e-05% change) linmin: converged after 9 iterations. iteration 123: trace = 6.854329720339158 (4.94471e-05% change) linmin: converged after 5 iterations. iteration 124: trace = 6.854326963725112 (4.02171e-05% change) linmin: converged after 11 iterations. iteration 125: trace = 6.854323815940363 (4.59241e-05% change) linmin: converged after 4 iterations. iteration 126: trace = 6.85432065377065 (4.6134e-05% change) linmin: converged after 5 iterations. iteration 127: trace = 6.854318503229075 (3.1375e-05% change) linmin: converged after 3 iterations. iteration 128: trace = 6.85431648171146 (2.94926e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 6.85431496842183 (2.20779e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 6.854314299958991 (9.75244e-06% change) linmin: converged after 4 iterations. iteration 131: trace = 6.854313678981406 (9.05966e-06% change) linmin: converged after 8 iterations. iteration 132: trace = 6.854312884200549 (1.15953e-05% change) linmin: converged after 14 iterations. iteration 133: trace = 6.854311865489204 (1.48623e-05% change) linmin: converged after 9 iterations. iteration 134: trace = 6.8543112985851 (8.27077e-06% change) linmin: converged after 6 iterations. iteration 135: trace = 6.85431082436196 (6.91861e-06% change) linmin: converged after 19 iterations. iteration 136: trace = 6.85431016755307 (9.58242e-06% change) linmin: converged after 4 iterations. iteration 137: trace = 6.854309289832013 (1.28054e-05% change) linmin: converged after 7 iterations. iteration 138: trace = 6.854308657163957 (9.23022e-06% change) linmin: converged after 7 iterations. iteration 139: trace = 6.854307924048323 (1.06957e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 6.854307417903981 (7.38432e-06% change) linmin: converged after 4 iterations. iteration 141: trace = 6.854306969909167 (6.53596e-06% change) linmin: converged after 10 iterations. iteration 142: trace = 6.854306474593885 (7.22634e-06% change) linmin: converged after 5 iterations. iteration 143: trace = 6.854306058607152 (6.06898e-06% change) linmin: converged after 3 iterations. iteration 144: trace = 6.854305757073451 (4.39919e-06% change) linmin: converged after 9 iterations. iteration 145: trace = 6.854305444818706 (4.5556e-06% change) linmin: converged after 4 iterations. iteration 146: trace = 6.854304890203396 (8.09149e-06% change) linmin: converged after 4 iterations. iteration 147: trace = 6.854304491534048 (5.81634e-06% change) linmin: converged after 8 iterations. iteration 148: trace = 6.854304291620394 (2.91661e-06% change) linmin: converged after 4 iterations. iteration 149: trace = 6.854304060869168 (3.36652e-06% change) linmin: converged after 7 iterations. iteration 150: trace = 6.854303700869671 (5.25217e-06% change) linmin: converged after 4 iterations. iteration 151: trace = 6.854303402069196 (4.35931e-06% change) linmin: converged after 7 iterations. iteration 152: trace = 6.854303138078888 (3.85145e-06% change) linmin: converged after 4 iterations. iteration 153: trace = 6.854302877278233 (3.80492e-06% change) linmin: converged after 6 iterations. iteration 154: trace = 6.85430263973824 (3.46556e-06% change) linmin: converged after 8 iterations. iteration 155: trace = 6.854302422483039 (3.16962e-06% change) linmin: converged after 4 iterations. iteration 156: trace = 6.854302260254244 (2.36682e-06% change) linmin: converged after 6 iterations. iteration 157: trace = 6.8543020229519 (3.46209e-06% change) linmin: converged after 8 iterations. iteration 158: trace = 6.854301803061127 (3.20807e-06% change) linmin: converged after 5 iterations. iteration 159: trace = 6.85430155803313 (3.57481e-06% change) linmin: converged after 4 iterations. iteration 160: trace = 6.85430140416215 (2.24488e-06% change) linmin: converged after 5 iterations. iteration 161: trace = 6.854301308348163 (1.39787e-06% change) linmin: converged after 7 iterations. iteration 162: trace = 6.854301245799444 (9.12547e-07% change) linmin: converged after 5 iterations. iteration 163: trace = 6.854301157825049 (1.28349e-06% change) linmin: converged after 5 iterations. iteration 164: trace = 6.854301069005924 (1.29582e-06% change) linmin: converged after 5 iterations. iteration 165: trace = 6.854301009952136 (8.61558e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 6.854300969705365 (5.87175e-07% change) linmin: converged after 4 iterations. iteration 167: trace = 6.854300948076833 (3.15547e-07% change) linmin: converged after 13 iterations. iteration 168: trace = 6.854300932065348 (2.33598e-07% change) linmin: converged after 4 iterations. iteration 169: trace = 6.854300911070707 (3.06299e-07% change) linmin: converged after 4 iterations. iteration 170: trace = 6.85430089188397 (2.79923e-07% change) linmin: converged after 10 iterations. iteration 171: trace = 6.854300881295973 (1.54472e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 6.85430087306035 (1.20153e-07% change) linmin: converged after 11 iterations. iteration 173: trace = 6.854300860996102 (1.7601e-07% change) linmin: converged after 4 iterations. iteration 174: trace = 6.854300852081534 (1.30058e-07% change) linmin: converged after 4 iterations. iteration 175: trace = 6.85430084275424 (1.36079e-07% change) linmin: converged after 6 iterations. iteration 176: trace = 6.854300830272249 (1.82105e-07% change) linmin: converged after 5 iterations. iteration 177: trace = 6.854300822603414 (1.11884e-07% change) linmin: converged after 4 iterations. iteration 178: trace = 6.854300817983078 (6.74078e-08% change) linmin: converged after 4 iterations. iteration 179: trace = 6.854300813562575 (6.44924e-08% change) linmin: converged after 27 iterations. iteration 180: trace = 6.85430080825131 (7.74881e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 6.854300801798455 (9.41431e-08% change) linmin: converged after 5 iterations. iteration 182: trace = 6.854300795434934 (9.28398e-08% change) linmin: converged after 8 iterations. iteration 183: trace = 6.854300791298354 (6.03501e-08% change) linmin: converged after 6 iterations. iteration 184: trace = 6.854300788124082 (4.63107e-08% change) linmin: converged after 4 iterations. iteration 185: trace = 6.854300785155017 (4.33168e-08% change) linmin: converged after 5 iterations. iteration 186: trace = 6.854300781057044 (5.97869e-08% change) linmin: converged after 4 iterations. iteration 187: trace = 6.854300778450468 (3.80283e-08% change) linmin: converged after 4 iterations. iteration 188: trace = 6.854300776974714 (2.15303e-08% change) linmin: converged after 7 iterations. iteration 189: trace = 6.854300775732911 (1.81171e-08% change) linmin: converged after 21 iterations. iteration 190: trace = 6.854300774376568 (1.97882e-08% change) linmin: converged after 4 iterations. iteration 191: trace = 6.854300773192704 (1.72719e-08% change) linmin: converged after 5 iterations. iteration 192: trace = 6.854300772718631 (6.91643e-09% change) linmin: converged after 4 iterations. iteration 193: trace = 6.854300772373036 (5.04201e-09% change) linmin: converged after 4 iterations. iteration 194: trace = 6.854300771833355 (7.87361e-09% change) linmin: converged after 21 iterations. iteration 195: trace = 6.854300771437645 (5.77317e-09% change) linmin: converged after 15 iterations. iteration 196: trace = 6.854300771260495 (2.58451e-09% change) linmin: converged after 4 iterations. iteration 197: trace = 6.854300771187706 (1.06194e-09% change) linmin: converged after 12 iterations. iteration 198: trace = 6.854300771138262 (7.21357e-10% change) linmin: converged after 4 iterations. iteration 199: trace = 6.854300771070114 (9.94239e-10% change) linmin: converged after 9 iterations. iteration 200: trace = 6.85430077100915 (8.89422e-10% change) linmin: converged after 3 iterations. iteration 201: trace = 6.854300770986218 (3.34562e-10% change) linmin: converged after 2 iterations. iteration 202: trace = 6.854300770974715 (1.67819e-10% change) linmin: converged after 3 iterations. iteration 203: trace = 6.854300770964711 (1.45959e-10% change) linmin: converged after 5 iterations. iteration 204: trace = 6.85430077095844 (9.14962e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 1.0353832244873047 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 7.007537457446258 (11.2703% change) linmin: converged after 5 iterations. iteration 2: trace = 7.003247355935917 (0.06124% change) large trace change predicted (0.442958%) linmin: converged after 5 iterations. iteration 3: trace = 6.97513932471041 (0.402164% change) linmin: converged after 5 iterations. iteration 4: trace = 6.971270251122395 (0.0554849% change) large trace change predicted (0.226623%) linmin: converged after 4 iterations. iteration 5: trace = 6.95626746859895 (0.215441% change) linmin: converged after 5 iterations. iteration 6: trace = 6.933392870171838 (0.329376% change) linmin: converged after 5 iterations. iteration 7: trace = 6.931992239405091 (0.0202033% change) large trace change predicted (0.205291%) linmin: converged after 4 iterations. iteration 8: trace = 6.917331484602 (0.211718% change) linmin: converged after 9 iterations. iteration 9: trace = 6.902037331758033 (0.221344% change) linmin: converged after 4 iterations. iteration 10: trace = 6.900816451921457 (0.0176903% change) linmin: converged after 5 iterations. iteration 11: trace = 6.89872058529172 (0.0303759% change) large trace change predicted (0.158392%) linmin: converged after 6 iterations. iteration 12: trace = 6.88813042232098 (0.153627% change) linmin: converged after 3 iterations. iteration 13: trace = 6.885392679745547 (0.0397537% change) linmin: converged after 11 iterations. iteration 14: trace = 6.881023949808716 (0.0634694% change) large trace change predicted (0.551569%) linmin: converged after 6 iterations. iteration 15: trace = 6.85122300444239 (0.434029% change) linmin: converged after 5 iterations. iteration 16: trace = 6.848570426617911 (0.0387243% change) linmin: converged after 3 iterations. iteration 17: trace = 6.846532554158202 (0.0297606% change) large trace change predicted (0.118504%) linmin: converged after 6 iterations. iteration 18: trace = 6.838958717757984 (0.110684% change) linmin: converged after 3 iterations. iteration 19: trace = 6.838261210950048 (0.0101995% change) large trace change predicted (0.0363602%) linmin: converged after 3 iterations. iteration 20: trace = 6.835756740072389 (0.0366311% change) linmin: converged after 4 iterations. iteration 21: trace = 6.831548373033576 (0.061583% change) linmin: converged after 3 iterations. iteration 22: trace = 6.831144949422955 (0.00590548% change) large trace change predicted (0.0574298%) linmin: converged after 4 iterations. iteration 23: trace = 6.827114355778042 (0.0590206% change) linmin: converged after 4 iterations. iteration 24: trace = 6.823314259527984 (0.0556773% change) linmin: converged after 4 iterations. iteration 25: trace = 6.822904154140413 (0.00601054% change) large trace change predicted (0.0472521%) linmin: converged after 4 iterations. iteration 26: trace = 6.819507863331362 (0.0497902% change) linmin: converged after 4 iterations. iteration 27: trace = 6.818042501412231 (0.0214901% change) linmin: converged after 4 iterations. iteration 28: trace = 6.817386915346895 (0.00961592% change) large trace change predicted (0.0746117%) linmin: converged after 10 iterations. iteration 29: trace = 6.811801994343884 (0.0819553% change) linmin: converged after 4 iterations. iteration 30: trace = 6.811011821202275 (0.0116007% change) linmin: converged after 3 iterations. iteration 31: trace = 6.809751574221748 (0.0185048% change) large trace change predicted (0.0614976%) linmin: converged after 4 iterations. iteration 32: trace = 6.805453233659726 (0.0631403% change) linmin: converged after 4 iterations. iteration 33: trace = 6.805025660305189 (0.006283% change) large trace change predicted (0.0298744%) linmin: converged after 3 iterations. iteration 34: trace = 6.80296458043872 (0.0302922% change) linmin: converged after 3 iterations. iteration 35: trace = 6.800346857992223 (0.0384865% change) linmin: converged after 3 iterations. iteration 36: trace = 6.800157595674935 (0.00278317% change) large trace change predicted (0.0152532%) linmin: converged after 4 iterations. iteration 37: trace = 6.799129608070678 (0.0151183% change) linmin: converged after 4 iterations. iteration 38: trace = 6.797753758086779 (0.0202377% change) linmin: converged after 3 iterations. iteration 39: trace = 6.797626620366234 (0.00187031% change) large trace change predicted (0.0096437%) linmin: converged after 4 iterations. iteration 40: trace = 6.796985860133845 (0.00942668% change) linmin: converged after 3 iterations. iteration 41: trace = 6.796346977919242 (0.00939993% change) linmin: converged after 3 iterations. iteration 42: trace = 6.796284310238764 (0.000922083% change) large trace change predicted (0.00629687%) linmin: converged after 4 iterations. iteration 43: trace = 6.79586753547404 (0.00613258% change) linmin: converged after 4 iterations. iteration 44: trace = 6.795406399081847 (0.00678577% change) linmin: converged after 3 iterations. iteration 45: trace = 6.795367590543146 (0.000571101% change) large trace change predicted (0.00284231%) linmin: converged after 4 iterations. iteration 46: trace = 6.795177122079922 (0.00280296% change) linmin: converged after 3 iterations. iteration 47: trace = 6.794940920007555 (0.00347609% change) linmin: converged after 3 iterations. iteration 48: trace = 6.794907137572094 (0.000497172% change) large trace change predicted (0.00433785%) linmin: converged after 4 iterations. iteration 49: trace = 6.794615934362422 (0.0042857% change) linmin: converged after 3 iterations. iteration 50: trace = 6.794255735051849 (0.00530139% change) linmin: converged after 5 iterations. iteration 51: trace = 6.794217401763936 (0.000564203% change) large trace change predicted (0.00335306%) linmin: converged after 4 iterations. iteration 52: trace = 6.793991213313937 (0.00332919% change) linmin: converged after 4 iterations. iteration 53: trace = 6.793728117339382 (0.00387256% change) linmin: converged after 4 iterations. iteration 54: trace = 6.793694259081174 (0.000498376% change) large trace change predicted (0.00365899%) linmin: converged after 4 iterations. iteration 55: trace = 6.793446263052462 (0.00365045% change) linmin: converged after 4 iterations. iteration 56: trace = 6.793196853596192 (0.00367139% change) linmin: converged after 3 iterations. iteration 57: trace = 6.793167323895753 (0.000434696% change) large trace change predicted (0.00302394%) linmin: converged after 10 iterations. iteration 58: trace = 6.792962143072923 (0.00302045% change) linmin: converged after 4 iterations. iteration 59: trace = 6.792775384990048 (0.00274933% change) linmin: converged after 3 iterations. iteration 60: trace = 6.792756987326691 (0.000270842% change) large trace change predicted (0.00165713%) linmin: converged after 4 iterations. iteration 61: trace = 6.792644650610223 (0.00165379% change) linmin: converged after 3 iterations. iteration 62: trace = 6.792550297390947 (0.00138906% change) linmin: converged after 4 iterations. iteration 63: trace = 6.792537664820014 (0.000185977% change) large trace change predicted (0.00160153%) linmin: converged after 4 iterations. iteration 64: trace = 6.792429262685819 (0.00159591% change) linmin: converged after 3 iterations. iteration 65: trace = 6.792340578232512 (0.00130565% change) linmin: converged after 4 iterations. iteration 66: trace = 6.792331552017195 (0.000132888% change) large trace change predicted (0.000841299%) linmin: converged after 4 iterations. iteration 67: trace = 6.792274567195951 (0.000838962% change) linmin: converged after 3 iterations. iteration 68: trace = 6.792237439770127 (0.000546614% change) linmin: converged after 4 iterations. iteration 69: trace = 6.79223260978665 (7.11104e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.792228297655388 (6.34862e-05% change) large trace change predicted (0.00110166%) linmin: converged after 4 iterations. iteration 71: trace = 6.792153695267506 (0.00109836% change) linmin: converged after 6 iterations. iteration 72: trace = 6.792149581450575 (6.05672e-05% change) large trace change predicted (0.000708831%) linmin: converged after 4 iterations. iteration 73: trace = 6.792101528707402 (0.000707477% change) linmin: converged after 4 iterations. iteration 74: trace = 6.792099860237837 (2.45649e-05% change) large trace change predicted (0.000618981%) linmin: converged after 4 iterations. iteration 75: trace = 6.79205787990562 (0.000618078% change) linmin: converged after 4 iterations. iteration 76: trace = 6.792056168827534 (2.51923e-05% change) large trace change predicted (0.000403212%) linmin: converged after 3 iterations. iteration 77: trace = 6.792028766644234 (0.000403445% change) linmin: converged after 3 iterations. iteration 78: trace = 6.792026998181269 (2.60373e-05% change) large trace change predicted (0.000260644%) linmin: converged after 3 iterations. iteration 79: trace = 6.792009274547162 (0.000260948% change) linmin: converged after 3 iterations. iteration 80: trace = 6.79200845159906 (1.21164e-05% change) large trace change predicted (0.000159635%) linmin: converged after 3 iterations. iteration 81: trace = 6.791997598022605 (0.000159799% change) linmin: converged after 3 iterations. iteration 82: trace = 6.791996904947478 (1.02043e-05% change) large trace change predicted (8.62325e-05%) linmin: converged after 3 iterations. iteration 83: trace = 6.791991045301935 (8.62728e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 6.791990706155061 (4.99334e-06% change) large trace change predicted (6.48367e-05%) linmin: converged after 4 iterations. iteration 85: trace = 6.791986302260665 (6.48395e-05% change) linmin: converged after 5 iterations. iteration 86: trace = 6.791986004162207 (4.38897e-06% change) large trace change predicted (5.18509e-05%) linmin: converged after 4 iterations. iteration 87: trace = 6.791982481881336 (5.18594e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.79198179276332 (1.01461e-05% change) large trace change predicted (5.89483e-05%) linmin: converged after 4 iterations. iteration 89: trace = 6.791977794316667 (5.88701e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 6.791976820443474 (1.43386e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 6.791975615140822 (1.7746e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 6.791973900423805 (2.52462e-05% change) linmin: converged after 7 iterations. iteration 93: trace = 6.791973335488525 (8.31769e-06% change) large trace change predicted (1.69316e-05%) linmin: converged after 12 iterations. iteration 94: trace = 6.791972185590867 (1.69302e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 6.79197155135575 (9.33801e-06% change) linmin: converged after 5 iterations. iteration 96: trace = 6.791970944542422 (8.93427e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.791970211866635 (1.07874e-05% change) linmin: converged after 3 iterations. iteration 98: trace = 6.791969818862496 (5.78631e-06% change) linmin: converged after 3 iterations. iteration 99: trace = 6.791969262211649 (8.19572e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 6.791968708602202 (8.15094e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 6.791968653064911 (8.17691e-07% change) large trace change predicted (5.37706e-06%) linmin: converged after 2 iterations. iteration 102: trace = 6.791968287849869 (5.37716e-06% change) linmin: converged after 6 iterations. iteration 103: trace = 6.791968277463236 (1.52925e-07% change) large trace change predicted (2.60221e-06%) linmin: converged after 2 iterations. iteration 104: trace = 6.791968100721677 (2.60221e-06% change) linmin: converged after 6 iterations. iteration 105: trace = 6.791968092878765 (1.15473e-07% change) large trace change predicted (2.0587e-06%) linmin: converged after 3 iterations. iteration 106: trace = 6.791967953051572 (2.05871e-06% change) linmin: converged after 3 iterations. iteration 107: trace = 6.791967948024034 (7.40218e-08% change) large trace change predicted (1.46291e-06%) linmin: converged after 8 iterations. iteration 108: trace = 6.791967848660353 (1.46296e-06% change) linmin: converged after 4 iterations. iteration 109: trace = 6.791967845150555 (5.16757e-08% change) large trace change predicted (1.32858e-06%) linmin: converged after 3 iterations. iteration 110: trace = 6.791967754913359 (1.32859e-06% change) linmin: converged after 21 iterations. iteration 111: trace = 6.791967748472299 (9.48335e-08% change) large trace change predicted (1.1718e-06%) linmin: converged after 5 iterations. iteration 112: trace = 6.791967668877026 (1.1719e-06% change) linmin: converged after 5 iterations. iteration 113: trace = 6.79196766554222 (4.90993e-08% change) large trace change predicted (7.81653e-07%) linmin: converged after 2 iterations. iteration 114: trace = 6.791967612450451 (7.81685e-07% change) linmin: converged after 24 iterations. iteration 115: trace = 6.791967610959208 (2.1956e-08% change) large trace change predicted (2.94444e-07%) linmin: converged after 3 iterations. iteration 116: trace = 6.791967590960216 (2.94451e-07% change) linmin: converged after 8 iterations. iteration 117: trace = 6.791967587005427 (5.82274e-08% change) large trace change predicted (2.45919e-07%) linmin: converged after 30 iterations. iteration 118: trace = 6.791967570302307 (2.45925e-07% change) linmin: converged after 4 iterations. iteration 119: trace = 6.79196756206063 (1.21344e-07% change) linmin: converged after 5 iterations. iteration 120: trace = 6.791967546140414 (2.34398e-07% change) linmin: converged after 18 iterations. iteration 121: trace = 6.791967543171825 (4.37073e-08% change) large trace change predicted (2.56507e-07%) linmin: converged after 16 iterations. iteration 122: trace = 6.791967525749222 (2.56518e-07% change) linmin: converged after 8 iterations. iteration 123: trace = 6.79196752451914 (1.81108e-08% change) large trace change predicted (6.60925e-08%) linmin: converged after 15 iterations. iteration 124: trace = 6.79196752003006 (6.6094e-08% change) linmin: converged after 5 iterations. iteration 125: trace = 6.791967517036195 (4.40795e-08% change) linmin: converged after 19 iterations. iteration 126: trace = 6.791967516053871 (1.4463e-08% change) large trace change predicted (4.7355e-08%) linmin: converged after 7 iterations. iteration 127: trace = 6.79196751283756 (4.73546e-08% change) linmin: converged after 6 iterations. iteration 128: trace = 6.791967512591317 (3.6255e-09% change) large trace change predicted (4.03429e-08%) linmin: converged after 26 iterations. iteration 129: trace = 6.791967509851213 (4.03433e-08% change) linmin: converged after 27 iterations. iteration 130: trace = 6.791967509713659 (2.02524e-09% change) large trace change predicted (5.30423e-08%) linmin: converged after 9 iterations. iteration 131: trace = 6.791967506110998 (5.3043e-08% change) linmin: converged after 4 iterations. iteration 132: trace = 6.791967505801535 (4.5563e-09% change) large trace change predicted (5.32642e-08%) linmin: converged after 7 iterations. iteration 133: trace = 6.791967502183798 (5.32649e-08% change) linmin: converged after 6 iterations. iteration 134: trace = 6.79196750191726 (3.92431e-09% change) large trace change predicted (2.31904e-08%) linmin: converged after 7 iterations. iteration 135: trace = 6.79196750034217 (2.31905e-08% change) linmin: converged after 6 iterations. iteration 136: trace = 6.791967500260601 (1.20097e-09% change) large trace change predicted (1.46637e-08%) linmin: converged after 3 iterations. iteration 137: trace = 6.791967499264651 (1.46636e-08% change) linmin: converged after 5 iterations. iteration 138: trace = 6.791967499226701 (5.58736e-10% change) large trace change predicted (1.25371e-08%) linmin: converged after 4 iterations. iteration 139: trace = 6.791967498375169 (1.25373e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 6.791967498292051 (1.22378e-09% change) large trace change predicted (2.54594e-09%) linmin: converged after 6 iterations. iteration 141: trace = 6.791967498119134 (2.5459e-09% change) linmin: converged after 26 iterations. iteration 142: trace = 6.791967497955175 (2.41401e-09% change) linmin: converged after 27 iterations. iteration 143: trace = 6.791967497875718 (1.16987e-09% change) large trace change predicted (3.67353e-09%) linmin: converged after 7 iterations. iteration 144: trace = 6.791967497626207 (3.67363e-09% change) linmin: converged after 6 iterations. iteration 145: trace = 6.791967497592159 (5.0129e-10% change) large trace change predicted (6.23283e-09%) linmin: converged after 20 iterations. iteration 146: trace = 6.791967497168824 (6.23288e-09% change) linmin: converged after 4 iterations. iteration 147: trace = 6.791967497130071 (5.70571e-10% change) large trace change predicted (4.56836e-09%) linmin: converged after 19 iterations. iteration 148: trace = 6.791967496819786 (4.56841e-09% change) linmin: converged after 6 iterations. iteration 149: trace = 6.791967496790313 (4.33944e-10% change) large trace change predicted (2.16893e-09%) linmin: converged after 22 iterations. iteration 150: trace = 6.791967496643008 (2.1688e-09% change) linmin: converged after 4 iterations. iteration 151: trace = 6.79196749651947 (1.81889e-09% change) linmin: converged after 6 iterations. iteration 152: trace = 6.791967496513665 (8.54575e-11% change) Finished solving for bands 1 to 8 after 152 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 elapsed time for k point: 0.9187872409820557 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.779233704149505 (0.029341% change) large trace change predicted (0.119594%) linmin: converged after 4 iterations. iteration 2: trace = 6.77122872818564 (0.118151% change) linmin: converged after 4 iterations. iteration 3: trace = 6.76788727287084 (0.04936% change) linmin: converged after 4 iterations. iteration 4: trace = 6.76677160790444 (0.016486% change) linmin: converged after 4 iterations. iteration 5: trace = 6.76553524136044 (0.0182728% change) linmin: converged after 4 iterations. iteration 6: trace = 6.765292028812663 (0.00359494% change) large trace change predicted (0.0160508%) linmin: converged after 4 iterations. iteration 7: trace = 6.764215362151291 (0.0159158% change) linmin: converged after 4 iterations. iteration 8: trace = 6.7640744078539 (0.00208385% change) large trace change predicted (0.00881556%) linmin: converged after 3 iterations. iteration 9: trace = 6.763478317595627 (0.00881298% change) linmin: converged after 4 iterations. iteration 10: trace = 6.763112350468273 (0.00541108% change) linmin: converged after 3 iterations. iteration 11: trace = 6.762840550271752 (0.00401894% change) linmin: converged after 3 iterations. iteration 12: trace = 6.762589674807687 (0.00370969% change) linmin: converged after 3 iterations. iteration 13: trace = 6.762500230376306 (0.00132264% change) large trace change predicted (0.00532386%) linmin: converged after 3 iterations. iteration 14: trace = 6.762138330078653 (0.00535172% change) linmin: converged after 3 iterations. iteration 15: trace = 6.762074172755888 (0.000948777% change) large trace change predicted (0.00413001%) linmin: converged after 3 iterations. iteration 16: trace = 6.761792961235461 (0.00415874% change) linmin: converged after 3 iterations. iteration 17: trace = 6.761637719094955 (0.0022959% change) linmin: converged after 3 iterations. iteration 18: trace = 6.761443529734488 (0.00287197% change) linmin: converged after 3 iterations. iteration 19: trace = 6.76135434542317 (0.00131902% change) linmin: converged after 5 iterations. iteration 20: trace = 6.761311766874297 (0.000629736% change) linmin: converged after 3 iterations. iteration 21: trace = 6.761229363792483 (0.00121875% change) linmin: converged after 5 iterations. iteration 22: trace = 6.761215170610098 (0.00020992% change) large trace change predicted (0.00157727%) linmin: converged after 4 iterations. iteration 23: trace = 6.761108563625406 (0.00157676% change) linmin: converged after 5 iterations. iteration 24: trace = 6.761092201397894 (0.000242005% change) large trace change predicted (0.00138267%) linmin: converged after 4 iterations. iteration 25: trace = 6.760998715872192 (0.00138271% change) linmin: converged after 4 iterations. iteration 26: trace = 6.760981371877431 (0.00025653% change) large trace change predicted (0.000658079%) linmin: converged after 3 iterations. iteration 27: trace = 6.760936824920137 (0.000658885% change) linmin: converged after 4 iterations. iteration 28: trace = 6.760923447438236 (0.000197865% change) linmin: converged after 3 iterations. iteration 29: trace = 6.760910147592869 (0.000196717% change) linmin: converged after 3 iterations. iteration 30: trace = 6.760890311372713 (0.000293396% change) linmin: converged after 3 iterations. iteration 31: trace = 6.760887282168232 (4.48048e-05% change) large trace change predicted (0.000191206%) linmin: converged after 3 iterations. iteration 32: trace = 6.760874346615541 (0.000191329% change) linmin: converged after 14 iterations. iteration 33: trace = 6.760867978531046 (9.41903e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 6.760856625784806 (0.000167919% change) linmin: converged after 3 iterations. iteration 35: trace = 6.760852346347988 (6.32973e-05% change) large trace change predicted (0.00015525%) linmin: converged after 10 iterations. iteration 36: trace = 6.760841857753364 (0.000155137% change) linmin: converged after 3 iterations. iteration 37: trace = 6.76083824537612 (5.34309e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 6.760832929740303 (7.86239e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.760829446462945 (5.15214e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 6.760828407253998 (1.5371e-05% change) large trace change predicted (5.882e-05%) linmin: converged after 4 iterations. iteration 41: trace = 6.760824431226565 (5.88098e-05% change) linmin: converged after 4 iterations. iteration 42: trace = 6.760823706351393 (1.07217e-05% change) large trace change predicted (5.521e-05%) linmin: converged after 5 iterations. iteration 43: trace = 6.760819975268813 (5.51868e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.760818933583168 (1.54077e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 6.760817397451483 (2.27211e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 6.760816506038232 (1.3185e-05% change) linmin: converged after 4 iterations. iteration 47: trace = 6.760816128060983 (5.5907e-06% change) large trace change predicted (1.42013e-05%) linmin: converged after 3 iterations. iteration 48: trace = 6.76081516794176 (1.42012e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.760815037114783 (1.93508e-06% change) large trace change predicted (1.2274e-05%) linmin: converged after 3 iterations. iteration 50: trace = 6.760814207181001 (1.22756e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.760814122635201 (1.25053e-06% change) large trace change predicted (7.52087e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.760813614112545 (7.52162e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 6.760813438657451 (2.59518e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.760813112228708 (4.82825e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.760812964855113 (2.17982e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.760812805891664 (2.35125e-06% change) linmin: converged after 2 iterations. iteration 57: trace = 6.760812667531352 (2.0465e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.76081262757927 (5.90936e-07% change) large trace change predicted (1.7818e-06%) linmin: converged after 31 iterations. iteration 59: trace = 6.760812507117609 (1.78176e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.760812489141085 (2.65893e-07% change) large trace change predicted (1.67945e-06%) linmin: converged after 3 iterations. iteration 61: trace = 6.760812375599103 (1.67941e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.760812364017938 (1.71298e-07% change) large trace change predicted (7.34453e-07%) linmin: converged after 3 iterations. iteration 63: trace = 6.760812314362155 (7.34465e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.760812300203789 (2.09418e-07% change) large trace change predicted (4.297e-07%) linmin: converged after 4 iterations. iteration 65: trace = 6.760812271152631 (4.29699e-07% change) linmin: converged after 2 iterations. iteration 66: trace = 6.760812246336019 (3.67066e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.76081223489381 (1.69243e-07% change) large trace change predicted (3.52972e-07%) linmin: converged after 2 iterations. iteration 68: trace = 6.760812211029217 (3.52984e-07% change) linmin: converged after 3 iterations. iteration 69: trace = 6.760812207709524 (4.9102e-08% change) resetting CG direction... linmin: converged after 26 iterations. iteration 70: trace = 6.760812205115937 (3.83621e-08% change) large trace change predicted (1.10414e-07%) linmin: converged after 13 iterations. iteration 71: trace = 6.76081219765096 (1.10415e-07% change) linmin: converged after 5 iterations. iteration 72: trace = 6.760812193099664 (6.73188e-08% change) linmin: converged after 10 iterations. iteration 73: trace = 6.760812189419833 (5.44288e-08% change) linmin: converged after 19 iterations. iteration 74: trace = 6.760812183684703 (8.4829e-08% change) linmin: converged after 19 iterations. iteration 75: trace = 6.760812181798141 (2.79044e-08% change) large trace change predicted (7.9846e-08%) linmin: converged after 3 iterations. iteration 76: trace = 6.760812176399958 (7.98452e-08% change) linmin: converged after 22 iterations. iteration 77: trace = 6.760812174751578 (2.43814e-08% change) large trace change predicted (1.12482e-07%) linmin: converged after 7 iterations. iteration 78: trace = 6.760812167146861 (1.12482e-07% change) linmin: converged after 6 iterations. iteration 79: trace = 6.760812165135612 (2.97486e-08% change) large trace change predicted (6.68494e-08%) linmin: converged after 4 iterations. iteration 80: trace = 6.760812160616077 (6.6849e-08% change) linmin: converged after 7 iterations. iteration 81: trace = 6.760812157149175 (5.12794e-08% change) linmin: converged after 12 iterations. iteration 82: trace = 6.760812155153886 (2.95126e-08% change) linmin: converged after 4 iterations. iteration 83: trace = 6.760812151447763 (5.48177e-08% change) linmin: converged after 4 iterations. iteration 84: trace = 6.760812149596605 (2.73807e-08% change) linmin: converged after 32 iterations. iteration 85: trace = 6.760812149144228 (6.69116e-09% change) large trace change predicted (1.60166e-08%) linmin: converged after 4 iterations. iteration 86: trace = 6.76081214806138 (1.60165e-08% change) linmin: converged after 6 iterations. iteration 87: trace = 6.760812147844664 (3.20547e-09% change) large trace change predicted (1.30127e-08%) linmin: converged after 8 iterations. iteration 88: trace = 6.76081214696491 (1.30125e-08% change) linmin: converged after 7 iterations. iteration 89: trace = 6.760812146818285 (2.16875e-09% change) large trace change predicted (1.02578e-08%) linmin: converged after 4 iterations. iteration 90: trace = 6.760812146124769 (1.02579e-08% change) linmin: converged after 14 iterations. iteration 91: trace = 6.760812145778652 (5.11946e-09% change) linmin: converged after 6 iterations. iteration 92: trace = 6.760812145286503 (7.27943e-09% change) linmin: converged after 18 iterations. iteration 93: trace = 6.760812144857756 (6.34166e-09% change) linmin: converged after 5 iterations. iteration 94: trace = 6.760812144781973 (1.12091e-09% change) large trace change predicted (3.99531e-09%) linmin: converged after 4 iterations. iteration 95: trace = 6.76081214451185 (3.99542e-09% change) linmin: converged after 20 iterations. iteration 96: trace = 6.760812144391321 (1.78276e-09% change) linmin: converged after 15 iterations. iteration 97: trace = 6.760812144325781 (9.69404e-10% change) large trace change predicted (2.03564e-09%) linmin: converged after 21 iterations. iteration 98: trace = 6.760812144188145 (2.03579e-09% change) linmin: converged after 9 iterations. iteration 99: trace = 6.760812144171469 (2.46663e-10% change) large trace change predicted (1.70611e-09%) linmin: converged after 6 iterations. iteration 100: trace = 6.76081214405612 (1.70615e-09% change) linmin: converged after 3 iterations. iteration 101: trace = 6.760812144045055 (1.6365e-10% change) large trace change predicted (1.05652e-09%) linmin: converged after 24 iterations. iteration 102: trace = 6.76081214397362 (1.05661e-09% change) linmin: converged after 15 iterations. iteration 103: trace = 6.760812143935601 (5.62349e-10% change) linmin: converged after 4 iterations. iteration 104: trace = 6.760812143927473 (1.20218e-10% change) large trace change predicted (6.25294e-10%) linmin: converged after 7 iterations. iteration 105: trace = 6.760812143885199 (6.25276e-10% change) linmin: converged after 4 iterations. iteration 106: trace = 6.760812143880038 (7.634e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 elapsed time for k point: 0.6427619457244873 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.812819628661698 (0.0683397% change) linmin: converged after 3 iterations. iteration 2: trace = 6.809521839523517 (0.0484174% change) linmin: converged after 4 iterations. iteration 3: trace = 6.806878732572187 (0.0388224% change) linmin: converged after 3 iterations. iteration 4: trace = 6.806531561470045 (0.00510043% change) linmin: converged after 4 iterations. iteration 5: trace = 6.805858812206997 (0.00988437% change) linmin: converged after 3 iterations. iteration 6: trace = 6.805278685201517 (0.0085243% change) linmin: converged after 4 iterations. iteration 7: trace = 6.805018736097988 (0.00381989% change) large trace change predicted (0.00764423%) linmin: converged after 4 iterations. iteration 8: trace = 6.804499759913973 (0.00762666% change) linmin: converged after 4 iterations. iteration 9: trace = 6.804166052150458 (0.00490434% change) linmin: converged after 3 iterations. iteration 10: trace = 6.803799208029116 (0.00539161% change) linmin: converged after 3 iterations. iteration 11: trace = 6.803510143991208 (0.00424866% change) linmin: converged after 4 iterations. iteration 12: trace = 6.803404288453464 (0.00155591% change) large trace change predicted (0.00417121%) linmin: converged after 3 iterations. iteration 13: trace = 6.803119569090784 (0.00418504% change) linmin: converged after 3 iterations. iteration 14: trace = 6.802867680929271 (0.00370261% change) linmin: converged after 3 iterations. iteration 15: trace = 6.802805669214712 (0.000911557% change) large trace change predicted (0.00372648%) linmin: converged after 3 iterations. iteration 16: trace = 6.802551006257156 (0.00374357% change) linmin: converged after 3 iterations. iteration 17: trace = 6.802508919730908 (0.000618689% change) large trace change predicted (0.00153183%) linmin: converged after 3 iterations. iteration 18: trace = 6.802404656420902 (0.00153273% change) linmin: converged after 3 iterations. iteration 19: trace = 6.802277520532822 (0.001869% change) linmin: converged after 5 iterations. iteration 20: trace = 6.802247414155069 (0.000442594% change) large trace change predicted (0.001287%) linmin: converged after 3 iterations. iteration 21: trace = 6.802159763861424 (0.00128856% change) linmin: converged after 3 iterations. iteration 22: trace = 6.80209711638325 (0.000920998% change) linmin: converged after 3 iterations. iteration 23: trace = 6.802077237360788 (0.000292249% change) large trace change predicted (0.000723376%) linmin: converged after 4 iterations. iteration 24: trace = 6.802028031576383 (0.000723396% change) linmin: converged after 6 iterations. iteration 25: trace = 6.802006288669485 (0.000319654% change) linmin: converged after 3 iterations. iteration 26: trace = 6.801991481607076 (0.000217687% change) linmin: converged after 5 iterations. iteration 27: trace = 6.801969367927593 (0.000325106% change) linmin: converged after 3 iterations. iteration 28: trace = 6.801957903045565 (0.000168553% change) linmin: converged after 3 iterations. iteration 29: trace = 6.801951813831908 (8.95215e-05% change) large trace change predicted (0.000209749%) linmin: converged after 3 iterations. iteration 30: trace = 6.801937548635867 (0.000209722% change) linmin: converged after 5 iterations. iteration 31: trace = 6.801934525942378 (4.44387e-05% change) large trace change predicted (0.000222054%) linmin: converged after 5 iterations. iteration 32: trace = 6.801919425329486 (0.000222005% change) linmin: converged after 4 iterations. iteration 33: trace = 6.801915441680219 (5.85666e-05% change) large trace change predicted (0.0001179%) linmin: converged after 4 iterations. iteration 34: trace = 6.801907423888882 (0.000117876% change) linmin: converged after 3 iterations. iteration 35: trace = 6.801902761556573 (6.85445e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 6.801901494015955 (1.86351e-05% change) large trace change predicted (5.41487e-05%) linmin: converged after 5 iterations. iteration 37: trace = 6.801897811034239 (5.41464e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.801895866748854 (2.85845e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.801893985482835 (2.7658e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.80189147262107 (3.69436e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.801890700845299 (1.13465e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.801889235431657 (2.15442e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 6.801888224442996 (1.48634e-05% change) linmin: converged after 20 iterations. iteration 44: trace = 6.801887980840492 (3.5814e-06% change) large trace change predicted (7.42495e-06%) linmin: converged after 3 iterations. iteration 45: trace = 6.801887475818182 (7.42474e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.801887185178447 (4.27293e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 6.801886748234615 (6.42386e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.801885976399346 (1.13474e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.801885695022007 (4.13675e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 6.801885358625245 (4.94564e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.801885217423139 (2.07593e-06% change) linmin: converged after 17 iterations. iteration 52: trace = 6.801885140510589 (1.13075e-06% change) linmin: converged after 23 iterations. iteration 53: trace = 6.8018850178674 (1.80308e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.801884972661144 (6.64614e-07% change) large trace change predicted (1.67237e-06%) linmin: converged after 2 iterations. iteration 55: trace = 6.801884858907663 (1.67238e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 6.801884766735803 (1.35509e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 6.801884743365361 (3.43588e-07% change) large trace change predicted (7.51348e-07%) linmin: converged after 2 iterations. iteration 58: trace = 6.801884692259104 (7.51354e-07% change) linmin: converged after 7 iterations. iteration 59: trace = 6.801884672406457 (2.9187e-07% change) linmin: converged after 6 iterations. iteration 60: trace = 6.801884645652149 (3.93337e-07% change) linmin: converged after 3 iterations. iteration 61: trace = 6.801884622534045 (3.39878e-07% change) linmin: converged after 15 iterations. iteration 62: trace = 6.801884613615423 (1.3112e-07% change) large trace change predicted (2.88122e-07%) linmin: converged after 3 iterations. iteration 63: trace = 6.801884594016905 (2.88134e-07% change) linmin: converged after 8 iterations. iteration 64: trace = 6.801884584516095 (1.39679e-07% change) linmin: converged after 3 iterations. iteration 65: trace = 6.801884576469059 (1.18306e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.80188456659482 (1.45169e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.801884562881307 (5.45954e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.801884555493325 (1.08617e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.801884549058733 (9.46001e-08% change) resetting CG direction... linmin: converged after 15 iterations. iteration 70: trace = 6.801884547554034 (2.21218e-08% change) linmin: converged after 4 iterations. iteration 71: trace = 6.801884545383357 (3.19129e-08% change) linmin: converged after 8 iterations. iteration 72: trace = 6.801884544195199 (1.74681e-08% change) linmin: converged after 6 iterations. iteration 73: trace = 6.80188454315787 (1.52506e-08% change) linmin: converged after 5 iterations. iteration 74: trace = 6.801884541809432 (1.98245e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.801884541427446 (5.61588e-09% change) large trace change predicted (1.89351e-08%) linmin: converged after 4 iterations. iteration 76: trace = 6.801884540139519 (1.89349e-08% change) linmin: converged after 5 iterations. iteration 77: trace = 6.801884539692212 (6.57622e-09% change) linmin: converged after 7 iterations. iteration 78: trace = 6.801884539101566 (8.68356e-09% change) linmin: converged after 9 iterations. iteration 79: trace = 6.801884538450174 (9.57664e-09% change) linmin: converged after 3 iterations. iteration 80: trace = 6.801884538253588 (2.89018e-09% change) large trace change predicted (1.02646e-08%) linmin: converged after 4 iterations. iteration 81: trace = 6.8018845375554 (1.02646e-08% change) linmin: converged after 22 iterations. iteration 82: trace = 6.801884537150822 (5.94804e-09% change) linmin: converged after 5 iterations. iteration 83: trace = 6.801884536946329 (3.00641e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 6.801884536587771 (5.27146e-09% change) linmin: converged after 23 iterations. iteration 85: trace = 6.801884536358836 (3.36576e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.801884536234699 (1.82504e-09% change) linmin: converged after 14 iterations. iteration 87: trace = 6.801884536094423 (2.0623e-09% change) linmin: converged after 21 iterations. iteration 88: trace = 6.80188453605223 (6.20325e-10% change) large trace change predicted (1.76175e-09%) linmin: converged after 16 iterations. iteration 89: trace = 6.801884535932403 (1.76167e-09% change) linmin: converged after 3 iterations. iteration 90: trace = 6.801884535896058 (5.34339e-10% change) large trace change predicted (1.18821e-09%) linmin: converged after 6 iterations. iteration 91: trace = 6.801884535815229 (1.18833e-09% change) linmin: converged after 4 iterations. iteration 92: trace = 6.801884535775458 (5.84703e-10% change) linmin: converged after 16 iterations. iteration 93: trace = 6.80188453576309 (1.8183e-10% change) large trace change predicted (4.52487e-10%) linmin: converged after 3 iterations. iteration 94: trace = 6.801884535732312 (4.52493e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 6.801884535718283 (2.06248e-10% change) linmin: converged after 2 iterations. iteration 96: trace = 6.80188453570752 (1.58235e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 6.80188453569156 (2.34649e-10% change) linmin: converged after 10 iterations. iteration 98: trace = 6.801884535683443 (1.19335e-10% change) linmin: converged after 7 iterations. iteration 99: trace = 6.801884535667818 (2.29713e-10% change) linmin: converged after 12 iterations. iteration 100: trace = 6.801884535652636 (2.23197e-10% change) linmin: converged after 5 iterations. iteration 101: trace = 6.801884535649821 (4.13933e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 elapsed time for k point: 0.6125421524047852 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925882038649622 (0.0869782% change) linmin: converged after 3 iterations. iteration 2: trace = 6.922922600920973 (0.0427393% change) linmin: converged after 4 iterations. iteration 3: trace = 6.920648510496537 (0.0328541% change) linmin: converged after 3 iterations. iteration 4: trace = 6.919688753726099 (0.013869% change) linmin: converged after 4 iterations. iteration 5: trace = 6.919278633938682 (0.00592703% change) large trace change predicted (0.014567%) linmin: converged after 4 iterations. iteration 6: trace = 6.918274802967817 (0.0145088% change) linmin: converged after 4 iterations. iteration 7: trace = 6.917573100309901 (0.0101433% change) linmin: converged after 3 iterations. iteration 8: trace = 6.91717052878642 (0.00581972% change) linmin: converged after 4 iterations. iteration 9: trace = 6.916380857969879 (0.0114167% change) linmin: converged after 3 iterations. iteration 10: trace = 6.915938511134318 (0.00639584% change) linmin: converged after 4 iterations. iteration 11: trace = 6.915627903828851 (0.00449128% change) linmin: converged after 3 iterations. iteration 12: trace = 6.915057595408163 (0.008247% change) linmin: converged after 3 iterations. iteration 13: trace = 6.914570533658709 (0.00704374% change) linmin: converged after 4 iterations. iteration 14: trace = 6.914423410976549 (0.00212774% change) large trace change predicted (0.00433686%) linmin: converged after 3 iterations. iteration 15: trace = 6.914122172538979 (0.00435676% change) linmin: converged after 3 iterations. iteration 16: trace = 6.913960745971044 (0.00233476% change) linmin: converged after 3 iterations. iteration 17: trace = 6.913682738645422 (0.00402104% change) linmin: converged after 3 iterations. iteration 18: trace = 6.91356962437949 (0.00163611% change) linmin: converged after 3 iterations. iteration 19: trace = 6.913343496481604 (0.00327084% change) linmin: converged after 3 iterations. iteration 20: trace = 6.913262827542797 (0.00116687% change) linmin: converged after 5 iterations. iteration 21: trace = 6.913199855061523 (0.000910898% change) linmin: converged after 5 iterations. iteration 22: trace = 6.913142013102168 (0.000836692% change) linmin: converged after 5 iterations. iteration 23: trace = 6.913115926418768 (0.00037735% change) linmin: converged after 3 iterations. iteration 24: trace = 6.91309050341241 (0.000367751% change) linmin: converged after 5 iterations. iteration 25: trace = 6.913046686141634 (0.000633832% change) linmin: converged after 4 iterations. iteration 26: trace = 6.913020078791096 (0.000384887% change) linmin: converged after 4 iterations. iteration 27: trace = 6.913001671860747 (0.000266265% change) linmin: converged after 4 iterations. iteration 28: trace = 6.912976103550035 (0.000369859% change) linmin: converged after 3 iterations. iteration 29: trace = 6.912965350980596 (0.000155542% change) linmin: converged after 3 iterations. iteration 30: trace = 6.912958048248399 (0.000105638% change) linmin: converged after 3 iterations. iteration 31: trace = 6.912946398606992 (0.000168519% change) linmin: converged after 3 iterations. iteration 32: trace = 6.912938892000731 (0.000108588% change) linmin: converged after 4 iterations. iteration 33: trace = 6.912933382900912 (7.96926e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.912927765762557 (8.12555e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 6.912925419569552 (3.39392e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.912923360114467 (2.97914e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.912920250075139 (4.49888e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.912919169456714 (1.56319e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.912917519066674 (2.3874e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.912916315539269 (1.74098e-05% change) linmin: converged after 17 iterations. iteration 41: trace = 6.912915794332187 (7.53961e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 6.912915207571654 (8.48789e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 6.912914545833006 (9.5725e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 6.912914247706847 (4.3126e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912913753212571 (7.1532e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.912913163886589 (8.525e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.912912853153032 (4.49497e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.912912671740704 (2.62425e-06% change) linmin: converged after 11 iterations. iteration 49: trace = 6.912912518892522 (2.21105e-06% change) linmin: converged after 8 iterations. iteration 50: trace = 6.912912394741083 (1.79594e-06% change) linmin: converged after 3 iterations. iteration 51: trace = 6.912912299273549 (1.381e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.912912139298289 (2.31415e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.912912089732205 (7.17007e-07% change) linmin: converged after 6 iterations. iteration 54: trace = 6.912911998991057 (1.31263e-06% change) linmin: converged after 13 iterations. iteration 55: trace = 6.912911935450525 (9.19157e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 6.912911890746691 (6.46672e-07% change) linmin: converged after 7 iterations. iteration 57: trace = 6.912911840091572 (7.32761e-07% change) linmin: converged after 23 iterations. iteration 58: trace = 6.912911788980286 (7.3936e-07% change) linmin: converged after 13 iterations. iteration 59: trace = 6.912911777301217 (1.68946e-07% change) large trace change predicted (3.75959e-07%) linmin: converged after 4 iterations. iteration 60: trace = 6.912911751311498 (3.75959e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 6.912911731156905 (2.9155e-07% change) linmin: converged after 3 iterations. iteration 62: trace = 6.912911716265699 (2.15411e-07% change) large trace change predicted (4.65098e-07%) linmin: converged after 5 iterations. iteration 63: trace = 6.912911684115905 (4.65069e-07% change) linmin: converged after 25 iterations. iteration 64: trace = 6.912911662399061 (3.14149e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.912911652296632 (1.46139e-07% change) linmin: converged after 8 iterations. iteration 66: trace = 6.912911642987268 (1.34666e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 6.912911630407877 (1.8197e-07% change) linmin: converged after 4 iterations. iteration 68: trace = 6.912911622204324 (1.1867e-07% change) large trace change predicted (3.31162e-07%) linmin: converged after 6 iterations. iteration 69: trace = 6.912911599310582 (3.31174e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 6.91291158715795 (1.75796e-07% change) linmin: converged after 9 iterations. iteration 71: trace = 6.912911579317613 (1.13416e-07% change) linmin: converged after 21 iterations. iteration 72: trace = 6.912911566843272 (1.8045e-07% change) linmin: converged after 8 iterations. iteration 73: trace = 6.912911546531986 (2.93817e-07% change) linmin: converged after 4 iterations. iteration 74: trace = 6.912911524245919 (3.22383e-07% change) large trace change predicted (3.42786e-06%) linmin: converged after 4 iterations. iteration 75: trace = 6.912911287072744 (3.43087e-06% change) near maximum in trace linmin: converged after 11 iterations. iteration 76: trace = 6.909888069531068 (0.0437425% change) linmin: converged after 9 iterations. iteration 77: trace = 6.909887784314146 (4.12766e-06% change) linmin: converged after 7 iterations. iteration 78: trace = 6.909887500338854 (4.10969e-06% change) linmin: converged after 14 iterations. iteration 79: trace = 6.909887217639132 (4.09123e-06% change) linmin: converged after 7 iterations. iteration 80: trace = 6.909886936250768 (4.07226e-06% change) linmin: converged after 8 iterations. iteration 81: trace = 6.909886656139765 (4.05377e-06% change) linmin: converged after 17 iterations. iteration 82: trace = 6.909886377358567 (4.03453e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.909886099873157 (4.01577e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.909885823729661 (3.99635e-06% change) linmin: converged after 8 iterations. iteration 85: trace = 6.909885548913243 (3.97715e-06% change) linmin: converged after 7 iterations. iteration 86: trace = 6.909885275421666 (3.95798e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.909885003270273 (3.93858e-06% change) linmin: converged after 7 iterations. iteration 88: trace = 6.909884732454676 (3.91925e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.909884462957761 (3.90017e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 6.909884194815677 (3.88056e-06% change) linmin: converged after 9 iterations. iteration 91: trace = 6.909883928009607 (3.86122e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 6.909883662522455 (3.84214e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 6.909883398382966 (3.82263e-06% change) linmin: converged after 5 iterations. iteration 94: trace = 6.909883135572693 (3.8034e-06% change) linmin: converged after 11 iterations. iteration 95: trace = 6.909882874088034 (3.78421e-06% change) linmin: converged after 9 iterations. iteration 96: trace = 6.909882613924315 (3.7651e-06% change) linmin: converged after 14 iterations. iteration 97: trace = 6.909882355073152 (3.7461e-06% change) linmin: converged after 12 iterations. iteration 98: trace = 6.909882097524109 (3.72726e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 6.909881841295443 (3.70815e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 6.909881586353091 (3.68953e-06% change) linmin: converged after 6 iterations. iteration 101: trace = 6.909881332717889 (3.67062e-06% change) linmin: converged after 14 iterations. iteration 102: trace = 6.9098810803694 (3.65199e-06% change) linmin: converged after 6 iterations. iteration 103: trace = 6.909880829294897 (3.63356e-06% change) linmin: converged after 4 iterations. iteration 104: trace = 6.909880579485906 (3.61524e-06% change) linmin: converged after 6 iterations. iteration 105: trace = 6.909880330953644 (3.59677e-06% change) linmin: converged after 5 iterations. iteration 106: trace = 6.909880083666328 (3.57875e-06% change) linmin: converged after 5 iterations. iteration 107: trace = 6.909879837638996 (3.56052e-06% change) linmin: converged after 5 iterations. iteration 108: trace = 6.909879592851689 (3.54257e-06% change) linmin: converged after 9 iterations. iteration 109: trace = 6.909879349295867 (3.52475e-06% change) linmin: converged after 7 iterations. iteration 110: trace = 6.909879106952831 (3.5072e-06% change) linmin: converged after 5 iterations. iteration 111: trace = 6.909878865833756 (3.48948e-06% change) linmin: converged after 12 iterations. iteration 112: trace = 6.909878625919669 (3.47204e-06% change) linmin: converged after 6 iterations. iteration 113: trace = 6.909878387191959 (3.45488e-06% change) linmin: converged after 4 iterations. iteration 114: trace = 6.909878149651229 (3.4377e-06% change) linmin: converged after 8 iterations. iteration 115: trace = 6.909877913297339 (3.42052e-06% change) linmin: converged after 6 iterations. iteration 116: trace = 6.90987767810282 (3.40374e-06% change) linmin: converged after 5 iterations. iteration 117: trace = 6.909877444075966 (3.38685e-06% change) linmin: converged after 8 iterations. iteration 118: trace = 6.909877211198532 (3.37021e-06% change) linmin: converged after 6 iterations. iteration 119: trace = 6.909876979452967 (3.35383e-06% change) linmin: converged after 5 iterations. iteration 120: trace = 6.909876748846052 (3.33735e-06% change) linmin: converged after 6 iterations. iteration 121: trace = 6.90987651936019 (3.32113e-06% change) linmin: converged after 5 iterations. iteration 122: trace = 6.909876290978394 (3.30515e-06% change) linmin: converged after 14 iterations. iteration 123: trace = 6.909876063706172 (3.28909e-06% change) linmin: converged after 6 iterations. iteration 124: trace = 6.909875837526572 (3.27328e-06% change) linmin: converged after 4 iterations. iteration 125: trace = 6.909875612423232 (3.2577e-06% change) linmin: converged after 14 iterations. iteration 126: trace = 6.909875388400514 (3.24207e-06% change) linmin: converged after 14 iterations. iteration 127: trace = 6.909875165442156 (3.22666e-06% change) linmin: converged after 7 iterations. iteration 128: trace = 6.909874943538734 (3.2114e-06% change) linmin: converged after 5 iterations. iteration 129: trace = 6.90987472268094 (3.19626e-06% change) linmin: converged after 6 iterations. iteration 130: trace = 6.909874502859484 (3.18127e-06% change) linmin: converged after 6 iterations. iteration 131: trace = 6.909874284059315 (3.16649e-06% change) linmin: converged after 8 iterations. iteration 132: trace = 6.90987406627721 (3.15175e-06% change) linmin: converged after 7 iterations. iteration 133: trace = 6.909873849504065 (3.13715e-06% change) linmin: converged after 7 iterations. iteration 134: trace = 6.909873633736144 (3.1226e-06% change) linmin: converged after 6 iterations. iteration 135: trace = 6.909873418958933 (3.10827e-06% change) linmin: converged after 6 iterations. iteration 136: trace = 6.909873205158356 (3.09413e-06% change) linmin: converged after 6 iterations. iteration 137: trace = 6.909872992335758 (3.07998e-06% change) linmin: converged after 6 iterations. iteration 138: trace = 6.909872780477195 (3.06603e-06% change) linmin: converged after 8 iterations. iteration 139: trace = 6.909872569573944 (3.0522e-06% change) resetting CG direction... large trace change predicted (0.146065%) linmin: converged after 6 iterations. iteration 140: trace = 6.900112807874646 (0.141344% change) linmin: converged after 4 iterations. iteration 141: trace = 6.886754650031223 (0.193781% change) linmin: converged after 4 iterations. iteration 142: trace = 6.877135062572776 (0.13978% change) linmin: converged after 3 iterations. iteration 143: trace = 6.870506267082638 (0.0964354% change) linmin: converged after 4 iterations. iteration 144: trace = 6.860551169816624 (0.145001% change) linmin: converged after 4 iterations. iteration 145: trace = 6.850685274511307 (0.14391% change) linmin: converged after 4 iterations. iteration 146: trace = 6.843740497784712 (0.101425% change) large trace change predicted (0.309023%) linmin: converged after 5 iterations. iteration 147: trace = 6.823623760537448 (0.294376% change) linmin: converged after 4 iterations. iteration 148: trace = 6.812400398950951 (0.164613% change) linmin: converged after 4 iterations. iteration 149: trace = 6.804952571758172 (0.109387% change) linmin: converged after 4 iterations. iteration 150: trace = 6.792622572528646 (0.181356% change) linmin: converged after 3 iterations. iteration 151: trace = 6.786226468461249 (0.0942069% change) linmin: converged after 4 iterations. iteration 152: trace = 6.774034327979193 (0.179822% change) linmin: converged after 4 iterations. iteration 153: trace = 6.763597790162811 (0.154186% change) linmin: converged after 4 iterations. iteration 154: trace = 6.751468321352629 (0.179496% change) linmin: converged after 4 iterations. iteration 155: trace = 6.744733604502644 (0.0998017% change) linmin: converged after 4 iterations. iteration 156: trace = 6.736517955733518 (0.121883% change) linmin: converged after 4 iterations. iteration 157: trace = 6.730507893032328 (0.089256% change) linmin: converged after 4 iterations. iteration 158: trace = 6.725610070146183 (0.072797% change) linmin: converged after 3 iterations. iteration 159: trace = 6.720070429549343 (0.0824003% change) linmin: converged after 4 iterations. iteration 160: trace = 6.716398936957599 (0.0546497% change) linmin: converged after 4 iterations. iteration 161: trace = 6.711723245098755 (0.0696403% change) linmin: converged after 3 iterations. iteration 162: trace = 6.708465862307571 (0.0485445% change) linmin: converged after 3 iterations. iteration 163: trace = 6.705377631218511 (0.0460454% change) linmin: converged after 3 iterations. iteration 164: trace = 6.7019681115547 (0.0508605% change) linmin: converged after 14 iterations. iteration 165: trace = 6.699720408550249 (0.0335436% change) linmin: converged after 3 iterations. iteration 166: trace = 6.697586295582607 (0.0318588% change) linmin: converged after 3 iterations. iteration 167: trace = 6.695563917062481 (0.0302002% change) linmin: converged after 3 iterations. iteration 168: trace = 6.69318995521045 (0.035462% change) linmin: converged after 4 iterations. iteration 169: trace = 6.691847708888887 (0.0200559% change) linmin: converged after 3 iterations. iteration 170: trace = 6.689836878793695 (0.0300535% change) linmin: converged after 3 iterations. iteration 171: trace = 6.68897407054505 (0.0128981% change) linmin: converged after 3 iterations. iteration 172: trace = 6.687710436118384 (0.0188931% change) linmin: converged after 3 iterations. iteration 173: trace = 6.687077366461639 (0.00946661% change) linmin: converged after 3 iterations. iteration 174: trace = 6.686055406055767 (0.0152838% change) linmin: converged after 3 iterations. iteration 175: trace = 6.685450523046256 (0.00904734% change) linmin: converged after 3 iterations. iteration 176: trace = 6.684549996350713 (0.0134709% change) linmin: converged after 3 iterations. iteration 177: trace = 6.684090730238815 (0.0068708% change) linmin: converged after 3 iterations. iteration 178: trace = 6.683536768548096 (0.00828811% change) linmin: converged after 3 iterations. iteration 179: trace = 6.683209332057007 (0.00489927% change) linmin: converged after 3 iterations. iteration 180: trace = 6.682804628345735 (0.00605571% change) linmin: converged after 3 iterations. iteration 181: trace = 6.682500737701841 (0.00454746% change) linmin: converged after 6 iterations. iteration 182: trace = 6.682187984963646 (0.00468028% change) linmin: converged after 3 iterations. iteration 183: trace = 6.681941626589951 (0.00368686% change) linmin: converged after 3 iterations. iteration 184: trace = 6.681749517040164 (0.0028751% change) linmin: converged after 3 iterations. iteration 185: trace = 6.681583318928936 (0.00248738% change) linmin: converged after 5 iterations. iteration 186: trace = 6.681435949572898 (0.00220563% change) linmin: converged after 3 iterations. iteration 187: trace = 6.681306362279191 (0.00193953% change) linmin: converged after 5 iterations. iteration 188: trace = 6.68118616255739 (0.00179906% change) linmin: converged after 3 iterations. iteration 189: trace = 6.681029168186527 (0.00234983% change) linmin: converged after 4 iterations. iteration 190: trace = 6.68091788698604 (0.00166564% change) linmin: converged after 4 iterations. iteration 191: trace = 6.680793007016501 (0.00186922% change) linmin: converged after 3 iterations. iteration 192: trace = 6.680698925300111 (0.00140825% change) linmin: converged after 3 iterations. iteration 193: trace = 6.680603490590562 (0.00142852% change) linmin: converged after 3 iterations. iteration 194: trace = 6.680555992876951 (0.000710982% change) linmin: converged after 3 iterations. iteration 195: trace = 6.680497530806602 (0.000875112% change) linmin: converged after 4 iterations. iteration 196: trace = 6.680465917269473 (0.000473222% change) linmin: converged after 5 iterations. iteration 197: trace = 6.680419024356515 (0.000701943% change) linmin: converged after 3 iterations. iteration 198: trace = 6.680388053627762 (0.000463606% change) linmin: converged after 3 iterations. iteration 199: trace = 6.680345252324641 (0.000640703% change) linmin: converged after 4 iterations. iteration 200: trace = 6.680315656044407 (0.000443036% change) linmin: converged after 13 iterations. iteration 201: trace = 6.680273977133462 (0.000623908% change) linmin: converged after 3 iterations. iteration 202: trace = 6.680252940741233 (0.000314904% change) linmin: converged after 4 iterations. iteration 203: trace = 6.680221024379043 (0.000477773% change) linmin: converged after 3 iterations. iteration 204: trace = 6.680206060237897 (0.000224007% change) linmin: converged after 3 iterations. iteration 205: trace = 6.680188908244978 (0.000256759% change) linmin: converged after 3 iterations. iteration 206: trace = 6.680180723571723 (0.000122522% change) linmin: converged after 3 iterations. iteration 207: trace = 6.680167171789034 (0.000202866% change) linmin: converged after 3 iterations. iteration 208: trace = 6.680160724540633 (9.65133e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 6.680149211613839 (0.000172345% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 6.680141306405188 (0.000118339% change) linmin: converged after 4 iterations. iteration 211: trace = 6.680129707104666 (0.000173639% change) linmin: converged after 4 iterations. iteration 212: trace = 6.680117724787703 (0.000179373% change) linmin: converged after 3 iterations. iteration 213: trace = 6.680112548768048 (7.7484e-05% change) linmin: converged after 4 iterations. iteration 214: trace = 6.680102826504739 (0.000145541% change) linmin: converged after 10 iterations. iteration 215: trace = 6.680094664191323 (0.000122189% change) linmin: converged after 3 iterations. iteration 216: trace = 6.680091552906312 (4.65755e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 6.680087526994608 (6.02673e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 6.680084055736089 (5.19643e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 6.680083094998932 (1.43821e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 6.680081318393286 (2.65956e-05% change) linmin: converged after 2 iterations. iteration 221: trace = 6.680079323617409 (2.98616e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 6.680077671618371 (2.47302e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 6.680075761057959 (2.86009e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 6.680073835787651 (2.88211e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 6.680073222712853 (9.17767e-06% change) linmin: converged after 3 iterations. iteration 226: trace = 6.680072529492016 (1.03774e-05% change) linmin: converged after 4 iterations. iteration 227: trace = 6.680071660450433 (1.30095e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 6.680071348592291 (4.66849e-06% change) linmin: converged after 3 iterations. iteration 229: trace = 6.680070763749358 (8.75504e-06% change) linmin: converged after 2 iterations. iteration 230: trace = 6.680070265447124 (7.45954e-06% change) linmin: converged after 4 iterations. iteration 231: trace = 6.680069810866106 (6.80503e-06% change) linmin: converged after 3 iterations. iteration 232: trace = 6.680069647127132 (2.45116e-06% change) large trace change predicted (5.89221e-06%) linmin: converged after 2 iterations. iteration 233: trace = 6.680069253517108 (5.8923e-06% change) linmin: converged after 4 iterations. iteration 234: trace = 6.680068947926481 (4.57466e-06% change) linmin: converged after 2 iterations. iteration 235: trace = 6.680068802272046 (2.18043e-06% change) linmin: converged after 13 iterations. iteration 236: trace = 6.680068641203307 (2.41118e-06% change) linmin: converged after 5 iterations. iteration 237: trace = 6.680068538496874 (1.53751e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 6.680068501532514 (5.53353e-07% change) linmin: converged after 3 iterations. iteration 239: trace = 6.680068438512994 (9.43396e-07% change) linmin: converged after 5 iterations. iteration 240: trace = 6.680068379295211 (8.86485e-07% change) linmin: converged after 11 iterations. iteration 241: trace = 6.680068348463998 (4.6154e-07% change) linmin: converged after 4 iterations. iteration 242: trace = 6.68006830935616 (5.85441e-07% change) linmin: converged after 4 iterations. iteration 243: trace = 6.680068281396476 (4.18554e-07% change) linmin: converged after 5 iterations. iteration 244: trace = 6.680068269147787 (1.83362e-07% change) linmin: converged after 5 iterations. iteration 245: trace = 6.6800682516701 (2.61639e-07% change) linmin: converged after 6 iterations. iteration 246: trace = 6.680068231541936 (3.01317e-07% change) linmin: converged after 4 iterations. iteration 247: trace = 6.68006822014569 (1.70601e-07% change) linmin: converged after 4 iterations. iteration 248: trace = 6.680068214812728 (7.9834e-08% change) linmin: converged after 4 iterations. iteration 249: trace = 6.680068207046533 (1.16259e-07% change) linmin: converged after 7 iterations. iteration 250: trace = 6.68006819870077 (1.24935e-07% change) linmin: converged after 4 iterations. iteration 251: trace = 6.680068195620726 (4.6108e-08% change) linmin: converged after 4 iterations. iteration 252: trace = 6.680068190690411 (7.38064e-08% change) linmin: converged after 6 iterations. iteration 253: trace = 6.680068188124061 (3.8418e-08% change) linmin: converged after 31 iterations. iteration 254: trace = 6.680068186230165 (2.83514e-08% change) linmin: converged after 4 iterations. iteration 255: trace = 6.680068183548971 (4.01372e-08% change) linmin: converged after 6 iterations. iteration 256: trace = 6.680068181084417 (3.68941e-08% change) linmin: converged after 9 iterations. iteration 257: trace = 6.680068180529753 (8.30327e-09% change) linmin: converged after 4 iterations. iteration 258: trace = 6.680068179648179 (1.31971e-08% change) linmin: converged after 10 iterations. iteration 259: trace = 6.680068178936502 (1.06538e-08% change) linmin: converged after 7 iterations. iteration 260: trace = 6.680068178568506 (5.50886e-09% change) linmin: converged after 7 iterations. iteration 261: trace = 6.680068178358582 (3.14255e-09% change) linmin: converged after 5 iterations. iteration 262: trace = 6.680068178086279 (4.07635e-09% change) linmin: converged after 4 iterations. iteration 263: trace = 6.680068177950682 (2.02987e-09% change) linmin: converged after 4 iterations. iteration 264: trace = 6.680068177805048 (2.18012e-09% change) linmin: converged after 4 iterations. iteration 265: trace = 6.680068177579251 (3.38016e-09% change) linmin: converged after 21 iterations. iteration 266: trace = 6.680068177456648 (1.83536e-09% change) linmin: converged after 22 iterations. iteration 267: trace = 6.680068177411629 (6.73932e-10% change) large trace change predicted (1.36988e-09%) linmin: converged after 4 iterations. iteration 268: trace = 6.680068177320161 (1.36927e-09% change) linmin: converged after 3 iterations. iteration 269: trace = 6.680068177254681 (9.80231e-10% change) linmin: converged after 11 iterations. iteration 270: trace = 6.680068177226591 (4.20498e-10% change) linmin: converged after 13 iterations. iteration 271: trace = 6.68006817717807 (7.26358e-10% change) linmin: converged after 4 iterations. iteration 272: trace = 6.680068177149542 (4.27053e-10% change) linmin: converged after 15 iterations. iteration 273: trace = 6.680068177134154 (2.30366e-10% change) linmin: converged after 7 iterations. iteration 274: trace = 6.680068177119505 (2.1929e-10% change) linmin: converged after 16 iterations. iteration 275: trace = 6.68006817709515 (3.64588e-10% change) linmin: converged after 4 iterations. iteration 276: trace = 6.680068177089201 (8.90696e-11% change) Finished solving for bands 1 to 8 after 276 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 elapsed time for k point: 1.6642169952392578 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.654587647107056 (0.0686622% change) linmin: converged after 4 iterations. iteration 2: trace = 6.650159867781105 (0.0665594% change) linmin: converged after 4 iterations. iteration 3: trace = 6.648179278398916 (0.029787% change) linmin: converged after 11 iterations. iteration 4: trace = 6.64753428827374 (0.00970223% change) linmin: converged after 4 iterations. iteration 5: trace = 6.646966711507838 (0.00853852% change) linmin: converged after 3 iterations. iteration 6: trace = 6.645994103904903 (0.0146334% change) linmin: converged after 7 iterations. iteration 7: trace = 6.645304795434273 (0.0103723% change) linmin: converged after 5 iterations. iteration 8: trace = 6.644933112305865 (0.00559333% change) linmin: converged after 4 iterations. iteration 9: trace = 6.644423384405195 (0.00767122% change) linmin: converged after 3 iterations. iteration 10: trace = 6.644201201600824 (0.00334395% change) linmin: converged after 3 iterations. iteration 11: trace = 6.643990357561754 (0.0031734% change) linmin: converged after 4 iterations. iteration 12: trace = 6.643843598182427 (0.00220893% change) linmin: converged after 3 iterations. iteration 13: trace = 6.643564792914024 (0.00419653% change) linmin: converged after 4 iterations. iteration 14: trace = 6.643279683137933 (0.00429161% change) linmin: converged after 3 iterations. iteration 15: trace = 6.643071635833856 (0.00313174% change) linmin: converged after 13 iterations. iteration 16: trace = 6.642974802986185 (0.00145766% change) linmin: converged after 4 iterations. iteration 17: trace = 6.642909152389527 (0.000988276% change) linmin: converged after 3 iterations. iteration 18: trace = 6.642890198485007 (0.000285326% change) linmin: converged after 5 iterations. iteration 19: trace = 6.642868869752618 (0.000321077% change) linmin: converged after 3 iterations. iteration 20: trace = 6.642841265095529 (0.000415554% change) linmin: converged after 7 iterations. iteration 21: trace = 6.642822909072448 (0.000276328% change) linmin: converged after 3 iterations. iteration 22: trace = 6.642805067487298 (0.000268585% change) linmin: converged after 3 iterations. iteration 23: trace = 6.642791440630938 (0.000205137% change) linmin: converged after 4 iterations. iteration 24: trace = 6.642785629385782 (8.7482e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 6.642782972183236 (4.00013e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.642780011656292 (4.45676e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.642778218592625 (2.69927e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 6.642777034519781 (1.7825e-05% change) large trace change predicted (3.72542e-05%) linmin: converged after 5 iterations. iteration 29: trace = 6.642774560797502 (3.72393e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.642773636337617 (1.39168e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.642772723116847 (1.37476e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.642771828275745 (1.34709e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.6427708758641 (1.43376e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.642770554213544 (4.84211e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 6.642770128476467 (6.40903e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 6.642769885792485 (3.65336e-06% change) linmin: converged after 14 iterations. iteration 37: trace = 6.64276977675445 (1.64145e-06% change) linmin: converged after 4 iterations. iteration 38: trace = 6.642769636190063 (2.11605e-06% change) linmin: converged after 2 iterations. iteration 39: trace = 6.64276952993943 (1.59949e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 6.642769482550485 (7.13391e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 6.642769417347201 (9.81568e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 6.642769380718978 (5.514e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 6.642769352341737 (4.2719e-07% change) linmin: converged after 15 iterations. iteration 44: trace = 6.642769335010302 (2.60907e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 6.642769308420513 (4.00282e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.642769295753125 (1.90694e-07% change) linmin: converged after 7 iterations. iteration 47: trace = 6.642769286124278 (1.44952e-07% change) linmin: converged after 2 iterations. iteration 48: trace = 6.642769278116051 (1.20556e-07% change) linmin: converged after 15 iterations. iteration 49: trace = 6.642769268635163 (1.42725e-07% change) linmin: converged after 3 iterations. iteration 50: trace = 6.642769264679356 (5.95506e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 6.642769258364048 (9.50704e-08% change) linmin: converged after 2 iterations. iteration 52: trace = 6.642769255028356 (5.02154e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 6.642769253596793 (2.15507e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 6.642769251332918 (3.40803e-08% change) linmin: converged after 3 iterations. iteration 55: trace = 6.64276925007824 (1.88879e-08% change) linmin: converged after 3 iterations. iteration 56: trace = 6.642769249336583 (1.11649e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.642769248110906 (1.84513e-08% change) linmin: converged after 10 iterations. iteration 58: trace = 6.642769246939288 (1.76375e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.642769246530508 (6.15375e-09% change) linmin: converged after 3 iterations. iteration 60: trace = 6.642769246056794 (7.13128e-09% change) linmin: converged after 4 iterations. iteration 61: trace = 6.642769245799189 (3.87797e-09% change) linmin: converged after 12 iterations. iteration 62: trace = 6.642769245597216 (3.0405e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.64276924536166 (3.54604e-09% change) linmin: converged after 4 iterations. iteration 64: trace = 6.642769245063349 (4.49077e-09% change) linmin: converged after 21 iterations. iteration 65: trace = 6.642769244986269 (1.16035e-09% change) linmin: converged after 4 iterations. iteration 66: trace = 6.642769244866158 (1.80815e-09% change) linmin: converged after 12 iterations. iteration 67: trace = 6.642769244789783 (1.14974e-09% change) linmin: converged after 5 iterations. iteration 68: trace = 6.64276924474427 (6.85163e-10% change) linmin: converged after 5 iterations. iteration 69: trace = 6.642769244696984 (7.11838e-10% change) resetting CG direction... linmin: converged after 11 iterations. iteration 70: trace = 6.642769244672526 (3.68186e-10% change) linmin: converged after 17 iterations. iteration 71: trace = 6.642769244656923 (2.34895e-10% change) linmin: converged after 12 iterations. iteration 72: trace = 6.642769244637179 (2.97215e-10% change) linmin: converged after 7 iterations. iteration 73: trace = 6.642769244619195 (2.70741e-10% change) linmin: converged after 6 iterations. iteration 74: trace = 6.642769244609402 (1.47411e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.642769244598618 (1.62346e-10% change) linmin: converged after 4 iterations. iteration 76: trace = 6.642769244581568 (2.56675e-10% change) linmin: converged after 6 iterations. iteration 77: trace = 6.642769244576151 (8.15473e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 elapsed time for k point: 0.46819305419921875 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.68742931650452 (0.117811% change) linmin: converged after 3 iterations. iteration 2: trace = 6.68264724993627 (0.0715339% change) linmin: converged after 4 iterations. iteration 3: trace = 6.679627785477054 (0.0451939% change) linmin: converged after 4 iterations. iteration 4: trace = 6.674424620075824 (0.0779264% change) linmin: converged after 4 iterations. iteration 5: trace = 6.670593745708849 (0.0574128% change) linmin: converged after 3 iterations. iteration 6: trace = 6.669532231866325 (0.0159146% change) linmin: converged after 4 iterations. iteration 7: trace = 6.668698851707744 (0.0124961% change) linmin: converged after 4 iterations. iteration 8: trace = 6.667450144262116 (0.0187267% change) linmin: converged after 4 iterations. iteration 9: trace = 6.666854082081396 (0.00894028% change) linmin: converged after 3 iterations. iteration 10: trace = 6.666560972014663 (0.00439662% change) large trace change predicted (0.0103219%) linmin: converged after 4 iterations. iteration 11: trace = 6.665873835374994 (0.0103077% change) linmin: converged after 3 iterations. iteration 12: trace = 6.665343845652399 (0.00795111% change) linmin: converged after 4 iterations. iteration 13: trace = 6.6649606862781 (0.0057487% change) linmin: converged after 4 iterations. iteration 14: trace = 6.664471825373208 (0.00733506% change) linmin: converged after 3 iterations. iteration 15: trace = 6.664343389402832 (0.00192719% change) linmin: converged after 3 iterations. iteration 16: trace = 6.664235362018363 (0.00162099% change) linmin: converged after 3 iterations. iteration 17: trace = 6.664099940391363 (0.00203209% change) linmin: converged after 3 iterations. iteration 18: trace = 6.663928196790676 (0.00257718% change) linmin: converged after 3 iterations. iteration 19: trace = 6.663861617064658 (0.000999111% change) linmin: converged after 4 iterations. iteration 20: trace = 6.663812745431779 (0.000733386% change) linmin: converged after 3 iterations. iteration 21: trace = 6.663735496481276 (0.00115924% change) linmin: converged after 3 iterations. iteration 22: trace = 6.663674584800469 (0.000914081% change) linmin: converged after 3 iterations. iteration 23: trace = 6.663634505870812 (0.000601456% change) linmin: converged after 9 iterations. iteration 24: trace = 6.663593036444581 (0.000622326% change) linmin: converged after 3 iterations. iteration 25: trace = 6.663573590797871 (0.00029182% change) linmin: converged after 3 iterations. iteration 26: trace = 6.663564019963311 (0.000143629% change) linmin: converged after 5 iterations. iteration 27: trace = 6.663549047822354 (0.000224687% change) linmin: converged after 3 iterations. iteration 28: trace = 6.663543235432437 (8.72267e-05% change) linmin: converged after 3 iterations. iteration 29: trace = 6.663539630863594 (5.40939e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.663536020892542 (5.4175e-05% change) large trace change predicted (0.000126921%) linmin: converged after 3 iterations. iteration 31: trace = 6.663527561138237 (0.000126956% change) linmin: converged after 3 iterations. iteration 32: trace = 6.663522804103543 (7.13892e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.663519840010221 (4.44824e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.663516773109635 (4.60252e-05% change) linmin: converged after 10 iterations. iteration 35: trace = 6.663513854797477 (4.37954e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.66351282127115 (1.55102e-05% change) large trace change predicted (3.45247e-05%) linmin: converged after 4 iterations. iteration 37: trace = 6.663510520492019 (3.4528e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.663509473855813 (1.5707e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 6.66350905948412 (6.21852e-06% change) large trace change predicted (1.52973e-05%) linmin: converged after 4 iterations. iteration 40: trace = 6.663508040074779 (1.52984e-05% change) linmin: converged after 13 iterations. iteration 41: trace = 6.66350736878073 (1.00742e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.663506898774938 (7.05343e-06% change) linmin: converged after 3 iterations. iteration 43: trace = 6.663506558850175 (5.10129e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 6.663506414509431 (2.16614e-06% change) linmin: converged after 28 iterations. iteration 45: trace = 6.663506331481697 (1.24601e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.663506215056473 (1.74721e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.663506039962352 (2.62766e-06% change) linmin: converged after 18 iterations. iteration 48: trace = 6.663505983919635 (8.41039e-07% change) linmin: converged after 11 iterations. iteration 49: trace = 6.663505907580257 (1.14563e-06% change) linmin: converged after 13 iterations. iteration 50: trace = 6.663505851053846 (8.48298e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 6.663505805273885 (6.87025e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 6.663505790517945 (2.21444e-07% change) linmin: converged after 3 iterations. iteration 53: trace = 6.663505766537905 (3.59871e-07% change) linmin: converged after 5 iterations. iteration 54: trace = 6.663505741527417 (3.75335e-07% change) linmin: converged after 23 iterations. iteration 55: trace = 6.663505723766454 (2.66541e-07% change) linmin: converged after 30 iterations. iteration 56: trace = 6.663505707395612 (2.45679e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.663505697307992 (1.51386e-07% change) linmin: converged after 9 iterations. iteration 58: trace = 6.663505694719878 (3.88401e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.663505691931844 (4.18403e-08% change) linmin: converged after 5 iterations. iteration 60: trace = 6.663505688935059 (4.49731e-08% change) linmin: converged after 6 iterations. iteration 61: trace = 6.663505686196303 (4.11008e-08% change) linmin: converged after 4 iterations. iteration 62: trace = 6.663505684949426 (1.8712e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 6.663505683329686 (2.43076e-08% change) linmin: converged after 12 iterations. iteration 64: trace = 6.663505682013065 (1.97587e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 6.663505681318125 (1.0429e-08% change) linmin: converged after 4 iterations. iteration 66: trace = 6.66350568000373 (1.97253e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.66350567919139 (1.21909e-08% change) linmin: converged after 6 iterations. iteration 68: trace = 6.663505678759838 (6.47635e-09% change) linmin: converged after 4 iterations. iteration 69: trace = 6.663505678470865 (4.33666e-09% change) resetting CG direction... linmin: converged after 8 iterations. iteration 70: trace = 6.663505678324041 (2.2034e-09% change) linmin: converged after 4 iterations. iteration 71: trace = 6.663505678226369 (1.46578e-09% change) linmin: converged after 6 iterations. iteration 72: trace = 6.663505678094277 (1.98233e-09% change) linmin: converged after 10 iterations. iteration 73: trace = 6.663505677965077 (1.93892e-09% change) linmin: converged after 18 iterations. iteration 74: trace = 6.66350567790878 (8.44845e-10% change) linmin: converged after 5 iterations. iteration 75: trace = 6.663505677805992 (1.54256e-09% change) linmin: converged after 17 iterations. iteration 76: trace = 6.663505677741501 (9.67818e-10% change) linmin: converged after 4 iterations. iteration 77: trace = 6.663505677712489 (4.35392e-10% change) linmin: converged after 6 iterations. iteration 78: trace = 6.663505677678069 (5.16539e-10% change) linmin: converged after 4 iterations. iteration 79: trace = 6.663505677642904 (5.27722e-10% change) linmin: converged after 3 iterations. iteration 80: trace = 6.663505677622344 (3.08553e-10% change) linmin: converged after 4 iterations. iteration 81: trace = 6.66350567759534 (4.05255e-10% change) linmin: converged after 7 iterations. iteration 82: trace = 6.663505677568731 (3.99323e-10% change) linmin: converged after 8 iterations. iteration 83: trace = 6.663505677547433 (3.19616e-10% change) linmin: converged after 6 iterations. iteration 84: trace = 6.66350567753745 (1.49818e-10% change) linmin: converged after 17 iterations. iteration 85: trace = 6.663505677527924 (1.42953e-10% change) linmin: converged after 3 iterations. iteration 86: trace = 6.663505677520225 (1.15549e-10% change) linmin: converged after 4 iterations. iteration 87: trace = 6.663505677515312 (7.37227e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 elapsed time for k point: 0.528815746307373 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.744447576192536 (0.144039% change) linmin: converged after 4 iterations. iteration 2: trace = 6.737974342923063 (0.0960248% change) linmin: converged after 4 iterations. iteration 3: trace = 6.732141779138002 (0.0866001% change) linmin: converged after 10 iterations. iteration 4: trace = 6.724828824799297 (0.108686% change) linmin: converged after 4 iterations. iteration 5: trace = 6.721434301434448 (0.0504902% change) linmin: converged after 3 iterations. iteration 6: trace = 6.718962207953828 (0.036786% change) linmin: converged after 4 iterations. iteration 7: trace = 6.717543137081957 (0.0211226% change) linmin: converged after 4 iterations. iteration 8: trace = 6.716463667344186 (0.0160707% change) linmin: converged after 3 iterations. iteration 9: trace = 6.715767538644822 (0.010365% change) linmin: converged after 4 iterations. iteration 10: trace = 6.714605745657165 (0.017301% change) linmin: converged after 4 iterations. iteration 11: trace = 6.713521880138656 (0.0161432% change) linmin: converged after 3 iterations. iteration 12: trace = 6.712581824447608 (0.0140034% change) linmin: converged after 3 iterations. iteration 13: trace = 6.711589810654388 (0.0147795% change) linmin: converged after 3 iterations. iteration 14: trace = 6.710907667568817 (0.0101642% change) linmin: converged after 10 iterations. iteration 15: trace = 6.710743951444661 (0.00243958% change) linmin: converged after 3 iterations. iteration 16: trace = 6.710422647844937 (0.00478801% change) linmin: converged after 3 iterations. iteration 17: trace = 6.710149737642435 (0.00406704% change) linmin: converged after 3 iterations. iteration 18: trace = 6.709926502205309 (0.00332689% change) linmin: converged after 3 iterations. iteration 19: trace = 6.709615223170183 (0.00463919% change) linmin: converged after 3 iterations. iteration 20: trace = 6.709383091625185 (0.00345974% change) linmin: converged after 5 iterations. iteration 21: trace = 6.709272391414308 (0.00164994% change) linmin: converged after 3 iterations. iteration 22: trace = 6.709164433466661 (0.0016091% change) linmin: converged after 5 iterations. iteration 23: trace = 6.70908228328382 (0.00122445% change) linmin: converged after 3 iterations. iteration 24: trace = 6.709040655657285 (0.000620469% change) linmin: converged after 5 iterations. iteration 25: trace = 6.709012986378738 (0.000412419% change) linmin: converged after 5 iterations. iteration 26: trace = 6.708973601698106 (0.000587043% change) linmin: converged after 4 iterations. iteration 27: trace = 6.708949152657861 (0.000364424% change) linmin: converged after 3 iterations. iteration 28: trace = 6.70893965639722 (0.000141546% change) linmin: converged after 3 iterations. iteration 29: trace = 6.708921851719259 (0.000265388% change) linmin: converged after 3 iterations. iteration 30: trace = 6.708911469458197 (0.000154753% change) linmin: converged after 4 iterations. iteration 31: trace = 6.70890382172838 (0.000113994% change) linmin: converged after 3 iterations. iteration 32: trace = 6.708893718526304 (0.000150594% change) linmin: converged after 3 iterations. iteration 33: trace = 6.708883945393598 (0.000145674% change) linmin: converged after 3 iterations. iteration 34: trace = 6.708879440618364 (6.71464e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.70887148922375 (0.000118521% change) linmin: converged after 4 iterations. iteration 36: trace = 6.708866031276438 (8.13542e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.708863197039666 (4.22461e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.708860829014249 (3.5297e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 6.708858447965409 (3.54911e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.70885699851949 (2.1605e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.708854902078135 (3.12489e-05% change) linmin: converged after 5 iterations. iteration 42: trace = 6.708852610157979 (3.41626e-05% change) linmin: converged after 7 iterations. iteration 43: trace = 6.708851929415184 (1.01469e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.708851237626785 (1.03116e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.70885027561984 (1.43394e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.708849646388729 (9.37912e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.708848882347832 (1.13886e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.708848312891008 (8.48815e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.708847879057657 (6.46658e-06% change) linmin: converged after 4 iterations. iteration 50: trace = 6.708847658500213 (3.28756e-06% change) large trace change predicted (7.00998e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.708847188193878 (7.01024e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.708846832260756 (5.30543e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.708846619290997 (3.17446e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.708846387823803 (3.45018e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 6.708846177703117 (3.13199e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 6.708846099890919 (1.15984e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.708845988799521 (1.65589e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 6.708845926155869 (9.33747e-07% change) linmin: converged after 4 iterations. iteration 59: trace = 6.708845871850761 (8.09455e-07% change) linmin: converged after 3 iterations. iteration 60: trace = 6.708845822809999 (7.30987e-07% change) linmin: converged after 13 iterations. iteration 61: trace = 6.708845760356785 (9.30908e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 6.708845743003738 (2.58659e-07% change) linmin: converged after 6 iterations. iteration 63: trace = 6.708845724909576 (2.69706e-07% change) linmin: converged after 7 iterations. iteration 64: trace = 6.708845702105168 (3.39916e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 6.708845680327379 (3.24613e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 6.708845664241937 (2.39765e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.708845650777155 (2.00702e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.70884564540356 (8.00972e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 6.708845642040083 (5.0135e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.708845640023133 (3.0064e-08% change) linmin: converged after 6 iterations. iteration 71: trace = 6.708845637674435 (3.5009e-08% change) linmin: converged after 7 iterations. iteration 72: trace = 6.708845634535178 (4.67928e-08% change) linmin: converged after 4 iterations. iteration 73: trace = 6.708845632986879 (2.30785e-08% change) linmin: converged after 5 iterations. iteration 74: trace = 6.708845630875833 (3.14666e-08% change) linmin: converged after 5 iterations. iteration 75: trace = 6.708845629670519 (1.7966e-08% change) linmin: converged after 6 iterations. iteration 76: trace = 6.708845628753616 (1.36671e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.70884562822794 (7.83556e-09% change) large trace change predicted (2.48466e-08%) linmin: converged after 23 iterations. iteration 78: trace = 6.708845626561008 (2.48468e-08% change) linmin: converged after 9 iterations. iteration 79: trace = 6.708845625403148 (1.72587e-08% change) linmin: converged after 4 iterations. iteration 80: trace = 6.70884562479595 (9.05071e-09% change) linmin: converged after 3 iterations. iteration 81: trace = 6.708845624335575 (6.86222e-09% change) linmin: converged after 5 iterations. iteration 82: trace = 6.708845623794146 (8.07036e-09% change) linmin: converged after 6 iterations. iteration 83: trace = 6.708845623391334 (6.00419e-09% change) linmin: converged after 18 iterations. iteration 84: trace = 6.708845623153671 (3.54254e-09% change) linmin: converged after 4 iterations. iteration 85: trace = 6.708845622824374 (4.90841e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.708845622521746 (4.51087e-09% change) linmin: converged after 5 iterations. iteration 87: trace = 6.708845622386532 (2.01547e-09% change) linmin: converged after 3 iterations. iteration 88: trace = 6.708845622195872 (2.84192e-09% change) linmin: converged after 13 iterations. iteration 89: trace = 6.70884562208354 (1.67439e-09% change) linmin: converged after 18 iterations. iteration 90: trace = 6.708845622026524 (8.49859e-10% change) linmin: converged after 4 iterations. iteration 91: trace = 6.70884562197662 (7.43855e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 6.708845621907461 (1.03086e-09% change) linmin: converged after 4 iterations. iteration 93: trace = 6.708845621861144 (6.90383e-10% change) linmin: converged after 2 iterations. iteration 94: trace = 6.708845621839582 (3.21401e-10% change) linmin: converged after 7 iterations. iteration 95: trace = 6.708845621811404 (4.20005e-10% change) linmin: converged after 20 iterations. iteration 96: trace = 6.708845621769485 (6.24837e-10% change) linmin: converged after 2 iterations. iteration 97: trace = 6.708845621745693 (3.54631e-10% change) linmin: converged after 9 iterations. iteration 98: trace = 6.708845621735803 (1.47429e-10% change) linmin: converged after 3 iterations. iteration 99: trace = 6.708845621726293 (1.41749e-10% change) linmin: converged after 6 iterations. iteration 100: trace = 6.708845621714833 (1.70822e-10% change) linmin: converged after 16 iterations. iteration 101: trace = 6.708845621703096 (1.74939e-10% change) linmin: converged after 2 iterations. iteration 102: trace = 6.708845621696623 (9.64852e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 elapsed time for k point: 0.6187667846679688 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.789698402540012 (0.215823% change) linmin: converged after 4 iterations. iteration 2: trace = 6.777922809184626 (0.173584% change) linmin: converged after 4 iterations. iteration 3: trace = 6.769206232693758 (0.128685% change) linmin: converged after 4 iterations. iteration 4: trace = 6.76325344397442 (0.0879779% change) linmin: converged after 4 iterations. iteration 5: trace = 6.760899822538645 (0.0348062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.758681340451685 (0.0328188% change) linmin: converged after 3 iterations. iteration 7: trace = 6.757086578769755 (0.0235985% change) linmin: converged after 4 iterations. iteration 8: trace = 6.75583213723433 (0.0185666% change) linmin: converged after 3 iterations. iteration 9: trace = 6.754118420493429 (0.0253697% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751749024984656 (0.0350869% change) linmin: converged after 3 iterations. iteration 11: trace = 6.749302777868128 (0.0362379% change) linmin: converged after 3 iterations. iteration 12: trace = 6.748516468829814 (0.0116509% change) linmin: converged after 4 iterations. iteration 13: trace = 6.747249192728425 (0.0187804% change) linmin: converged after 3 iterations. iteration 14: trace = 6.746632657937885 (0.00913799% change) linmin: converged after 4 iterations. iteration 15: trace = 6.745834648382977 (0.011829% change) linmin: converged after 3 iterations. iteration 16: trace = 6.745082859682247 (0.0111451% change) linmin: converged after 3 iterations. iteration 17: trace = 6.743977423369205 (0.0163901% change) linmin: converged after 3 iterations. iteration 18: trace = 6.743390498642494 (0.00870332% change) linmin: converged after 4 iterations. iteration 19: trace = 6.743072725681261 (0.00471247% change) linmin: converged after 3 iterations. iteration 20: trace = 6.74271595156103 (0.00529111% change) linmin: converged after 4 iterations. iteration 21: trace = 6.742464067615607 (0.00373571% change) linmin: converged after 3 iterations. iteration 22: trace = 6.742330442516543 (0.00198186% change) linmin: converged after 3 iterations. iteration 23: trace = 6.742122757347128 (0.00308036% change) linmin: converged after 3 iterations. iteration 24: trace = 6.742003824595118 (0.00176404% change) linmin: converged after 3 iterations. iteration 25: trace = 6.741881004987275 (0.00182172% change) linmin: converged after 3 iterations. iteration 26: trace = 6.741788398443999 (0.00137361% change) linmin: converged after 3 iterations. iteration 27: trace = 6.741624598216273 (0.00242966% change) linmin: converged after 3 iterations. iteration 28: trace = 6.741503235165387 (0.00180022% change) linmin: converged after 3 iterations. iteration 29: trace = 6.741388464304385 (0.00170247% change) linmin: converged after 4 iterations. iteration 30: trace = 6.741262264289297 (0.00187204% change) linmin: converged after 5 iterations. iteration 31: trace = 6.741141889768689 (0.00178565% change) linmin: converged after 3 iterations. iteration 32: trace = 6.741091944003339 (0.000740912% change) large trace change predicted (0.00157116%) linmin: converged after 3 iterations. iteration 33: trace = 6.740986066559797 (0.00157064% change) linmin: converged after 3 iterations. iteration 34: trace = 6.740890541670522 (0.00141709% change) linmin: converged after 3 iterations. iteration 35: trace = 6.7408213747181 (0.00102609% change) linmin: converged after 3 iterations. iteration 36: trace = 6.740737624556463 (0.00124244% change) linmin: converged after 3 iterations. iteration 37: trace = 6.740661829510442 (0.00112444% change) linmin: converged after 3 iterations. iteration 38: trace = 6.740629883340712 (0.000473933% change) linmin: converged after 3 iterations. iteration 39: trace = 6.740602082550813 (0.000412437% change) linmin: converged after 3 iterations. iteration 40: trace = 6.740570553168162 (0.000467754% change) linmin: converged after 7 iterations. iteration 41: trace = 6.74053612837471 (0.000510712% change) linmin: converged after 4 iterations. iteration 42: trace = 6.740511929686533 (0.000359003% change) linmin: converged after 5 iterations. iteration 43: trace = 6.740477773353071 (0.000506733% change) linmin: converged after 3 iterations. iteration 44: trace = 6.740464321378628 (0.00019957% change) linmin: converged after 4 iterations. iteration 45: trace = 6.740454926780418 (0.000139376% change) linmin: converged after 3 iterations. iteration 46: trace = 6.74044291111251 (0.000178262% change) linmin: converged after 3 iterations. iteration 47: trace = 6.74043321663761 (0.000143826% change) linmin: converged after 3 iterations. iteration 48: trace = 6.740427223431901 (8.89143e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.740422385872732 (7.17694e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 6.740416728690716 (8.39292e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 6.740414143557759 (3.83527e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 6.740411995084093 (3.18745e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.740409269342337 (4.04388e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 6.740406804496367 (3.65682e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.740405527571734 (1.89443e-05% change) linmin: converged after 4 iterations. iteration 56: trace = 6.740404266827904 (1.87043e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.740403728311245 (7.98938e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 6.740403437939013 (4.30794e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 6.740402943742991 (7.33185e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.740402141544934 (1.19013e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 6.740401774224003 (5.44954e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.740401383616216 (5.79502e-06% change) linmin: converged after 4 iterations. iteration 63: trace = 6.740401213266169 (2.5273e-06% change) linmin: converged after 3 iterations. iteration 64: trace = 6.740401083251827 (1.92888e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.740400960788135 (1.81686e-06% change) linmin: converged after 5 iterations. iteration 66: trace = 6.740400775678938 (2.74626e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 6.740400708064454 (1.00312e-06% change) linmin: converged after 2 iterations. iteration 68: trace = 6.7404006600371 (7.1253e-07% change) linmin: converged after 3 iterations. iteration 69: trace = 6.740400622536338 (5.56358e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.740400603098549 (2.88377e-07% change) linmin: converged after 5 iterations. iteration 71: trace = 6.740400587214242 (2.35658e-07% change) linmin: converged after 3 iterations. iteration 72: trace = 6.740400563938179 (3.45322e-07% change) linmin: converged after 7 iterations. iteration 73: trace = 6.740400533808574 (4.47e-07% change) linmin: converged after 15 iterations. iteration 74: trace = 6.740400521523085 (1.82266e-07% change) linmin: converged after 15 iterations. iteration 75: trace = 6.740400502324264 (2.84832e-07% change) linmin: converged after 7 iterations. iteration 76: trace = 6.740400485755293 (2.45816e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 6.740400468326008 (2.58579e-07% change) linmin: converged after 2 iterations. iteration 78: trace = 6.740400451024832 (2.56679e-07% change) linmin: converged after 25 iterations. iteration 79: trace = 6.740400430657317 (3.02171e-07% change) linmin: converged after 4 iterations. iteration 80: trace = 6.74040041960462 (1.63977e-07% change) linmin: converged after 3 iterations. iteration 81: trace = 6.740400411507297 (1.20131e-07% change) linmin: converged after 4 iterations. iteration 82: trace = 6.740400400768515 (1.5932e-07% change) linmin: converged after 5 iterations. iteration 83: trace = 6.740400386871048 (2.06182e-07% change) linmin: converged after 3 iterations. iteration 84: trace = 6.740400376262158 (1.57393e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 6.740400359182829 (2.53387e-07% change) linmin: converged after 10 iterations. iteration 86: trace = 6.740400345748313 (1.99313e-07% change) linmin: converged after 10 iterations. iteration 87: trace = 6.740400338468786 (1.07998e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 6.740400333643256 (7.15911e-08% change) linmin: converged after 8 iterations. iteration 89: trace = 6.740400326301053 (1.08928e-07% change) linmin: converged after 2 iterations. iteration 90: trace = 6.74040031633631 (1.47836e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.740400308681972 (1.13559e-07% change) linmin: converged after 10 iterations. iteration 92: trace = 6.74040030005929 (1.27925e-07% change) linmin: converged after 5 iterations. iteration 93: trace = 6.740400294142137 (8.77864e-08% change) linmin: converged after 8 iterations. iteration 94: trace = 6.740400290939562 (4.75131e-08% change) linmin: converged after 6 iterations. iteration 95: trace = 6.740400289529115 (2.09253e-08% change) large trace change predicted (5.32799e-08%) linmin: converged after 3 iterations. iteration 96: trace = 6.740400285937808 (5.32803e-08% change) linmin: converged after 7 iterations. iteration 97: trace = 6.740400283463555 (3.67078e-08% change) linmin: converged after 4 iterations. iteration 98: trace = 6.740400281359919 (3.12094e-08% change) linmin: converged after 18 iterations. iteration 99: trace = 6.740400280453484 (1.34478e-08% change) linmin: converged after 7 iterations. iteration 100: trace = 6.740400279643643 (1.20147e-08% change) linmin: converged after 4 iterations. iteration 101: trace = 6.740400278718579 (1.37242e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.740400277875298 (1.25108e-08% change) linmin: converged after 9 iterations. iteration 103: trace = 6.740400277061934 (1.2067e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.740400276406529 (9.72354e-09% change) linmin: converged after 7 iterations. iteration 105: trace = 6.74040027574557 (9.80594e-09% change) linmin: converged after 4 iterations. iteration 106: trace = 6.74040027537741 (5.46199e-09% change) linmin: converged after 18 iterations. iteration 107: trace = 6.740400275190824 (2.76817e-09% change) linmin: converged after 17 iterations. iteration 108: trace = 6.740400275002443 (2.7948e-09% change) linmin: converged after 5 iterations. iteration 109: trace = 6.740400274841483 (2.38799e-09% change) linmin: converged after 4 iterations. iteration 110: trace = 6.740400274671768 (2.51788e-09% change) linmin: converged after 2 iterations. iteration 111: trace = 6.740400274625507 (6.86321e-10% change) linmin: converged after 4 iterations. iteration 112: trace = 6.740400274539467 (1.27649e-09% change) linmin: converged after 4 iterations. iteration 113: trace = 6.740400274488167 (7.61087e-10% change) linmin: converged after 21 iterations. iteration 114: trace = 6.740400274429472 (8.70785e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 6.740400274391492 (5.63472e-10% change) linmin: converged after 5 iterations. iteration 116: trace = 6.740400274344982 (6.9001e-10% change) linmin: converged after 4 iterations. iteration 117: trace = 6.740400274310222 (5.15706e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 6.74040027429874 (1.70338e-10% change) large trace change predicted (3.6214e-10%) linmin: converged after 10 iterations. iteration 119: trace = 6.740400274274326 (3.62208e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 6.740400274257132 (2.55092e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 6.740400274245594 (1.71168e-10% change) linmin: converged after 9 iterations. iteration 122: trace = 6.740400274235709 (1.46659e-10% change) linmin: converged after 7 iterations. iteration 123: trace = 6.740400274229645 (8.9959e-11% change) Finished solving for bands 1 to 8 after 123 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 elapsed time for k point: 0.7455129623413086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.787868941618761 (0.213565% change) linmin: converged after 3 iterations. iteration 2: trace = 6.776022098480381 (0.174682% change) linmin: converged after 3 iterations. iteration 3: trace = 6.76992906661587 (0.0899609% change) linmin: converged after 4 iterations. iteration 4: trace = 6.767085857494177 (0.0420064% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765298901818625 (0.0264101% change) linmin: converged after 3 iterations. iteration 6: trace = 6.763340700372273 (0.028949% change) linmin: converged after 4 iterations. iteration 7: trace = 6.760043700357894 (0.04876% change) linmin: converged after 4 iterations. iteration 8: trace = 6.757627087966904 (0.0357549% change) linmin: converged after 4 iterations. iteration 9: trace = 6.754119981759141 (0.051912% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751635252414195 (0.0367951% change) linmin: converged after 4 iterations. iteration 11: trace = 6.749275853760886 (0.0349517% change) linmin: converged after 4 iterations. iteration 12: trace = 6.748513930768448 (0.0112896% change) large trace change predicted (0.0342017%) linmin: converged after 3 iterations. iteration 13: trace = 6.74618277875398 (0.0345492% change) linmin: converged after 3 iterations. iteration 14: trace = 6.744300917410761 (0.0278991% change) linmin: converged after 3 iterations. iteration 15: trace = 6.742003501068925 (0.0340704% change) linmin: converged after 3 iterations. iteration 16: trace = 6.740281226318531 (0.0255487% change) linmin: converged after 3 iterations. iteration 17: trace = 6.739215712577741 (0.0158094% change) linmin: converged after 4 iterations. iteration 18: trace = 6.738862119498992 (0.00524694% change) linmin: converged after 3 iterations. iteration 19: trace = 6.738332341719693 (0.00786184% change) linmin: converged after 3 iterations. iteration 20: trace = 6.73762597786491 (0.0104833% change) linmin: converged after 3 iterations. iteration 21: trace = 6.737211476994393 (0.00615222% change) linmin: converged after 3 iterations. iteration 22: trace = 6.736596718922851 (0.00912523% change) linmin: converged after 3 iterations. iteration 23: trace = 6.736116020675262 (0.00713588% change) linmin: converged after 4 iterations. iteration 24: trace = 6.735569722372651 (0.00811032% change) linmin: converged after 3 iterations. iteration 25: trace = 6.735310736074355 (0.00384513% change) linmin: converged after 3 iterations. iteration 26: trace = 6.734879752491319 (0.00639907% change) linmin: converged after 4 iterations. iteration 27: trace = 6.734393252444057 (0.00722385% change) linmin: converged after 3 iterations. iteration 28: trace = 6.733901766968647 (0.00729841% change) linmin: converged after 3 iterations. iteration 29: trace = 6.733209908076175 (0.0102748% change) linmin: converged after 6 iterations. iteration 30: trace = 6.732349668676493 (0.0127769% change) linmin: converged after 4 iterations. iteration 31: trace = 6.731921925214846 (0.00635376% change) linmin: converged after 3 iterations. iteration 32: trace = 6.73146116644943 (0.00684462% change) linmin: converged after 3 iterations. iteration 33: trace = 6.731024321106626 (0.00648982% change) linmin: converged after 3 iterations. iteration 34: trace = 6.730758298578559 (0.00395226% change) linmin: converged after 3 iterations. iteration 35: trace = 6.730487930056411 (0.00401699% change) linmin: converged after 3 iterations. iteration 36: trace = 6.730155608346905 (0.00493768% change) linmin: converged after 3 iterations. iteration 37: trace = 6.729721105743319 (0.00645626% change) linmin: converged after 5 iterations. iteration 38: trace = 6.729527833788968 (0.00287196% change) linmin: converged after 3 iterations. iteration 39: trace = 6.729325309272428 (0.00300954% change) linmin: converged after 4 iterations. iteration 40: trace = 6.729238825161824 (0.00128519% change) linmin: converged after 3 iterations. iteration 41: trace = 6.729183790569028 (0.000817846% change) linmin: converged after 4 iterations. iteration 42: trace = 6.729120122972619 (0.000946146% change) linmin: converged after 3 iterations. iteration 43: trace = 6.729017043899399 (0.00153185% change) linmin: converged after 3 iterations. iteration 44: trace = 6.728962331353364 (0.000813087% change) linmin: converged after 3 iterations. iteration 45: trace = 6.728906726607305 (0.000826353% change) linmin: converged after 3 iterations. iteration 46: trace = 6.7288674966053 (0.000583009% change) linmin: converged after 3 iterations. iteration 47: trace = 6.728848431854964 (0.000283328% change) linmin: converged after 3 iterations. iteration 48: trace = 6.728839597388681 (0.000131292% change) linmin: converged after 4 iterations. iteration 49: trace = 6.728828037458575 (0.000171797% change) linmin: converged after 5 iterations. iteration 50: trace = 6.728815695933926 (0.000183413% change) linmin: converged after 4 iterations. iteration 51: trace = 6.728808306215958 (0.000109822% change) linmin: converged after 3 iterations. iteration 52: trace = 6.728797313712378 (0.000163365% change) linmin: converged after 3 iterations. iteration 53: trace = 6.728790324696873 (0.000103867% change) linmin: converged after 5 iterations. iteration 54: trace = 6.728785445280219 (7.25155e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.728781936304378 (5.21487e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.728777421827271 (6.70921e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.728774456663765 (4.40669e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.728770671165874 (5.62584e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.728766385179979 (6.36964e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.728759704126928 (9.9291e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 6.728756010862691 (5.48878e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 6.728751331413709 (6.95441e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.728747964603276 (5.00362e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.728746081765632 (2.7982e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.728743718559665 (3.51211e-05% change) linmin: converged after 7 iterations. iteration 66: trace = 6.728741219483796 (3.71403e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 6.728737884044169 (4.95701e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 6.728735364386599 (3.74462e-05% change) linmin: converged after 7 iterations. iteration 69: trace = 6.728731339106885 (5.98223e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.728730345702195 (1.47636e-05% change) linmin: converged after 3 iterations. iteration 71: trace = 6.728729609107984 (1.0947e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.728728724223193 (1.31508e-05% change) linmin: converged after 4 iterations. iteration 73: trace = 6.728727748843896 (1.44957e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 6.728727117814104 (9.37814e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.728726358653099 (1.12824e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 6.72872554741707 (1.20563e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 6.72872509030366 (6.79346e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.728724367522501 (1.07417e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 6.72872358826846 (1.1581e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 6.728722668986204 (1.36621e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 6.728722087340357 (8.64422e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 6.728721147171524 (1.39725e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 6.728720480061222 (9.91437e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.728720022561202 (6.79921e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.728719590887069 (6.4154e-06% change) linmin: converged after 3 iterations. iteration 86: trace = 6.728719153441071 (6.50118e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.728718340009831 (1.20889e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.72871740899841 (1.38364e-05% change) linmin: converged after 4 iterations. iteration 89: trace = 6.728717035071343 (5.55718e-06% change) linmin: converged after 5 iterations. iteration 90: trace = 6.728716494418849 (8.035e-06% change) linmin: converged after 3 iterations. iteration 91: trace = 6.728716174161589 (4.75956e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 6.72871587428043 (4.45674e-06% change) linmin: converged after 11 iterations. iteration 93: trace = 6.72871560798205 (3.95764e-06% change) large trace change predicted (1.12239e-05%) linmin: converged after 5 iterations. iteration 94: trace = 6.728714852607432 (1.12261e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 6.728714143438846 (1.05394e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 6.728713790549917 (5.24452e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.728713564804392 (3.35496e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 6.728713374895941 (2.82236e-06% change) linmin: converged after 2 iterations. iteration 99: trace = 6.728713158701467 (3.21301e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 6.728713034439581 (1.84674e-06% change) large trace change predicted (4.58133e-06%) linmin: converged after 10 iterations. iteration 101: trace = 6.72871272617565 (4.58132e-06% change) linmin: converged after 5 iterations. iteration 102: trace = 6.728712545133647 (2.69059e-06% change) linmin: converged after 3 iterations. iteration 103: trace = 6.72871245663579 (1.31523e-06% change) linmin: converged after 5 iterations. iteration 104: trace = 6.728712395632627 (9.0661e-07% change) linmin: converged after 18 iterations. iteration 105: trace = 6.728712336928318 (8.72445e-07% change) linmin: converged after 2 iterations. iteration 106: trace = 6.728712234813192 (1.5176e-06% change) linmin: converged after 18 iterations. iteration 107: trace = 6.728712175414977 (8.82758e-07% change) linmin: converged after 5 iterations. iteration 108: trace = 6.728712079897969 (1.41954e-06% change) linmin: converged after 4 iterations. iteration 109: trace = 6.728712039127421 (6.05919e-07% change) linmin: converged after 4 iterations. iteration 110: trace = 6.728712017364623 (3.23432e-07% change) linmin: converged after 3 iterations. iteration 111: trace = 6.728711999663398 (2.6307e-07% change) linmin: converged after 4 iterations. iteration 112: trace = 6.728711988199205 (1.70377e-07% change) large trace change predicted (5.35313e-07%) linmin: converged after 4 iterations. iteration 113: trace = 6.728711952180902 (5.35293e-07% change) linmin: converged after 3 iterations. iteration 114: trace = 6.728711934350375 (2.64992e-07% change) linmin: converged after 9 iterations. iteration 115: trace = 6.728711913892715 (3.04035e-07% change) linmin: converged after 4 iterations. iteration 116: trace = 6.728711900894777 (1.93171e-07% change) linmin: converged after 8 iterations. iteration 117: trace = 6.728711892057472 (1.31337e-07% change) linmin: converged after 6 iterations. iteration 118: trace = 6.728711886381656 (8.43522e-08% change) linmin: converged after 9 iterations. iteration 119: trace = 6.728711875162885 (1.6673e-07% change) linmin: converged after 7 iterations. iteration 120: trace = 6.728711860792624 (2.13566e-07% change) linmin: converged after 2 iterations. iteration 121: trace = 6.728711852035588 (1.30144e-07% change) linmin: converged after 4 iterations. iteration 122: trace = 6.728711846069638 (8.86641e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 6.72871184011905 (8.84358e-08% change) linmin: converged after 4 iterations. iteration 124: trace = 6.728711834492496 (8.36201e-08% change) linmin: converged after 14 iterations. iteration 125: trace = 6.728711831295445 (4.75136e-08% change) large trace change predicted (1.17141e-07%) linmin: converged after 5 iterations. iteration 126: trace = 6.728711823413446 (1.1714e-07% change) linmin: converged after 9 iterations. iteration 127: trace = 6.728711817748645 (8.41885e-08% change) linmin: converged after 18 iterations. iteration 128: trace = 6.728711814569593 (4.72461e-08% change) linmin: converged after 4 iterations. iteration 129: trace = 6.728711812211834 (3.50403e-08% change) large trace change predicted (8.45552e-08%) linmin: converged after 4 iterations. iteration 130: trace = 6.728711806522409 (8.45544e-08% change) large trace change predicted (2.29726e-07%) linmin: converged after 5 iterations. iteration 131: trace = 6.728711791065719 (2.29712e-07% change) linmin: converged after 4 iterations. iteration 132: trace = 6.728711774760903 (2.42317e-07% change) linmin: converged after 4 iterations. iteration 133: trace = 6.728711761604093 (1.95532e-07% change) linmin: converged after 4 iterations. iteration 134: trace = 6.728711750597898 (1.63571e-07% change) large trace change predicted (4.60699e-07%) linmin: converged after 10 iterations. iteration 135: trace = 6.728711719599451 (4.60689e-07% change) linmin: converged after 2 iterations. iteration 136: trace = 6.728711660575756 (8.77192e-07% change) large trace change predicted (2.08552e-06%) linmin: converged after 4 iterations. iteration 137: trace = 6.728711520211803 (2.08605e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 138: trace = 6.728465052028371 (0.003663% change) linmin: converged after 5 iterations. iteration 139: trace = 6.728464202183762 (1.26306e-05% change) resetting CG direction... large trace change predicted (0.0184248%) linmin: converged after 4 iterations. iteration 140: trace = 6.727225670170559 (0.018409% change) linmin: converged after 4 iterations. iteration 141: trace = 6.726387590530656 (0.0124588% change) linmin: converged after 3 iterations. iteration 142: trace = 6.725680184433979 (0.0105174% change) linmin: converged after 4 iterations. iteration 143: trace = 6.724746201346508 (0.0138878% change) linmin: converged after 7 iterations. iteration 144: trace = 6.724256167612527 (0.00728729% change) large trace change predicted (0.0177432%) linmin: converged after 3 iterations. iteration 145: trace = 6.723058136479112 (0.0178181% change) linmin: converged after 3 iterations. iteration 146: trace = 6.721590996713515 (0.0218249% change) linmin: converged after 3 iterations. iteration 147: trace = 6.720496417550089 (0.0162859% change) linmin: converged after 14 iterations. iteration 148: trace = 6.720120980306572 (0.00558661% change) linmin: converged after 3 iterations. iteration 149: trace = 6.719629682860772 (0.00731111% change) linmin: converged after 3 iterations. iteration 150: trace = 6.719110763872809 (0.00772273% change) linmin: converged after 4 iterations. iteration 151: trace = 6.718622998640353 (0.00725964% change) linmin: converged after 4 iterations. iteration 152: trace = 6.717873329396619 (0.0111587% change) linmin: converged after 4 iterations. iteration 153: trace = 6.717203357534577 (0.00997347% change) linmin: converged after 4 iterations. iteration 154: trace = 6.716425495957477 (0.0115808% change) linmin: converged after 3 iterations. iteration 155: trace = 6.716037014926792 (0.00578421% change) linmin: converged after 4 iterations. iteration 156: trace = 6.715270861601974 (0.0114085% change) linmin: converged after 3 iterations. iteration 157: trace = 6.714234395327811 (0.0154357% change) linmin: converged after 4 iterations. iteration 158: trace = 6.713314192592557 (0.0137062% change) linmin: converged after 3 iterations. iteration 159: trace = 6.711854503131645 (0.0217456% change) linmin: converged after 5 iterations. iteration 160: trace = 6.709898602357587 (0.0291452% change) linmin: converged after 4 iterations. iteration 161: trace = 6.707657310593067 (0.0334083% change) linmin: converged after 4 iterations. iteration 162: trace = 6.70652710815731 (0.0168509% change) linmin: converged after 4 iterations. iteration 163: trace = 6.704294987753909 (0.0332883% change) linmin: converged after 6 iterations. iteration 164: trace = 6.702317773522212 (0.0294961% change) linmin: converged after 5 iterations. iteration 165: trace = 6.699271102363946 (0.0454673% change) linmin: converged after 5 iterations. iteration 166: trace = 6.695290056097197 (0.0594427% change) linmin: converged after 7 iterations. iteration 167: trace = 6.691518722870164 (0.056344% change) linmin: converged after 5 iterations. iteration 168: trace = 6.687850703536997 (0.054831% change) linmin: converged after 4 iterations. iteration 169: trace = 6.685975389033564 (0.0280445% change) linmin: converged after 4 iterations. iteration 170: trace = 6.684721883185482 (0.01875% change) linmin: converged after 4 iterations. iteration 171: trace = 6.683252265551213 (0.0219871% change) linmin: converged after 3 iterations. iteration 172: trace = 6.682221944554534 (0.0154176% change) linmin: converged after 3 iterations. iteration 173: trace = 6.681419790185795 (0.012005% change) linmin: converged after 4 iterations. iteration 174: trace = 6.68015895408827 (0.0188726% change) linmin: converged after 4 iterations. iteration 175: trace = 6.678688261946259 (0.0220182% change) linmin: converged after 4 iterations. iteration 176: trace = 6.677398674762745 (0.0193109% change) linmin: converged after 4 iterations. iteration 177: trace = 6.675743896738738 (0.0247848% change) linmin: converged after 4 iterations. iteration 178: trace = 6.673850196175163 (0.0283709% change) linmin: converged after 4 iterations. iteration 179: trace = 6.672013635763772 (0.0275225% change) linmin: converged after 4 iterations. iteration 180: trace = 6.670262185606556 (0.0262541% change) linmin: converged after 4 iterations. iteration 181: trace = 6.669026805118524 (0.0185224% change) linmin: converged after 5 iterations. iteration 182: trace = 6.668049543301572 (0.0146548% change) linmin: converged after 4 iterations. iteration 183: trace = 6.666906768726656 (0.0171395% change) linmin: converged after 5 iterations. iteration 184: trace = 6.665999390113961 (0.0136111% change) linmin: converged after 3 iterations. iteration 185: trace = 6.665499340640187 (0.00750177% change) linmin: converged after 4 iterations. iteration 186: trace = 6.665024495688508 (0.00712418% change) linmin: converged after 3 iterations. iteration 187: trace = 6.664418224479248 (0.00909672% change) linmin: converged after 7 iterations. iteration 188: trace = 6.663924294348037 (0.00741173% change) linmin: converged after 3 iterations. iteration 189: trace = 6.663518663923695 (0.00608715% change) linmin: converged after 3 iterations. iteration 190: trace = 6.663009199644129 (0.00764587% change) linmin: converged after 5 iterations. iteration 191: trace = 6.662347801470429 (0.00992691% change) linmin: converged after 4 iterations. iteration 192: trace = 6.661524813297024 (0.0123536% change) linmin: converged after 4 iterations. iteration 193: trace = 6.660609132042394 (0.0137468% change) linmin: converged after 4 iterations. iteration 194: trace = 6.659930512179589 (0.0101891% change) linmin: converged after 6 iterations. iteration 195: trace = 6.659423967212249 (0.00760615% change) linmin: converged after 5 iterations. iteration 196: trace = 6.658845882317971 (0.00868108% change) linmin: converged after 3 iterations. iteration 197: trace = 6.65833465823114 (0.00767766% change) linmin: converged after 3 iterations. iteration 198: trace = 6.658045818890158 (0.00433811% change) linmin: converged after 3 iterations. iteration 199: trace = 6.657814669536256 (0.00347179% change) linmin: converged after 4 iterations. iteration 200: trace = 6.657518703428868 (0.00444549% change) linmin: converged after 3 iterations. iteration 201: trace = 6.65721478112431 (0.0045652% change) linmin: converged after 5 iterations. iteration 202: trace = 6.656933532200783 (0.00422481% change) linmin: converged after 3 iterations. iteration 203: trace = 6.656587843600366 (0.00519305% change) linmin: converged after 4 iterations. iteration 204: trace = 6.656175076130328 (0.00620108% change) linmin: converged after 3 iterations. iteration 205: trace = 6.655736760430188 (0.00658532% change) linmin: converged after 3 iterations. iteration 206: trace = 6.655282372011525 (0.00682725% change) linmin: converged after 3 iterations. iteration 207: trace = 6.654934601432212 (0.00522562% change) linmin: converged after 3 iterations. iteration 208: trace = 6.654678151045698 (0.00385361% change) linmin: converged after 3 iterations. iteration 209: trace = 6.654370645668481 (0.004621% change) resetting CG direction... large trace change predicted (0.00953096%) linmin: converged after 3 iterations. iteration 210: trace = 6.653734021942329 (0.00956746% change) linmin: converged after 4 iterations. iteration 211: trace = 6.652971331034476 (0.0114633% change) linmin: converged after 4 iterations. iteration 212: trace = 6.652002827476375 (0.0145585% change) linmin: converged after 3 iterations. iteration 213: trace = 6.651286209350241 (0.0107735% change) linmin: converged after 5 iterations. iteration 214: trace = 6.650837271835792 (0.00674986% change) large trace change predicted (0.0193391%) linmin: converged after 3 iterations. iteration 215: trace = 6.649539474461997 (0.0195152% change) linmin: converged after 3 iterations. iteration 216: trace = 6.648510083372565 (0.0154818% change) linmin: converged after 3 iterations. iteration 217: trace = 6.647980339916255 (0.00796817% change) linmin: converged after 3 iterations. iteration 218: trace = 6.647615451110134 (0.00548887% change) linmin: converged after 3 iterations. iteration 219: trace = 6.647091317934905 (0.00788484% change) linmin: converged after 4 iterations. iteration 220: trace = 6.646422541909829 (0.0100617% change) linmin: converged after 4 iterations. iteration 221: trace = 6.645551228482385 (0.0131104% change) linmin: converged after 3 iterations. iteration 222: trace = 6.644472138878054 (0.0162391% change) linmin: converged after 3 iterations. iteration 223: trace = 6.644009893870725 (0.00695708% change) linmin: converged after 4 iterations. iteration 224: trace = 6.643710157708425 (0.00451148% change) linmin: converged after 4 iterations. iteration 225: trace = 6.643375303506406 (0.0050403% change) linmin: converged after 4 iterations. iteration 226: trace = 6.64275621234844 (0.00931936% change) linmin: converged after 3 iterations. iteration 227: trace = 6.642363878543177 (0.00590636% change) linmin: converged after 4 iterations. iteration 228: trace = 6.641680994332497 (0.0102813% change) linmin: converged after 4 iterations. iteration 229: trace = 6.641114758871316 (0.00852585% change) linmin: converged after 3 iterations. iteration 230: trace = 6.64071368687978 (0.00603941% change) linmin: converged after 7 iterations. iteration 231: trace = 6.640434090562495 (0.00421042% change) linmin: converged after 5 iterations. iteration 232: trace = 6.640119211598217 (0.00474196% change) linmin: converged after 6 iterations. iteration 233: trace = 6.639902046612212 (0.00327055% change) linmin: converged after 4 iterations. iteration 234: trace = 6.63957501130691 (0.00492542% change) linmin: converged after 7 iterations. iteration 235: trace = 6.639325072147652 (0.00376446% change) linmin: converged after 4 iterations. iteration 236: trace = 6.639218484211825 (0.00160542% change) linmin: converged after 5 iterations. iteration 237: trace = 6.639148710078965 (0.00105094% change) linmin: converged after 6 iterations. iteration 238: trace = 6.639067895394519 (0.00121725% change) linmin: converged after 4 iterations. iteration 239: trace = 6.639016127198259 (0.000779754% change) linmin: converged after 4 iterations. iteration 240: trace = 6.638968472542567 (0.0007178% change) linmin: converged after 4 iterations. iteration 241: trace = 6.63889603719281 (0.00109107% change) linmin: converged after 7 iterations. iteration 242: trace = 6.638849856045798 (0.000695617% change) linmin: converged after 3 iterations. iteration 243: trace = 6.63881574346586 (0.000513834% change) linmin: converged after 8 iterations. iteration 244: trace = 6.638799478784 (0.000244994% change) linmin: converged after 3 iterations. iteration 245: trace = 6.638789010025883 (0.000157691% change) linmin: converged after 3 iterations. iteration 246: trace = 6.638782676455686 (9.54025e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 6.638771442919003 (0.000169211% change) linmin: converged after 5 iterations. iteration 248: trace = 6.63876396797207 (0.000112595% change) linmin: converged after 4 iterations. iteration 249: trace = 6.638757041238585 (0.000104338% change) linmin: converged after 4 iterations. iteration 250: trace = 6.63875181895463 (7.86636e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 6.638748272687267 (5.34177e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 6.638746723847516 (2.33303e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 6.638744550600101 (3.27358e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 6.638743112142956 (2.16676e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 6.638741274188764 (2.76853e-05% change) linmin: converged after 16 iterations. iteration 256: trace = 6.638739467298501 (2.72174e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 6.638738349202688 (1.6842e-05% change) linmin: converged after 6 iterations. iteration 258: trace = 6.638737835689367 (7.7351e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 6.638737218899633 (9.29077e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 6.638736854734873 (5.48545e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 6.63873627690166 (8.70396e-06% change) linmin: converged after 16 iterations. iteration 262: trace = 6.638735729089737 (8.25175e-06% change) linmin: converged after 4 iterations. iteration 263: trace = 6.6387352553989 (7.13526e-06% change) linmin: converged after 5 iterations. iteration 264: trace = 6.638735054672749 (3.02356e-06% change) linmin: converged after 5 iterations. iteration 265: trace = 6.638734869417193 (2.79052e-06% change) linmin: converged after 6 iterations. iteration 266: trace = 6.638734731754969 (2.07362e-06% change) linmin: converged after 16 iterations. iteration 267: trace = 6.638734628724432 (1.55196e-06% change) linmin: converged after 16 iterations. iteration 268: trace = 6.638734462768283 (2.49982e-06% change) linmin: converged after 16 iterations. iteration 269: trace = 6.638734304607528 (2.38239e-06% change) linmin: converged after 7 iterations. iteration 270: trace = 6.638734216530693 (1.32671e-06% change) linmin: converged after 5 iterations. iteration 271: trace = 6.638734134679857 (1.23293e-06% change) linmin: converged after 5 iterations. iteration 272: trace = 6.638734089154566 (6.85753e-07% change) linmin: converged after 6 iterations. iteration 273: trace = 6.638734054364789 (5.24042e-07% change) linmin: converged after 4 iterations. iteration 274: trace = 6.63873399397008 (9.09732e-07% change) linmin: converged after 7 iterations. iteration 275: trace = 6.638733923635748 (1.05945e-06% change) linmin: converged after 4 iterations. iteration 276: trace = 6.638733868929354 (8.24049e-07% change) linmin: converged after 8 iterations. iteration 277: trace = 6.638733816587413 (7.88433e-07% change) linmin: converged after 7 iterations. iteration 278: trace = 6.638733780054953 (5.50293e-07% change) linmin: converged after 5 iterations. iteration 279: trace = 6.638733762993164 (2.57004e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 6.638733753319537 (1.45715e-07% change) linmin: converged after 8 iterations. iteration 281: trace = 6.638733739343934 (2.10516e-07% change) linmin: converged after 4 iterations. iteration 282: trace = 6.638733714968705 (3.67167e-07% change) linmin: converged after 5 iterations. iteration 283: trace = 6.638733697635013 (2.61099e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 6.638733679257065 (2.76829e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 6.638733663313102 (2.40166e-07% change) linmin: converged after 5 iterations. iteration 286: trace = 6.638733649720824 (2.04742e-07% change) linmin: converged after 4 iterations. iteration 287: trace = 6.638733642397483 (1.10312e-07% change) large trace change predicted (3.06615e-07%) linmin: converged after 4 iterations. iteration 288: trace = 6.638733622042839 (3.06604e-07% change) linmin: converged after 11 iterations. iteration 289: trace = 6.638733598840012 (3.49507e-07% change) linmin: converged after 3 iterations. iteration 290: trace = 6.638733576526505 (3.36111e-07% change) linmin: converged after 5 iterations. iteration 291: trace = 6.638733563837013 (1.91143e-07% change) linmin: converged after 5 iterations. iteration 292: trace = 6.638733549820286 (2.11136e-07% change) linmin: converged after 4 iterations. iteration 293: trace = 6.638733541093235 (1.31457e-07% change) linmin: converged after 6 iterations. iteration 294: trace = 6.638733535467152 (8.47463e-08% change) linmin: converged after 3 iterations. iteration 295: trace = 6.638733526098875 (1.41115e-07% change) linmin: converged after 7 iterations. iteration 296: trace = 6.638733515386362 (1.61364e-07% change) linmin: converged after 5 iterations. iteration 297: trace = 6.638733504209687 (1.68356e-07% change) linmin: converged after 6 iterations. iteration 298: trace = 6.638733499493042 (7.10474e-08% change) linmin: converged after 6 iterations. iteration 299: trace = 6.638733493647839 (8.8047e-08% change) linmin: converged after 14 iterations. iteration 300: trace = 6.638733488792827 (7.31316e-08% change) linmin: converged after 22 iterations. iteration 301: trace = 6.638733482768131 (9.07507e-08% change) linmin: converged after 6 iterations. iteration 302: trace = 6.638733478266698 (6.78056e-08% change) linmin: converged after 4 iterations. iteration 303: trace = 6.638733471761608 (9.79869e-08% change) linmin: converged after 4 iterations. iteration 304: trace = 6.638733467798773 (5.96926e-08% change) linmin: converged after 4 iterations. iteration 305: trace = 6.638733466611077 (1.78904e-08% change) linmin: converged after 7 iterations. iteration 306: trace = 6.638733465224359 (2.08883e-08% change) linmin: converged after 4 iterations. iteration 307: trace = 6.638733463533532 (2.54691e-08% change) linmin: converged after 4 iterations. iteration 308: trace = 6.638733461458933 (3.12499e-08% change) linmin: converged after 4 iterations. iteration 309: trace = 6.638733459683483 (2.67438e-08% change) linmin: converged after 8 iterations. iteration 310: trace = 6.638733459151364 (8.01536e-09% change) linmin: converged after 2 iterations. iteration 311: trace = 6.638733458305864 (1.27359e-08% change) linmin: converged after 8 iterations. iteration 312: trace = 6.638733457933458 (5.6096e-09% change) linmin: converged after 17 iterations. iteration 313: trace = 6.638733457618706 (4.74114e-09% change) linmin: converged after 4 iterations. iteration 314: trace = 6.638733457246565 (5.6056e-09% change) linmin: converged after 4 iterations. iteration 315: trace = 6.63873345662853 (9.30954e-09% change) linmin: converged after 27 iterations. iteration 316: trace = 6.638733456168647 (6.92727e-09% change) linmin: converged after 6 iterations. iteration 317: trace = 6.638733456016138 (2.29726e-09% change) linmin: converged after 3 iterations. iteration 318: trace = 6.63873345592733 (1.33773e-09% change) linmin: converged after 3 iterations. iteration 319: trace = 6.638733455861431 (9.92635e-10% change) linmin: converged after 4 iterations. iteration 320: trace = 6.638733455788412 (1.09991e-09% change) linmin: converged after 4 iterations. iteration 321: trace = 6.63873345572871 (8.99292e-10% change) linmin: converged after 10 iterations. iteration 322: trace = 6.638733455645148 (1.25871e-09% change) linmin: converged after 4 iterations. iteration 323: trace = 6.638733455573155 (1.08444e-09% change) linmin: converged after 4 iterations. iteration 324: trace = 6.638733455556595 (2.49433e-10% change) linmin: converged after 4 iterations. iteration 325: trace = 6.638733455540329 (2.45018e-10% change) linmin: converged after 2 iterations. iteration 326: trace = 6.638733455526417 (2.09564e-10% change) linmin: converged after 6 iterations. iteration 327: trace = 6.638733455512361 (2.11718e-10% change) linmin: converged after 6 iterations. iteration 328: trace = 6.638733455504184 (1.23178e-10% change) linmin: converged after 4 iterations. iteration 329: trace = 6.638733455491636 (1.89015e-10% change) linmin: converged after 4 iterations. iteration 330: trace = 6.638733455483589 (1.21211e-10% change) linmin: converged after 3 iterations. iteration 331: trace = 6.638733455480923 (4.0163e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 elapsed time for k point: 2.0033717155456543 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.6260576636651 (0.100231% change) linmin: converged after 4 iterations. iteration 2: trace = 6.622613155506363 (0.0519978% change) linmin: converged after 3 iterations. iteration 3: trace = 6.620673763192594 (0.0292887% change) linmin: converged after 3 iterations. iteration 4: trace = 6.61959770366671 (0.0162543% change) linmin: converged after 3 iterations. iteration 5: trace = 6.618315111654894 (0.0193776% change) linmin: converged after 3 iterations. iteration 6: trace = 6.617219287554234 (0.0165588% change) linmin: converged after 4 iterations. iteration 7: trace = 6.615295861087446 (0.0290712% change) linmin: converged after 5 iterations. iteration 8: trace = 6.61417947717352 (0.0168772% change) linmin: converged after 3 iterations. iteration 9: trace = 6.613750797582683 (0.00648143% change) linmin: converged after 4 iterations. iteration 10: trace = 6.613492236553606 (0.00390952% change) linmin: converged after 3 iterations. iteration 11: trace = 6.613099997166025 (0.00593107% change) linmin: converged after 3 iterations. iteration 12: trace = 6.612508104554861 (0.00895071% change) linmin: converged after 3 iterations. iteration 13: trace = 6.611911604270607 (0.00902119% change) linmin: converged after 4 iterations. iteration 14: trace = 6.611621979155153 (0.00438045% change) linmin: converged after 5 iterations. iteration 15: trace = 6.61152879743824 (0.00140937% change) linmin: converged after 10 iterations. iteration 16: trace = 6.611478379688956 (0.000762576% change) linmin: converged after 3 iterations. iteration 17: trace = 6.611426401150281 (0.000786189% change) linmin: converged after 3 iterations. iteration 18: trace = 6.611356799138305 (0.00105276% change) linmin: converged after 3 iterations. iteration 19: trace = 6.611309368452345 (0.000717415% change) linmin: converged after 3 iterations. iteration 20: trace = 6.611236277861248 (0.00110554% change) linmin: converged after 3 iterations. iteration 21: trace = 6.611184239585778 (0.000787122% change) linmin: converged after 3 iterations. iteration 22: trace = 6.611157390189376 (0.000406122% change) linmin: converged after 4 iterations. iteration 23: trace = 6.611149760151916 (0.000115412% change) linmin: converged after 3 iterations. iteration 24: trace = 6.611137418040058 (0.000186686% change) linmin: converged after 6 iterations. iteration 25: trace = 6.611117109453347 (0.000307188% change) linmin: converged after 3 iterations. iteration 26: trace = 6.611106886969172 (0.000154626% change) linmin: converged after 4 iterations. iteration 27: trace = 6.611093350464097 (0.000204754% change) linmin: converged after 3 iterations. iteration 28: trace = 6.611088832489158 (6.83393e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.611086831710893 (3.0264e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 6.611085128689046 (2.57601e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.611082646624049 (3.7544e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.611078563754775 (6.1758e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.611077155520979 (2.13011e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.611075809232332 (2.03641e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.611075193893146 (9.3077e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 6.611074698949416 (7.48658e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.611074407602309 (4.40696e-06% change) large trace change predicted (9.33395e-06%) linmin: converged after 7 iterations. iteration 38: trace = 6.611073790566093 (9.33337e-06% change) linmin: converged after 3 iterations. iteration 39: trace = 6.611073203340129 (8.88246e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 6.611073052510149 (2.28147e-06% change) linmin: converged after 23 iterations. iteration 41: trace = 6.611072941966639 (1.6721e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 6.611072860997261 (1.22475e-06% change) linmin: converged after 3 iterations. iteration 43: trace = 6.611072808574963 (7.92947e-07% change) linmin: converged after 9 iterations. iteration 44: trace = 6.611072776016216 (4.92488e-07% change) linmin: converged after 11 iterations. iteration 45: trace = 6.611072738164962 (5.72543e-07% change) linmin: converged after 7 iterations. iteration 46: trace = 6.611072698871501 (5.94358e-07% change) linmin: converged after 11 iterations. iteration 47: trace = 6.611072683715105 (2.29258e-07% change) linmin: converged after 12 iterations. iteration 48: trace = 6.611072672234465 (1.73658e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.611072662758118 (1.43341e-07% change) linmin: converged after 4 iterations. iteration 50: trace = 6.611072656974429 (8.74849e-08% change) linmin: converged after 6 iterations. iteration 51: trace = 6.611072652150455 (7.29681e-08% change) linmin: converged after 11 iterations. iteration 52: trace = 6.6110726464698 (8.59264e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 6.611072641173973 (8.01054e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.611072640190232 (1.48802e-08% change) linmin: converged after 13 iterations. iteration 55: trace = 6.611072639602208 (8.89454e-09% change) linmin: converged after 18 iterations. iteration 56: trace = 6.611072639215561 (5.84848e-09% change) linmin: converged after 19 iterations. iteration 57: trace = 6.611072638759536 (6.89789e-09% change) linmin: converged after 9 iterations. iteration 58: trace = 6.611072638475058 (4.30306e-09% change) linmin: converged after 24 iterations. iteration 59: trace = 6.611072638036691 (6.6308e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 6.611072637785712 (3.79634e-09% change) linmin: converged after 23 iterations. iteration 61: trace = 6.611072637654464 (1.98527e-09% change) linmin: converged after 8 iterations. iteration 62: trace = 6.611072637585958 (1.03623e-09% change) linmin: converged after 10 iterations. iteration 63: trace = 6.611072637534597 (7.76902e-10% change) linmin: converged after 5 iterations. iteration 64: trace = 6.611072637495156 (5.96582e-10% change) linmin: converged after 5 iterations. iteration 65: trace = 6.611072637473903 (3.21479e-10% change) large trace change predicted (1.05746e-09%) linmin: converged after 7 iterations. iteration 66: trace = 6.611072637403989 (1.05753e-09% change) linmin: converged after 5 iterations. iteration 67: trace = 6.611072637378327 (3.88169e-10% change) linmin: converged after 10 iterations. iteration 68: trace = 6.611072637366791 (1.7449e-10% change) linmin: converged after 3 iterations. iteration 69: trace = 6.611072637361785 (7.57315e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 elapsed time for k point: 0.4222724437713623 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.696548452574453 (0.194448% change) linmin: converged after 3 iterations. iteration 2: trace = 6.68934246550691 (0.107665% change) linmin: converged after 3 iterations. iteration 3: trace = 6.684968588109188 (0.0654071% change) linmin: converged after 4 iterations. iteration 4: trace = 6.682654417949922 (0.0346235% change) linmin: converged after 3 iterations. iteration 5: trace = 6.680578974781489 (0.031062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.677750730955622 (0.0423443% change) linmin: converged after 3 iterations. iteration 7: trace = 6.674361515953921 (0.0507667% change) linmin: converged after 4 iterations. iteration 8: trace = 6.672549249849368 (0.0271563% change) linmin: converged after 4 iterations. iteration 9: trace = 6.670357073705703 (0.0328591% change) linmin: converged after 4 iterations. iteration 10: trace = 6.669034273193324 (0.019833% change) linmin: converged after 3 iterations. iteration 11: trace = 6.667931878740369 (0.0165314% change) linmin: converged after 4 iterations. iteration 12: trace = 6.667446347570774 (0.00728185% change) large trace change predicted (0.0240835%) linmin: converged after 4 iterations. iteration 13: trace = 6.665843395724869 (0.0240444% change) linmin: converged after 3 iterations. iteration 14: trace = 6.664868522369391 (0.014626% change) linmin: converged after 3 iterations. iteration 15: trace = 6.663981786838425 (0.0133055% change) linmin: converged after 3 iterations. iteration 16: trace = 6.663285117050775 (0.0104548% change) linmin: converged after 4 iterations. iteration 17: trace = 6.662813208995669 (0.00708246% change) linmin: converged after 3 iterations. iteration 18: trace = 6.662657367837145 (0.002339% change) linmin: converged after 3 iterations. iteration 19: trace = 6.662510138456993 (0.00220979% change) large trace change predicted (0.00524066%) linmin: converged after 3 iterations. iteration 20: trace = 6.662160849172216 (0.00524275% change) linmin: converged after 4 iterations. iteration 21: trace = 6.6619742098717 (0.00280152% change) linmin: converged after 4 iterations. iteration 22: trace = 6.661701520712338 (0.0040933% change) linmin: converged after 4 iterations. iteration 23: trace = 6.661499720848783 (0.0030293% change) linmin: converged after 3 iterations. iteration 24: trace = 6.661401436788111 (0.00147542% change) linmin: converged after 3 iterations. iteration 25: trace = 6.661330968882906 (0.00105786% change) linmin: converged after 4 iterations. iteration 26: trace = 6.661273357507079 (0.000864867% change) linmin: converged after 6 iterations. iteration 27: trace = 6.661214838038512 (0.000878507% change) linmin: converged after 4 iterations. iteration 28: trace = 6.661157759357232 (0.000856885% change) linmin: converged after 4 iterations. iteration 29: trace = 6.661112661270185 (0.000677033% change) linmin: converged after 13 iterations. iteration 30: trace = 6.661070300428092 (0.000635944% change) linmin: converged after 5 iterations. iteration 31: trace = 6.661058307974867 (0.000180038% change) linmin: converged after 3 iterations. iteration 32: trace = 6.661042292604195 (0.000240433% change) linmin: converged after 3 iterations. iteration 33: trace = 6.661028283391409 (0.000210316% change) linmin: converged after 3 iterations. iteration 34: trace = 6.661012969908079 (0.000229897% change) linmin: converged after 3 iterations. iteration 35: trace = 6.661000272792445 (0.000190619% change) linmin: converged after 3 iterations. iteration 36: trace = 6.660981057700925 (0.000288472% change) linmin: converged after 3 iterations. iteration 37: trace = 6.660974846350101 (9.32498e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.660970536537528 (6.47025e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 6.660965329883129 (7.81666e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 6.660960399141092 (7.40245e-05% change) linmin: converged after 9 iterations. iteration 41: trace = 6.660955690692173 (7.06873e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.660951410711075 (6.42548e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 6.660948058569119 (5.03253e-05% change) linmin: converged after 7 iterations. iteration 44: trace = 6.660947085941372 (1.46019e-05% change) large trace change predicted (2.98581e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.660945097034071 (2.98592e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.660943821783676 (1.91452e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 6.660942440495745 (2.07371e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.660941469353187 (1.45797e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.660940204101015 (1.89951e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 6.660939460724643 (1.11602e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.66093894801723 (7.69722e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.660938435135448 (7.69984e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.660938003142447 (6.48547e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 6.66093769090408 (4.6876e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.66093725847799 (6.49197e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 6.660937080980935 (2.66475e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 6.660937039755714 (6.1891e-07% change) linmin: converged after 4 iterations. iteration 58: trace = 6.660936992661449 (7.07022e-07% change) linmin: converged after 3 iterations. iteration 59: trace = 6.660936943514294 (7.37841e-07% change) linmin: converged after 8 iterations. iteration 60: trace = 6.660936890542162 (7.95265e-07% change) linmin: converged after 2 iterations. iteration 61: trace = 6.660936833462838 (8.56926e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 6.660936777950853 (8.33396e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 6.660936765941797 (1.80291e-07% change) linmin: converged after 2 iterations. iteration 64: trace = 6.660936755015155 (1.64041e-07% change) linmin: converged after 6 iterations. iteration 65: trace = 6.660936746504003 (1.27777e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.660936740708101 (8.70133e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.660936737168779 (5.31355e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.660936730929 (9.36772e-08% change) linmin: converged after 9 iterations. iteration 69: trace = 6.660936726671792 (6.39131e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.660936725038566 (2.45195e-08% change) linmin: converged after 2 iterations. iteration 71: trace = 6.660936723757438 (1.92334e-08% change) linmin: converged after 6 iterations. iteration 72: trace = 6.660936722379987 (2.06795e-08% change) linmin: converged after 33 iterations. iteration 73: trace = 6.66093672137998 (1.5013e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.660936720551226 (1.2442e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.660936719202968 (2.02413e-08% change) linmin: converged after 4 iterations. iteration 76: trace = 6.660936718301423 (1.35348e-08% change) linmin: converged after 18 iterations. iteration 77: trace = 6.660936717516629 (1.1782e-08% change) linmin: converged after 15 iterations. iteration 78: trace = 6.660936716875789 (9.62086e-09% change) linmin: converged after 25 iterations. iteration 79: trace = 6.660936716382007 (7.4131e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.660936716199179 (2.74479e-09% change) linmin: converged after 4 iterations. iteration 81: trace = 6.660936715851733 (5.21617e-09% change) linmin: converged after 22 iterations. iteration 82: trace = 6.660936715504791 (5.20861e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.660936715305027 (2.99903e-09% change) linmin: converged after 27 iterations. iteration 84: trace = 6.66093671508835 (3.25296e-09% change) linmin: converged after 5 iterations. iteration 85: trace = 6.660936714937364 (2.26674e-09% change) linmin: converged after 9 iterations. iteration 86: trace = 6.660936714833896 (1.55336e-09% change) linmin: converged after 3 iterations. iteration 87: trace = 6.660936714747509 (1.29692e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 6.660936714695935 (7.74273e-10% change) linmin: converged after 6 iterations. iteration 89: trace = 6.660936714617487 (1.17772e-09% change) linmin: converged after 18 iterations. iteration 90: trace = 6.66093671457714 (6.0573e-10% change) linmin: converged after 7 iterations. iteration 91: trace = 6.660936714542649 (5.17818e-10% change) linmin: converged after 19 iterations. iteration 92: trace = 6.66093671452329 (2.90631e-10% change) linmin: converged after 6 iterations. iteration 93: trace = 6.660936714512652 (1.59703e-10% change) linmin: converged after 23 iterations. iteration 94: trace = 6.660936714494253 (2.7623e-10% change) linmin: converged after 4 iterations. iteration 95: trace = 6.660936714476417 (2.67763e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.660936714462952 (2.02146e-10% change) linmin: converged after 6 iterations. iteration 97: trace = 6.660936714455913 (1.05686e-10% change) linmin: converged after 3 iterations. iteration 98: trace = 6.660936714447594 (1.24888e-10% change) linmin: converged after 4 iterations. iteration 99: trace = 6.660936714441473 (9.18989e-11% change) Finished solving for bands 1 to 8 after 99 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 elapsed time for k point: 0.6000425815582275 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.828693365824004 (0.258209% change) linmin: converged after 4 iterations. iteration 2: trace = 6.81491531333085 (0.201971% change) linmin: converged after 4 iterations. iteration 3: trace = 6.803492943791591 (0.167749% change) linmin: converged after 4 iterations. iteration 4: trace = 6.798487715310334 (0.0735956% change) linmin: converged after 4 iterations. iteration 5: trace = 6.793362049054725 (0.0754226% change) linmin: converged after 4 iterations. iteration 6: trace = 6.785739546110888 (0.112268% change) linmin: converged after 4 iterations. iteration 7: trace = 6.782649098280649 (0.0455536% change) large trace change predicted (0.100602%) linmin: converged after 4 iterations. iteration 8: trace = 6.775937084960444 (0.0990076% change) linmin: converged after 4 iterations. iteration 9: trace = 6.767502319495193 (0.124559% change) linmin: converged after 5 iterations. iteration 10: trace = 6.763226777760307 (0.0631975% change) linmin: converged after 4 iterations. iteration 11: trace = 6.757059804096025 (0.0912255% change) linmin: converged after 3 iterations. iteration 12: trace = 6.751376539552863 (0.0841439% change) linmin: converged after 3 iterations. iteration 13: trace = 6.749201093205061 (0.0322275% change) large trace change predicted (0.0987653%) linmin: converged after 4 iterations. iteration 14: trace = 6.742591395271164 (0.097981% change) linmin: converged after 3 iterations. iteration 15: trace = 6.740640520736622 (0.0289378% change) linmin: converged after 4 iterations. iteration 16: trace = 6.737712722144593 (0.0434445% change) linmin: converged after 4 iterations. iteration 17: trace = 6.73452098326382 (0.0473825% change) linmin: converged after 4 iterations. iteration 18: trace = 6.732582978654195 (0.0287813% change) linmin: converged after 4 iterations. iteration 19: trace = 6.729242279218445 (0.0496322% change) linmin: converged after 4 iterations. iteration 20: trace = 6.728109380356157 (0.0168369% change) linmin: converged after 3 iterations. iteration 21: trace = 6.726644100330462 (0.0217809% change) linmin: converged after 4 iterations. iteration 22: trace = 6.725872586664417 (0.0114702% change) linmin: converged after 3 iterations. iteration 23: trace = 6.725359747865309 (0.00762516% change) linmin: converged after 21 iterations. iteration 24: trace = 6.724756270469366 (0.00897356% change) linmin: converged after 4 iterations. iteration 25: trace = 6.724231366871892 (0.00780585% change) linmin: converged after 4 iterations. iteration 26: trace = 6.723530396492713 (0.0104251% change) linmin: converged after 4 iterations. iteration 27: trace = 6.723053589910712 (0.00709186% change) linmin: converged after 4 iterations. iteration 28: trace = 6.722658831569981 (0.00587188% change) linmin: converged after 5 iterations. iteration 29: trace = 6.722318025801377 (0.00506964% change) linmin: converged after 3 iterations. iteration 30: trace = 6.722110957479178 (0.00308036% change) linmin: converged after 3 iterations. iteration 31: trace = 6.721805734272037 (0.00454069% change) linmin: converged after 3 iterations. iteration 32: trace = 6.721654561005488 (0.00224902% change) linmin: converged after 3 iterations. iteration 33: trace = 6.721517311503868 (0.00204192% change) linmin: converged after 3 iterations. iteration 34: trace = 6.721358449047066 (0.00236352% change) linmin: converged after 3 iterations. iteration 35: trace = 6.721272068097353 (0.00128518% change) linmin: converged after 3 iterations. iteration 36: trace = 6.721179708634331 (0.00137415% change) linmin: converged after 6 iterations. iteration 37: trace = 6.721123311312419 (0.000839102% change) linmin: converged after 5 iterations. iteration 38: trace = 6.721064014980577 (0.000882242% change) linmin: converged after 3 iterations. iteration 39: trace = 6.720970932018229 (0.00138495% change) linmin: converged after 6 iterations. iteration 40: trace = 6.720931124316433 (0.000592293% change) large trace change predicted (0.00161295%) linmin: converged after 3 iterations. iteration 41: trace = 6.720822629671658 (0.00161429% change) linmin: converged after 4 iterations. iteration 42: trace = 6.72079846265409 (0.000359585% change) large trace change predicted (0.00072696%) linmin: converged after 5 iterations. iteration 43: trace = 6.720749736141956 (0.000725013% change) linmin: converged after 6 iterations. iteration 44: trace = 6.72072260233406 (0.000403733% change) linmin: converged after 9 iterations. iteration 45: trace = 6.72070519794796 (0.000258966% change) large trace change predicted (0.000642169%) linmin: converged after 6 iterations. iteration 46: trace = 6.720662129158626 (0.000640839% change) linmin: converged after 3 iterations. iteration 47: trace = 6.720647159202968 (0.000222745% change) linmin: converged after 4 iterations. iteration 48: trace = 6.720620434442544 (0.000397652% change) linmin: converged after 4 iterations. iteration 49: trace = 6.720599312394453 (0.000314288% change) linmin: converged after 3 iterations. iteration 50: trace = 6.720588138740021 (0.00016626% change) linmin: converged after 3 iterations. iteration 51: trace = 6.720572437757358 (0.000233625% change) linmin: converged after 3 iterations. iteration 52: trace = 6.720560502977415 (0.000177586% change) linmin: converged after 5 iterations. iteration 53: trace = 6.720550779021665 (0.00014469% change) linmin: converged after 3 iterations. iteration 54: trace = 6.72054201605287 (0.000130391% change) linmin: converged after 5 iterations. iteration 55: trace = 6.720538072124155 (5.86847e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.720533815636847 (6.33355e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.720531117060512 (4.01542e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 6.720527587293265 (5.25222e-05% change) linmin: converged after 4 iterations. iteration 59: trace = 6.720523743289104 (5.7198e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.720520452342011 (4.89686e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 6.720515636146466 (7.16641e-05% change) linmin: converged after 11 iterations. iteration 62: trace = 6.720513695801111 (2.8872e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.720511339817818 (3.50566e-05% change) linmin: converged after 2 iterations. iteration 64: trace = 6.720510233758202 (1.6458e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.7205095257317 (1.05353e-05% change) linmin: converged after 2 iterations. iteration 66: trace = 6.720508403500634 (1.66986e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.720507795705634 (9.04388e-06% change) large trace change predicted (2.55121e-05%) linmin: converged after 4 iterations. iteration 68: trace = 6.720506081209342 (2.55114e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 6.720505166233876 (1.36147e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.720504632564524 (7.94091e-06% change) linmin: converged after 3 iterations. iteration 71: trace = 6.720503757921638 (1.30145e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.720503155132286 (8.96941e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.720502825006813 (4.91221e-06% change) linmin: converged after 3 iterations. iteration 74: trace = 6.720502267138848 (8.30099e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.72050161821459 (9.65589e-06% change) linmin: converged after 3 iterations. iteration 76: trace = 6.720501329636397 (4.294e-06% change) linmin: converged after 3 iterations. iteration 77: trace = 6.720500923073919 (6.04959e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.7205004497822 (7.04251e-06% change) linmin: converged after 3 iterations. iteration 79: trace = 6.720500091190194 (5.33579e-06% change) linmin: converged after 3 iterations. iteration 80: trace = 6.720499710770521 (5.66059e-06% change) linmin: converged after 7 iterations. iteration 81: trace = 6.720499408715081 (4.49454e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 6.720499351491902 (8.51472e-07% change) linmin: converged after 7 iterations. iteration 83: trace = 6.720499245520994 (1.57683e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 6.720499132663288 (1.67931e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 6.720498947976651 (2.74811e-06% change) linmin: converged after 8 iterations. iteration 86: trace = 6.720498868915341 (1.17642e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.720498762222831 (1.58757e-06% change) linmin: converged after 2 iterations. iteration 88: trace = 6.720498674231538 (1.3093e-06% change) linmin: converged after 5 iterations. iteration 89: trace = 6.720498653875839 (3.0289e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.720498625620474 (4.20436e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.720498602840975 (3.38955e-07% change) linmin: converged after 18 iterations. iteration 92: trace = 6.720498591264342 (1.72259e-07% change) large trace change predicted (4.49888e-07%) linmin: converged after 4 iterations. iteration 93: trace = 6.720498561030472 (4.49875e-07% change) linmin: converged after 3 iterations. iteration 94: trace = 6.720498532165731 (4.29503e-07% change) linmin: converged after 3 iterations. iteration 95: trace = 6.720498516270226 (2.36523e-07% change) linmin: converged after 4 iterations. iteration 96: trace = 6.720498508965846 (1.08688e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.720498499076913 (1.47146e-07% change) linmin: converged after 19 iterations. iteration 98: trace = 6.720498492691434 (9.5015e-08% change) linmin: converged after 7 iterations. iteration 99: trace = 6.720498490784987 (2.83676e-08% change) large trace change predicted (6.5941e-08%) linmin: converged after 10 iterations. iteration 100: trace = 6.720498486353334 (6.59423e-08% change) linmin: converged after 4 iterations. iteration 101: trace = 6.720498482665715 (5.48712e-08% change) linmin: converged after 12 iterations. iteration 102: trace = 6.720498480517313 (3.19679e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 6.720498478115991 (3.57313e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.720498474287696 (5.69645e-08% change) linmin: converged after 29 iterations. iteration 105: trace = 6.720498473541149 (1.11085e-08% change) large trace change predicted (2.47838e-08%) linmin: converged after 4 iterations. iteration 106: trace = 6.720498471875564 (2.47837e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.720498471055208 (1.22068e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 6.720498470350883 (1.04803e-08% change) linmin: converged after 4 iterations. iteration 109: trace = 6.720498469397505 (1.41861e-08% change) linmin: converged after 5 iterations. iteration 110: trace = 6.720498468545252 (1.26814e-08% change) linmin: converged after 31 iterations. iteration 111: trace = 6.720498468272286 (4.0617e-09% change) large trace change predicted (9.26929e-09%) linmin: converged after 5 iterations. iteration 112: trace = 6.720498467649367 (9.26893e-09% change) linmin: converged after 4 iterations. iteration 113: trace = 6.720498466966988 (1.01537e-08% change) linmin: converged after 10 iterations. iteration 114: trace = 6.720498466587099 (5.65269e-09% change) linmin: converged after 8 iterations. iteration 115: trace = 6.720498466423583 (2.4331e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 6.72049846625117 (2.56547e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 6.720498466094205 (2.33562e-09% change) linmin: converged after 30 iterations. iteration 118: trace = 6.720498466028793 (9.73316e-10% change) large trace change predicted (2.31059e-09%) linmin: converged after 4 iterations. iteration 119: trace = 6.720498465873534 (2.31024e-09% change) linmin: converged after 10 iterations. iteration 120: trace = 6.720498465800697 (1.0838e-09% change) linmin: converged after 4 iterations. iteration 121: trace = 6.720498465753364 (7.04305e-10% change) linmin: converged after 18 iterations. iteration 122: trace = 6.720498465699117 (8.07191e-10% change) linmin: converged after 6 iterations. iteration 123: trace = 6.720498465620707 (1.16672e-09% change) linmin: converged after 4 iterations. iteration 124: trace = 6.720498465592529 (4.1929e-10% change) linmin: converged after 4 iterations. iteration 125: trace = 6.72049846557295 (2.91333e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.720498465558395 (2.16583e-10% change) linmin: converged after 12 iterations. iteration 127: trace = 6.720498465555194 (4.76303e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 elapsed time for k point: 0.7704823017120361 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.805955352031835 (0.370679% change) linmin: converged after 5 iterations. iteration 2: trace = 6.786471645847239 (0.286685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.766412309853988 (0.296016% change) linmin: converged after 5 iterations. iteration 4: trace = 6.762821497824874 (0.0530823% change) large trace change predicted (0.161507%) linmin: converged after 4 iterations. iteration 5: trace = 6.75155062614866 (0.166798% change) linmin: converged after 4 iterations. iteration 6: trace = 6.745349182879033 (0.0918943% change) linmin: converged after 4 iterations. iteration 7: trace = 6.741351558095389 (0.0592825% change) linmin: converged after 3 iterations. iteration 8: trace = 6.737815057785499 (0.0524736% change) linmin: converged after 4 iterations. iteration 9: trace = 6.736500260020686 (0.0195156% change) large trace change predicted (0.0500717%) linmin: converged after 3 iterations. iteration 10: trace = 6.733113218000609 (0.0502916% change) linmin: converged after 3 iterations. iteration 11: trace = 6.731523332423912 (0.0236157% change) linmin: converged after 3 iterations. iteration 12: trace = 6.729172145607876 (0.0349341% change) linmin: converged after 4 iterations. iteration 13: trace = 6.726626433151624 (0.0378381% change) linmin: converged after 4 iterations. iteration 14: trace = 6.725266955478946 (0.0202124% change) linmin: converged after 4 iterations. iteration 15: trace = 6.722631950808276 (0.0391883% change) linmin: converged after 4 iterations. iteration 16: trace = 6.721297259955682 (0.0198557% change) linmin: converged after 3 iterations. iteration 17: trace = 6.71879867059258 (0.0371811% change) linmin: converged after 4 iterations. iteration 18: trace = 6.717806207398143 (0.0147725% change) linmin: converged after 3 iterations. iteration 19: trace = 6.716974623076929 (0.0123796% change) linmin: converged after 3 iterations. iteration 20: trace = 6.71637301711614 (0.0089569% change) linmin: converged after 4 iterations. iteration 21: trace = 6.716154275586822 (0.00325689% change) large trace change predicted (0.0101656%) linmin: converged after 4 iterations. iteration 22: trace = 6.715471626096691 (0.0101648% change) linmin: converged after 4 iterations. iteration 23: trace = 6.71518347118853 (0.004291% change) large trace change predicted (0.0113969%) linmin: converged after 3 iterations. iteration 24: trace = 6.714417828794597 (0.0114023% change) linmin: converged after 3 iterations. iteration 25: trace = 6.714023678705928 (0.00587038% change) linmin: converged after 4 iterations. iteration 26: trace = 6.713806562251935 (0.00323383% change) linmin: converged after 4 iterations. iteration 27: trace = 6.713579668693027 (0.00337956% change) linmin: converged after 4 iterations. iteration 28: trace = 6.713511728607021 (0.00101199% change) large trace change predicted (0.0020878%) linmin: converged after 3 iterations. iteration 29: trace = 6.713371328352466 (0.00209133% change) linmin: converged after 3 iterations. iteration 30: trace = 6.713315046237599 (0.000838362% change) large trace change predicted (0.00185104%) linmin: converged after 4 iterations. iteration 31: trace = 6.713190941339971 (0.00184866% change) linmin: converged after 3 iterations. iteration 32: trace = 6.713118652377476 (0.00107683% change) linmin: converged after 4 iterations. iteration 33: trace = 6.713048703061627 (0.00104198% change) linmin: converged after 5 iterations. iteration 34: trace = 6.712960185520178 (0.0013186% change) linmin: converged after 3 iterations. iteration 35: trace = 6.712939421020381 (0.00030932% change) large trace change predicted (0.000713841%) linmin: converged after 3 iterations. iteration 36: trace = 6.712891502026764 (0.000713833% change) linmin: converged after 4 iterations. iteration 37: trace = 6.71288379616655 (0.000114792% change) large trace change predicted (0.000489822%) linmin: converged after 3 iterations. iteration 38: trace = 6.712850923731485 (0.000489693% change) linmin: converged after 6 iterations. iteration 39: trace = 6.712831944322497 (0.000282733% change) linmin: converged after 3 iterations. iteration 40: trace = 6.712819122549863 (0.000191004% change) linmin: converged after 4 iterations. iteration 41: trace = 6.712799137569486 (0.000297714% change) linmin: converged after 3 iterations. iteration 42: trace = 6.712794544864233 (6.84172e-05% change) large trace change predicted (0.000162524%) linmin: converged after 5 iterations. iteration 43: trace = 6.712783638493903 (0.000162472% change) linmin: converged after 11 iterations. iteration 44: trace = 6.712781295169769 (3.49084e-05% change) large trace change predicted (8.74419e-05%) linmin: converged after 4 iterations. iteration 45: trace = 6.712775425436074 (8.74412e-05% change) linmin: converged after 9 iterations. iteration 46: trace = 6.712773786932622 (2.44087e-05% change) large trace change predicted (5.15217e-05%) linmin: converged after 3 iterations. iteration 47: trace = 6.712770326994617 (5.15426e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.712767502420244 (4.20776e-05% change) linmin: converged after 8 iterations. iteration 49: trace = 6.712766705641736 (1.18696e-05% change) large trace change predicted (4.49226e-05%) linmin: converged after 3 iterations. iteration 50: trace = 6.712763689647757 (4.49292e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.712763102132034 (8.75222e-06% change) large trace change predicted (2.71658e-05%) linmin: converged after 2 iterations. iteration 52: trace = 6.71276127854624 (2.7166e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.712760419286989 (1.28004e-05% change) linmin: converged after 7 iterations. iteration 54: trace = 6.712759718356282 (1.04418e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.71275902216277 (1.03712e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.71275884752382 (2.6016e-06% change) large trace change predicted (8.44755e-06%) linmin: converged after 4 iterations. iteration 57: trace = 6.712758280566021 (8.44597e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.712758165037714 (1.72103e-06% change) large trace change predicted (5.84499e-06%) linmin: converged after 6 iterations. iteration 59: trace = 6.712757772742973 (5.84402e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.712757572256018 (2.98666e-06% change) linmin: converged after 3 iterations. iteration 61: trace = 6.712757429161202 (2.13168e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.712757251596218 (2.64519e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 6.712757218513527 (4.92833e-07% change) large trace change predicted (1.75918e-06%) linmin: converged after 4 iterations. iteration 64: trace = 6.712757100419477 (1.75925e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.712757077191751 (3.46024e-07% change) large trace change predicted (7.74689e-07%) linmin: converged after 7 iterations. iteration 66: trace = 6.712757025187551 (7.74707e-07% change) linmin: converged after 6 iterations. iteration 67: trace = 6.712756982435169 (6.36883e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.712756959206528 (3.46037e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.712756912967455 (6.88824e-07% change) resetting CG direction... linmin: converged after 24 iterations. iteration 70: trace = 6.712756900835401 (1.80731e-07% change) linmin: converged after 3 iterations. iteration 71: trace = 6.712756887602744 (1.97127e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.712756883382651 (6.28668e-08% change) large trace change predicted (1.50453e-07%) linmin: converged after 3 iterations. iteration 73: trace = 6.712756873283277 (1.5045e-07% change) linmin: converged after 4 iterations. iteration 74: trace = 6.712756865378772 (1.17753e-07% change) linmin: converged after 21 iterations. iteration 75: trace = 6.712756859672806 (8.50018e-08% change) large trace change predicted (2.04409e-07%) linmin: converged after 6 iterations. iteration 76: trace = 6.712756845951316 (2.04409e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 6.712756843609621 (3.48842e-08% change) large trace change predicted (1.27223e-07%) linmin: converged after 4 iterations. iteration 78: trace = 6.71275683506934 (1.27225e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 6.712756830475133 (6.84399e-08% change) linmin: converged after 6 iterations. iteration 80: trace = 6.712756828633527 (2.74344e-08% change) large trace change predicted (5.49577e-08%) linmin: converged after 4 iterations. iteration 81: trace = 6.712756824944322 (5.49581e-08% change) linmin: converged after 4 iterations. iteration 82: trace = 6.712756821598436 (4.98437e-08% change) linmin: converged after 17 iterations. iteration 83: trace = 6.712756819482644 (3.1519e-08% change) linmin: converged after 10 iterations. iteration 84: trace = 6.712756817407787 (3.09092e-08% change) linmin: converged after 5 iterations. iteration 85: trace = 6.712756816739338 (9.95788e-09% change) large trace change predicted (2.35922e-08%) linmin: converged after 3 iterations. iteration 86: trace = 6.712756815155657 (2.35921e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 6.712756814927111 (3.40465e-09% change) large trace change predicted (1.14616e-08%) linmin: converged after 18 iterations. iteration 88: trace = 6.712756814157732 (1.14614e-08% change) linmin: converged after 17 iterations. iteration 89: trace = 6.712756813635045 (7.78647e-09% change) linmin: converged after 14 iterations. iteration 90: trace = 6.71275681341351 (3.30022e-09% change) large trace change predicted (7.75074e-09%) linmin: converged after 25 iterations. iteration 91: trace = 6.712756812893209 (7.75092e-09% change) linmin: converged after 9 iterations. iteration 92: trace = 6.712756812760745 (1.97333e-09% change) large trace change predicted (5.88918e-09%) linmin: converged after 13 iterations. iteration 93: trace = 6.712756812365424 (5.8891e-09% change) linmin: converged after 3 iterations. iteration 94: trace = 6.712756812003807 (5.387e-09% change) linmin: converged after 7 iterations. iteration 95: trace = 6.712756811899509 (1.55373e-09% change) large trace change predicted (3.84346e-09%) linmin: converged after 11 iterations. iteration 96: trace = 6.712756811641516 (3.84332e-09% change) linmin: converged after 2 iterations. iteration 97: trace = 6.712756811536827 (1.55956e-09% change) linmin: converged after 4 iterations. iteration 98: trace = 6.712756811500308 (5.44014e-10% change) large trace change predicted (1.79942e-09%) linmin: converged after 7 iterations. iteration 99: trace = 6.712756811379516 (1.79944e-09% change) linmin: converged after 2 iterations. iteration 100: trace = 6.712756811259492 (1.788e-09% change) linmin: converged after 4 iterations. iteration 101: trace = 6.712756811223127 (5.41738e-10% change) linmin: converged after 10 iterations. iteration 102: trace = 6.712756811167312 (8.31475e-10% change) linmin: converged after 7 iterations. iteration 103: trace = 6.712756811117374 (7.43924e-10% change) linmin: converged after 2 iterations. iteration 104: trace = 6.712756811108303 (1.3513e-10% change) large trace change predicted (4.49877e-10%) linmin: converged after 4 iterations. iteration 105: trace = 6.712756811078102 (4.49901e-10% change) linmin: converged after 2 iterations. iteration 106: trace = 6.712756811070889 (1.07451e-10% change) large trace change predicted (2.43029e-10%) linmin: converged after 19 iterations. iteration 107: trace = 6.712756811054567 (2.4315e-10% change) linmin: converged after 9 iterations. iteration 108: trace = 6.71275681103773 (2.50824e-10% change) linmin: converged after 4 iterations. iteration 109: trace = 6.712756811022556 (2.26042e-10% change) linmin: converged after 4 iterations. iteration 110: trace = 6.712756811015986 (9.78844e-11% change) Finished solving for bands 1 to 8 after 110 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 elapsed time for k point: 0.67189621925354 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.804447595323905 (0.075091% change) large trace change predicted (0.247841%) linmin: converged after 3 iterations. iteration 2: trace = 6.787509709560569 (0.249234% change) linmin: converged after 12 iterations. iteration 3: trace = 6.78416600758117 (0.0492747% change) large trace change predicted (0.154108%) linmin: converged after 4 iterations. iteration 4: trace = 6.773847328685956 (0.152215% change) linmin: converged after 4 iterations. iteration 5: trace = 6.77251991858013 (0.019598% change) large trace change predicted (0.0906904%) linmin: converged after 4 iterations. iteration 6: trace = 6.7662211737164 (0.0930477% change) linmin: converged after 3 iterations. iteration 7: trace = 6.765489412066492 (0.0108155% change) large trace change predicted (0.0789839%) linmin: converged after 4 iterations. iteration 8: trace = 6.759960406114532 (0.0817571% change) linmin: converged after 3 iterations. iteration 9: trace = 6.759700044533112 (0.0038516% change) large trace change predicted (0.0309309%) linmin: converged after 3 iterations. iteration 10: trace = 6.757604007969362 (0.0310126% change) linmin: converged after 3 iterations. iteration 11: trace = 6.757369187106947 (0.00347497% change) large trace change predicted (0.0247096%) linmin: converged after 5 iterations. iteration 12: trace = 6.755700380516066 (0.0246991% change) linmin: converged after 4 iterations. iteration 13: trace = 6.755504919641139 (0.00289332% change) large trace change predicted (0.012852%) linmin: converged after 4 iterations. iteration 14: trace = 6.754652206748955 (0.0126233% change) linmin: converged after 4 iterations. iteration 15: trace = 6.754115945082325 (0.00793946% change) linmin: converged after 4 iterations. iteration 16: trace = 6.753542779465762 (0.00848653% change) large trace change predicted (0.0199723%) linmin: converged after 3 iterations. iteration 17: trace = 6.752183335844688 (0.0201314% change) linmin: converged after 4 iterations. iteration 18: trace = 6.752084991574542 (0.00145649% change) large trace change predicted (0.0158811%) linmin: converged after 4 iterations. iteration 19: trace = 6.751015956392777 (0.0158339% change) linmin: converged after 4 iterations. iteration 20: trace = 6.750877686058918 (0.00204816% change) large trace change predicted (0.0154243%) linmin: converged after 3 iterations. iteration 21: trace = 6.749833216418178 (0.0154728% change) linmin: converged after 4 iterations. iteration 22: trace = 6.749728282010169 (0.00155463% change) large trace change predicted (0.0115024%) linmin: converged after 4 iterations. iteration 23: trace = 6.748952036441013 (0.0115011% change) linmin: converged after 4 iterations. iteration 24: trace = 6.748764551424209 (0.00277803% change) linmin: converged after 3 iterations. iteration 25: trace = 6.748476017419485 (0.00427545% change) linmin: converged after 4 iterations. iteration 26: trace = 6.748262776589692 (0.00315989% change) linmin: converged after 3 iterations. iteration 27: trace = 6.748165146398375 (0.00144676% change) large trace change predicted (0.00385788%) linmin: converged after 4 iterations. iteration 28: trace = 6.747905822884305 (0.00384295% change) linmin: converged after 3 iterations. iteration 29: trace = 6.747846612381974 (0.000877469% change) large trace change predicted (0.00317745%) linmin: converged after 4 iterations. iteration 30: trace = 6.747632836969705 (0.0031681% change) linmin: converged after 4 iterations. iteration 31: trace = 6.747606394525548 (0.000391878% change) large trace change predicted (0.00306597%) linmin: converged after 4 iterations. iteration 32: trace = 6.747399953171819 (0.00305952% change) linmin: converged after 4 iterations. iteration 33: trace = 6.747387722078511 (0.000181271% change) large trace change predicted (0.00242336%) linmin: converged after 4 iterations. iteration 34: trace = 6.747225018833506 (0.00241138% change) linmin: converged after 3 iterations. iteration 35: trace = 6.747193960227815 (0.000460318% change) large trace change predicted (0.00107856%) linmin: converged after 4 iterations. iteration 36: trace = 6.747121438334209 (0.00107485% change) linmin: converged after 3 iterations. iteration 37: trace = 6.7470997718898 (0.000321122% change) large trace change predicted (0.000751257%) linmin: converged after 4 iterations. iteration 38: trace = 6.747049150715911 (0.000750268% change) linmin: converged after 3 iterations. iteration 39: trace = 6.747008136779598 (0.000607881% change) linmin: converged after 4 iterations. iteration 40: trace = 6.746998870293799 (0.000137342% change) large trace change predicted (0.000631497%) linmin: converged after 3 iterations. iteration 41: trace = 6.746956262489844 (0.000631509% change) linmin: converged after 6 iterations. iteration 42: trace = 6.746953504893698 (4.08717e-05% change) large trace change predicted (0.000481256%) linmin: converged after 3 iterations. iteration 43: trace = 6.746921047716273 (0.000481065% change) linmin: converged after 4 iterations. iteration 44: trace = 6.746917366333847 (5.45639e-05% change) large trace change predicted (0.0002699%) linmin: converged after 5 iterations. iteration 45: trace = 6.746899160425827 (0.000269841% change) linmin: converged after 4 iterations. iteration 46: trace = 6.746895008381835 (6.15401e-05% change) large trace change predicted (0.00019307%) linmin: converged after 3 iterations. iteration 47: trace = 6.746881974266559 (0.000193187% change) linmin: converged after 4 iterations. iteration 48: trace = 6.746874481438184 (0.000111056% change) linmin: converged after 3 iterations. iteration 49: trace = 6.746868146557246 (9.38936e-05% change) linmin: converged after 4 iterations. iteration 50: trace = 6.746857504420103 (0.000157735% change) linmin: converged after 3 iterations. iteration 51: trace = 6.746855516675071 (2.94618e-05% change) large trace change predicted (0.000214718%) linmin: converged after 6 iterations. iteration 52: trace = 6.746841037554336 (0.000214606% change) linmin: converged after 4 iterations. iteration 53: trace = 6.746840193062241 (1.25169e-05% change) large trace change predicted (9.3173e-05%) linmin: converged after 3 iterations. iteration 54: trace = 6.746833909627384 (9.31316e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.746833185015451 (1.074e-05% change) large trace change predicted (5.96415e-05%) linmin: converged after 3 iterations. iteration 56: trace = 6.746829162576902 (5.96197e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.746828725834517 (6.4733e-06% change) large trace change predicted (2.46714e-05%) linmin: converged after 5 iterations. iteration 58: trace = 6.74682706211512 (2.46593e-05% change) linmin: converged after 5 iterations. iteration 59: trace = 6.746825889499674 (1.73803e-05% change) linmin: converged after 4 iterations. iteration 60: trace = 6.746825452545512 (6.47644e-06% change) large trace change predicted (2.95798e-05%) linmin: converged after 3 iterations. iteration 61: trace = 6.746823456681524 (2.95823e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 6.746823127211622 (4.88333e-06% change) large trace change predicted (2.68474e-05%) linmin: converged after 5 iterations. iteration 63: trace = 6.746821315951441 (2.68461e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 6.74682118432021 (1.95101e-06% change) large trace change predicted (1.52566e-05%) linmin: converged after 4 iterations. iteration 65: trace = 6.746820154908292 (1.52577e-05% change) linmin: converged after 7 iterations. iteration 66: trace = 6.746820081622887 (1.08622e-06% change) large trace change predicted (7.08718e-06%) linmin: converged after 3 iterations. iteration 67: trace = 6.746819603431781 (7.08765e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 6.746819452732547 (2.23363e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 6.74681925723311 (2.89765e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.746819149107638 (1.60261e-06% change) linmin: converged after 3 iterations. iteration 71: trace = 6.746819008753461 (2.0803e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 6.746818910253522 (1.45995e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.746818745187227 (2.44658e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.746818616830524 (1.90248e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.746818399211371 (3.22551e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 6.74681828538086 (1.68717e-06% change) linmin: converged after 2 iterations. iteration 77: trace = 6.746818109865201 (2.60146e-06% change) linmin: converged after 20 iterations. iteration 78: trace = 6.746818071152347 (5.73794e-07% change) large trace change predicted (1.5422e-06%) linmin: converged after 4 iterations. iteration 79: trace = 6.746817967105337 (1.54216e-06% change) linmin: converged after 8 iterations. iteration 80: trace = 6.746817914381793 (7.81458e-07% change) linmin: converged after 9 iterations. iteration 81: trace = 6.746817907083527 (1.08173e-07% change) large trace change predicted (1.24553e-06%) linmin: converged after 2 iterations. iteration 82: trace = 6.74681782304615 (1.24559e-06% change) linmin: converged after 13 iterations. iteration 83: trace = 6.74681781661431 (9.53314e-08% change) large trace change predicted (1.0668e-06%) linmin: converged after 8 iterations. iteration 84: trace = 6.746817744641013 (1.06677e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.746817736393177 (1.22248e-07% change) large trace change predicted (5.15241e-07%) linmin: converged after 3 iterations. iteration 86: trace = 6.746817701631278 (5.15234e-07% change) linmin: converged after 5 iterations. iteration 87: trace = 6.746817697536646 (6.06898e-08% change) large trace change predicted (2.33444e-07%) linmin: converged after 4 iterations. iteration 88: trace = 6.746817681786828 (2.33441e-07% change) linmin: converged after 5 iterations. iteration 89: trace = 6.746817679575117 (3.27815e-08% change) large trace change predicted (2.03086e-07%) linmin: converged after 3 iterations. iteration 90: trace = 6.746817665873402 (2.03084e-07% change) linmin: converged after 21 iterations. iteration 91: trace = 6.746817664988518 (1.31156e-08% change) large trace change predicted (1.38685e-07%) linmin: converged after 7 iterations. iteration 92: trace = 6.746817655631772 (1.38684e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 6.746817654085186 (2.29232e-08% change) large trace change predicted (1.18599e-07%) linmin: converged after 8 iterations. iteration 94: trace = 6.746817646083493 (1.186e-07% change) linmin: converged after 13 iterations. iteration 95: trace = 6.746817640462645 (8.33111e-08% change) linmin: converged after 7 iterations. iteration 96: trace = 6.746817637625213 (4.20559e-08% change) linmin: converged after 4 iterations. iteration 97: trace = 6.74681763331078 (6.39477e-08% change) linmin: converged after 5 iterations. iteration 98: trace = 6.746817629968001 (4.9546e-08% change) linmin: converged after 11 iterations. iteration 99: trace = 6.7468176261558 (5.65037e-08% change) linmin: converged after 7 iterations. iteration 100: trace = 6.746817625992414 (2.42167e-09% change) large trace change predicted (2.59342e-08%) linmin: converged after 11 iterations. iteration 101: trace = 6.746817624242672 (2.59343e-08% change) linmin: converged after 20 iterations. iteration 102: trace = 6.746817624100168 (2.11216e-09% change) large trace change predicted (1.59034e-08%) linmin: converged after 4 iterations. iteration 103: trace = 6.746817623027193 (1.59034e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.74681762290797 (1.7671e-09% change) large trace change predicted (1.6433e-08%) linmin: converged after 19 iterations. iteration 105: trace = 6.746817621799271 (1.64329e-08% change) linmin: converged after 33 iterations. iteration 106: trace = 6.74681762171291 (1.28003e-09% change) large trace change predicted (1.75521e-08%) linmin: converged after 4 iterations. iteration 107: trace = 6.746817620528712 (1.75519e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.74681762045374 (1.11122e-09% change) large trace change predicted (1.18806e-08%) linmin: converged after 22 iterations. iteration 109: trace = 6.746817619652177 (1.18806e-08% change) linmin: converged after 6 iterations. iteration 110: trace = 6.746817619405686 (3.65344e-09% change) linmin: converged after 3 iterations. iteration 111: trace = 6.746817619222378 (2.71695e-09% change) linmin: converged after 22 iterations. iteration 112: trace = 6.746817619074591 (2.19048e-09% change) linmin: converged after 2 iterations. iteration 113: trace = 6.746817619026851 (7.07587e-10% change) large trace change predicted (3.27373e-09%) linmin: converged after 4 iterations. iteration 114: trace = 6.746817618805972 (3.27383e-09% change) linmin: converged after 4 iterations. iteration 115: trace = 6.746817618788889 (2.53204e-10% change) large trace change predicted (2.65445e-09%) linmin: converged after 4 iterations. iteration 116: trace = 6.746817618609805 (2.65434e-09% change) linmin: converged after 18 iterations. iteration 117: trace = 6.746817618591581 (2.7012e-10% change) large trace change predicted (1.0326e-09%) linmin: converged after 12 iterations. iteration 118: trace = 6.746817618521913 (1.0326e-09% change) linmin: converged after 10 iterations. iteration 119: trace = 6.746817618511382 (1.5609e-10% change) large trace change predicted (1.35052e-09%) linmin: converged after 2 iterations. iteration 120: trace = 6.746817618420272 (1.3504e-09% change) linmin: converged after 18 iterations. iteration 121: trace = 6.746817618406766 (2.00191e-10% change) large trace change predicted (1.7203e-09%) linmin: converged after 10 iterations. iteration 122: trace = 6.746817618290709 (1.72017e-09% change) linmin: converged after 11 iterations. iteration 123: trace = 6.746817618281478 (1.36831e-10% change) large trace change predicted (1.19037e-09%) linmin: converged after 4 iterations. iteration 124: trace = 6.74681761820117 (1.1903e-09% change) linmin: converged after 16 iterations. iteration 125: trace = 6.746817618186881 (2.11789e-10% change) linmin: converged after 15 iterations. iteration 126: trace = 6.74681761816829 (2.75557e-10% change) linmin: converged after 11 iterations. iteration 127: trace = 6.746817618151576 (2.47728e-10% change) linmin: converged after 6 iterations. iteration 128: trace = 6.746817618140278 (1.67464e-10% change) linmin: converged after 13 iterations. iteration 129: trace = 6.746817618132886 (1.09554e-10% change) linmin: converged after 3 iterations. iteration 130: trace = 6.746817618121986 (1.61567e-10% change) linmin: converged after 2 iterations. iteration 131: trace = 6.746817618106294 (2.32576e-10% change) linmin: converged after 5 iterations. iteration 132: trace = 6.746817618105011 (1.90226e-11% change) Finished solving for bands 1 to 8 after 132 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 elapsed time for k point: 0.8033432960510254 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925814500596418 (0.213094% change) linmin: converged after 5 iterations. iteration 2: trace = 6.912656408360107 (0.190167% change) linmin: converged after 3 iterations. iteration 3: trace = 6.904258247585227 (0.121563% change) linmin: converged after 5 iterations. iteration 4: trace = 6.896682475678196 (0.109786% change) linmin: converged after 3 iterations. iteration 5: trace = 6.893477598605052 (0.0464806% change) linmin: converged after 4 iterations. iteration 6: trace = 6.89027467957257 (0.0464738% change) linmin: converged after 4 iterations. iteration 7: trace = 6.887461836997099 (0.0408317% change) linmin: converged after 4 iterations. iteration 8: trace = 6.882497275426465 (0.0721071% change) linmin: converged after 4 iterations. iteration 9: trace = 6.879290874293486 (0.0465986% change) linmin: converged after 4 iterations. iteration 10: trace = 6.875156897538091 (0.0601111% change) linmin: converged after 4 iterations. iteration 11: trace = 6.872798201194945 (0.0343134% change) linmin: converged after 3 iterations. iteration 12: trace = 6.870794994806168 (0.0291511% change) linmin: converged after 4 iterations. iteration 13: trace = 6.868395881036607 (0.0349237% change) linmin: converged after 4 iterations. iteration 14: trace = 6.86621439556751 (0.0317663% change) linmin: converged after 3 iterations. iteration 15: trace = 6.864840060452693 (0.0200179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.864049033521961 (0.0115235% change) large trace change predicted (0.0249855%) linmin: converged after 3 iterations. iteration 17: trace = 6.862313276187908 (0.0252909% change) linmin: converged after 3 iterations. iteration 18: trace = 6.860715224253143 (0.0232901% change) linmin: converged after 3 iterations. iteration 19: trace = 6.859968809484593 (0.0108801% change) linmin: converged after 3 iterations. iteration 20: trace = 6.859391947998565 (0.00840945% change) linmin: converged after 3 iterations. iteration 21: trace = 6.858827502382783 (0.00822914% change) linmin: converged after 3 iterations. iteration 22: trace = 6.858164410591376 (0.00966818% change) linmin: converged after 3 iterations. iteration 23: trace = 6.857406145261944 (0.011057% change) linmin: converged after 3 iterations. iteration 24: trace = 6.856832784686063 (0.00836154% change) linmin: converged after 3 iterations. iteration 25: trace = 6.856491556212852 (0.0049766% change) linmin: converged after 3 iterations. iteration 26: trace = 6.856252194382823 (0.00349109% change) linmin: converged after 4 iterations. iteration 27: trace = 6.856048890634965 (0.00296528% change) linmin: converged after 3 iterations. iteration 28: trace = 6.855800374166336 (0.00362484% change) linmin: converged after 3 iterations. iteration 29: trace = 6.855651394979553 (0.00217306% change) linmin: converged after 3 iterations. iteration 30: trace = 6.855512431528354 (0.00202701% change) linmin: converged after 3 iterations. iteration 31: trace = 6.855355716860478 (0.00228599% change) linmin: converged after 3 iterations. iteration 32: trace = 6.855230958647358 (0.00181988% change) linmin: converged after 3 iterations. iteration 33: trace = 6.855155357961117 (0.00110282% change) linmin: converged after 3 iterations. iteration 34: trace = 6.855094916541149 (0.000881697% change) linmin: converged after 3 iterations. iteration 35: trace = 6.85502521717437 (0.00101676% change) linmin: converged after 7 iterations. iteration 36: trace = 6.854917688010056 (0.00156863% change) linmin: converged after 3 iterations. iteration 37: trace = 6.854865488480574 (0.000761493% change) linmin: converged after 4 iterations. iteration 38: trace = 6.854810981191307 (0.000795165% change) linmin: converged after 4 iterations. iteration 39: trace = 6.854754429052387 (0.000825003% change) linmin: converged after 3 iterations. iteration 40: trace = 6.854698860222133 (0.000810664% change) linmin: converged after 4 iterations. iteration 41: trace = 6.854636654728656 (0.000907491% change) linmin: converged after 3 iterations. iteration 42: trace = 6.854585360152608 (0.000748322% change) linmin: converged after 4 iterations. iteration 43: trace = 6.854557541681724 (0.000405838% change) linmin: converged after 3 iterations. iteration 44: trace = 6.854534987637432 (0.000329038% change) linmin: converged after 3 iterations. iteration 45: trace = 6.854507849304162 (0.000395919% change) linmin: converged after 3 iterations. iteration 46: trace = 6.854474000119207 (0.000493825% change) linmin: converged after 3 iterations. iteration 47: trace = 6.854448910897645 (0.000366028% change) linmin: converged after 4 iterations. iteration 48: trace = 6.854430742783726 (0.000265056% change) linmin: converged after 4 iterations. iteration 49: trace = 6.854409551795755 (0.000309158% change) linmin: converged after 4 iterations. iteration 50: trace = 6.854386819143956 (0.000331651% change) linmin: converged after 3 iterations. iteration 51: trace = 6.854372356342974 (0.000211001% change) linmin: converged after 3 iterations. iteration 52: trace = 6.854363722046957 (0.000125968% change) linmin: converged after 3 iterations. iteration 53: trace = 6.854355940080093 (0.000113533% change) linmin: converged after 3 iterations. iteration 54: trace = 6.854348218303488 (0.000112655% change) linmin: converged after 3 iterations. iteration 55: trace = 6.85434181489553 (9.34212e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.854336867231474 (7.21829e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 6.854332981170005 (5.66949e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.854328856284635 (6.01793e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.854325493270705 (4.90641e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.854320731041433 (6.94777e-05% change) linmin: converged after 2 iterations. iteration 61: trace = 6.854317900614725 (4.12941e-05% change) linmin: converged after 4 iterations. iteration 62: trace = 6.854316466541417 (2.09222e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.854314812325643 (2.41339e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 6.854312707976328 (3.07011e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.854310570267851 (3.11878e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.854309275647925 (1.88877e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.854307864026026 (2.05947e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 6.854306225836385 (2.39001e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.854304757597444 (2.14207e-05% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.85430429181651 (6.79545e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.854303980839092 (4.53697e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 6.854303707007329 (3.99503e-06% change) linmin: converged after 4 iterations. iteration 73: trace = 6.854303306237795 (5.84698e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.854303028457227 (4.05264e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.854302857018638 (2.50118e-06% change) linmin: converged after 2 iterations. iteration 76: trace = 6.854302716414224 (2.05133e-06% change) linmin: converged after 5 iterations. iteration 77: trace = 6.854302589324328 (1.85416e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.854302422020374 (2.44086e-06% change) linmin: converged after 2 iterations. iteration 79: trace = 6.854302178650507 (3.55061e-06% change) linmin: converged after 2 iterations. iteration 80: trace = 6.854302043160593 (1.97671e-06% change) linmin: converged after 5 iterations. iteration 81: trace = 6.854301959862691 (1.21526e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 6.854301838190406 (1.77512e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.854301701143552 (1.99943e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.854301574127346 (1.85309e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.854301492731233 (1.18752e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 6.854301369172781 (1.80264e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.854301206108594 (2.37901e-06% change) linmin: converged after 8 iterations. iteration 88: trace = 6.854301115047358 (1.32853e-06% change) linmin: converged after 3 iterations. iteration 89: trace = 6.854301061403404 (7.82632e-07% change) linmin: converged after 7 iterations. iteration 90: trace = 6.854301010580798 (7.4147e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.854300954169966 (8.22999e-07% change) linmin: converged after 7 iterations. iteration 92: trace = 6.854300910079177 (6.43257e-07% change) linmin: converged after 16 iterations. iteration 93: trace = 6.854300884305875 (3.76016e-07% change) linmin: converged after 2 iterations. iteration 94: trace = 6.854300873282439 (1.60825e-07% change) linmin: converged after 19 iterations. iteration 95: trace = 6.85430086333042 (1.45194e-07% change) linmin: converged after 8 iterations. iteration 96: trace = 6.854300852297724 (1.6096e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.854300845288805 (1.02256e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 6.854300839717113 (8.12875e-08% change) linmin: converged after 2 iterations. iteration 99: trace = 6.85430083316451 (9.55984e-08% change) linmin: converged after 25 iterations. iteration 100: trace = 6.854300825010949 (1.18955e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854300821499368 (5.12318e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854300819427277 (3.02305e-08% change) linmin: converged after 10 iterations. iteration 103: trace = 6.854300816199123 (4.70968e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.854300810980634 (7.61345e-08% change) linmin: converged after 3 iterations. iteration 105: trace = 6.854300805509967 (7.98136e-08% change) linmin: converged after 2 iterations. iteration 106: trace = 6.854300800803374 (6.86663e-08% change) linmin: converged after 3 iterations. iteration 107: trace = 6.854300798635795 (3.16236e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.854300795765834 (4.1871e-08% change) large trace change predicted (8.5378e-08%) linmin: converged after 2 iterations. iteration 109: trace = 6.854300789913748 (8.53783e-08% change) linmin: converged after 3 iterations. iteration 110: trace = 6.854300784491166 (7.91121e-08% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854300782610951 (2.74312e-08% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854300781013686 (2.33031e-08% change) linmin: converged after 5 iterations. iteration 113: trace = 6.854300777960276 (4.45474e-08% change) linmin: converged after 11 iterations. iteration 114: trace = 6.854300776068537 (2.75993e-08% change) linmin: converged after 2 iterations. iteration 115: trace = 6.85430077514526 (1.347e-08% change) linmin: converged after 4 iterations. iteration 116: trace = 6.854300773914987 (1.79489e-08% change) linmin: converged after 17 iterations. iteration 117: trace = 6.854300773064537 (1.24075e-08% change) linmin: converged after 14 iterations. iteration 118: trace = 6.854300772502087 (8.2058e-09% change) linmin: converged after 21 iterations. iteration 119: trace = 6.854300772109052 (5.73414e-09% change) linmin: converged after 4 iterations. iteration 120: trace = 6.854300771873268 (3.43994e-09% change) linmin: converged after 3 iterations. iteration 121: trace = 6.854300771710194 (2.37915e-09% change) linmin: converged after 6 iterations. iteration 122: trace = 6.854300771427565 (4.12338e-09% change) linmin: converged after 4 iterations. iteration 123: trace = 6.854300771301659 (1.83688e-09% change) linmin: converged after 4 iterations. iteration 124: trace = 6.854300771230674 (1.03563e-09% change) linmin: converged after 10 iterations. iteration 125: trace = 6.854300771170164 (8.82801e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.854300771103524 (9.72237e-10% change) linmin: converged after 11 iterations. iteration 127: trace = 6.854300771047175 (8.22106e-10% change) linmin: converged after 3 iterations. iteration 128: trace = 6.854300771013627 (4.89449e-10% change) linmin: converged after 5 iterations. iteration 129: trace = 6.85430077098893 (3.60309e-10% change) linmin: converged after 7 iterations. iteration 130: trace = 6.854300770974116 (2.16126e-10% change) linmin: converged after 3 iterations. iteration 131: trace = 6.854300770966613 (1.09456e-10% change) linmin: converged after 2 iterations. iteration 132: trace = 6.854300770959935 (9.7431e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 0.6719653606414795 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037401 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4732823234872291 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290618 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818523 at Vector3<0.5, 0.5, 0.0> to 0.8037365323031586 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7017932556977584 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711523 at Vector3<0.5, 0.1, 0.0> Band 5 range: 0.9047498485810708 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007138 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.0077925606078892 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.1815403744341735 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.1224242519757037 at Vector3<0.2, 0.0, 0.0> to 1.235156767923532 at Vector3<0.3, 0.3, 0.0> Band 8 range: 1.2059728636717484 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605643 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037401) to band 2 (0.4732823234872291), 12.756230634740582% Gap from band 4 (0.8863448167711523) to band 5 (0.9047498485810708), 2.055171305677368% total elapsed time for run: 13.181404113769531 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" Outputting /tmp/meepREy4kN/test_run_te_with_mu_material-0-mu.h5... mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" ./tmp/meepREy4kN/test_run_te_with_mu_material-0: 13.19s /tmp/meepREy4kN/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013744831085205078 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 16 iterations. iteration 1: trace = 13.34219610907316 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574134645 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532084566 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674664691 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153594937 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956211726 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820096039 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110536306 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920479 (0.0351352% change) linmin: converged after 6 iterations. iteration 10: trace = 4.381187024151515 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064872483 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652773514 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327479996 (0.0364202% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477119388 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613479035 (0.000911427% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192660378 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731090828 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431190648 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977266439 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547638314 (9.82294e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986616824 (1.28271e-05% change) linmin: converged after 8 iterations. iteration 22: trace = 4.373721450686105 (1.22534e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.373721224632515 (5.16845e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 4.373721180253412 (1.01468e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520035 (1.76815e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.373721170365219 (4.92674e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530104 (1.90939e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 4.373721169259862 (6.17878e-09% change) linmin: converged after 28 iterations. iteration 29: trace = 4.373721169186911 (1.66793e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721169145532 (9.4609e-10% change) linmin: converged after 11 iterations. iteration 31: trace = 4.373721169066987 (1.79584e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966431 (2.2991e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 4.373721168940524 (5.92319e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.373721168933659 (1.56974e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.37372116892797 (1.30067e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 4.373721168920043 (1.81241e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 4.373721168904344 (3.58949e-10% change) large trace change predicted (9.95405e-10%) linmin: converged after 5 iterations. iteration 38: trace = 4.373721168860811 (9.95315e-10% change) large trace change predicted (4.53523e-09%) linmin: converged after 6 iterations. iteration 39: trace = 4.373721168662423 (4.53591e-09% change) large trace change predicted (2.07011e-08%) linmin: converged after 3 iterations. iteration 40: trace = 4.373721167757034 (2.07007e-08% change) large trace change predicted (8.12557e-08%) linmin: converged after 4 iterations. iteration 41: trace = 4.373721164203222 (8.12537e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.37372115830691 (1.34812e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721154436483 (8.84928e-08% change) linmin: converged after 11 iterations. iteration 44: trace = 4.373721151274946 (7.22848e-08% change) large trace change predicted (2.03287e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383832 (2.03285e-07% change) large trace change predicted (4.92802e-07%) linmin: converged after 6 iterations. iteration 46: trace = 4.373721120833393 (4.92725e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 4.37372107793805 (9.80752e-07% change) large trace change predicted (2.055e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988609533 (2.04239e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903699593 (1.94137e-06% change) linmin: converged after 9 iterations. iteration 50: trace = 4.373720867145784 (8.3576e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.37372085603617 (2.54008e-07% change) linmin: converged after 9 iterations. iteration 52: trace = 4.373720853582015 (5.61114e-08% change) linmin: converged after 5 iterations. iteration 53: trace = 4.373720853002698 (1.32454e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 4.373720852585022 (9.54968e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851986538 (1.36836e-08% change) linmin: converged after 8 iterations. iteration 56: trace = 4.373720851520712 (1.06506e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 4.373720851245481 (6.29284e-09% change) linmin: converged after 7 iterations. iteration 58: trace = 4.373720851095249 (3.43487e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044093 (1.16963e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.373720851034473 (2.19947e-10% change) linmin: converged after 5 iterations. iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.16282129287719727 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909575996686 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128641663713 (0.94019% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320136589965 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732191285522 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652316352 (0.028693% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414673696 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.290902808716371 (0.00325348% change) linmin: converged after 6 iterations. iteration 8: trace = 4.2908721193893 (0.000715221% change) linmin: converged after 5 iterations. iteration 9: trace = 4.29086322736101 (0.000207231% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496337257 (8.69528e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035134088 (3.40539e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.290857390244804 (1.50294e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285462815 (2.44198e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271945756 (3.1502e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.290857267538623 (1.0271e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 4.290857264553208 (6.95762e-08% change) linmin: converged after 11 iterations. iteration 17: trace = 4.290857263488306 (2.48179e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.290857263235813 (5.88445e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156709 (1.84354e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.290857263115525 (9.59807e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096176 (4.50935e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085615 (2.46136e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.07508969306945801 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007783039 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336657865 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740783887 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881259739 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170494 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621548 (0.000236877% change) linmin: converged after 20 iterations. iteration 7: trace = 4.208308119593188 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493156 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.2083079596792 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47789e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.208307958537226 (2.35728e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.208307958520758 (3.91314e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.04338550567626953 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019179923 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.15091918802987 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.15050869675084 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631781 (0.00137421% change) linmin: converged after 6 iterations. iteration 5: trace = 4.150445322388979 (0.000152712% change) linmin: converged after 4 iterations. iteration 6: trace = 4.150444374952527 (2.28273e-05% change) linmin: converged after 38 iterations. iteration 7: trace = 4.150444119567911 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145889 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167716 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934402 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836717 (2.35361e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.150444015829235 (1.8027e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.043488264083862305 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812539464 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810314 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.11975343523068 (0.0146599% change) linmin: converged after 12 iterations. iteration 4: trace = 4.119635726773534 (0.00285721% change) linmin: converged after 5 iterations. iteration 5: trace = 4.119609536145701 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815895 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308932 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539519 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763422 (4.31134e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629699 (3.24603e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622139 (1.83496e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.04332160949707031 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244646566 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107313 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166868 (0.0241823% change) linmin: converged after 4 iterations. iteration 4: trace = 4.110889360751742 (0.00728306% change) linmin: converged after 6 iterations. iteration 5: trace = 4.11080703996452 (0.00200253% change) linmin: converged after 7 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801953 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787365 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125225 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910481 (5.38765e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738061 (4.19433e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.110777242727878 (2.47714e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.04338836669921875 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254176 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388635 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449423 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.09948996603966 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533704 (3.67352e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.099489964290493 (5.93271e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.099489964275826 (3.57785e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.040293216705322266 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.08011930367582 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385525 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 4 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245483 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.07945290434498 (1.02711e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.079452897007465 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879314 (2.76545e-08% change) linmin: converged after 5 iterations. iteration 10: trace = 4.079452895806834 (1.7767e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.03711700439453125 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550774 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231338 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 5 iterations. iteration 4: trace = 4.068777004347965 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591241 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.068759282973239 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.068759276139259 (3.34843e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.068759276129624 (2.36803e-10% change) linmin: converged after 17 iterations. iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.04033160209655762 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.08041013089164 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235417 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324658 (0.00232088% change) linmin: converged after 5 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.075526949476022 (7.83823e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.075526949369352 (2.61734e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.075526949350733 (4.56846e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.04672503471374512 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043243 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815202 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549152 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589705 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664407 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982815 (0.00206873% change) linmin: converged after 5 iterations. iteration 7: trace = 4.092151257465511 (0.00014336% change) linmin: converged after 5 iterations. iteration 8: trace = 4.0921506669632 (1.44301e-05% change) linmin: converged after 29 iterations. iteration 9: trace = 4.092150601221075 (1.60654e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.09215044281785 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447509 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87883e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.092150433621977 (1.38522e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.050003767013549805 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496078681969 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161341909401 (0.908868% change) linmin: converged after 5 iterations. iteration 3: trace = 4.060628566573646 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416799578 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154678076 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139224234 (0.011194% change) linmin: converged after 11 iterations. iteration 7: trace = 4.046656969292219 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828279984 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979405 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.04665226257679 (3.4696e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 4.046652203574181 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.04665218541018 (4.48865e-07% change) linmin: converged after 23 iterations. iteration 13: trace = 4.046652183788301 (4.00795e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.046652183683065 (2.60056e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.046652183677345 (1.41348e-10% change) linmin: converged after 16 iterations. iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.05340909957885742 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770394939 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188745 (0.123031% change) linmin: converged after 7 iterations. iteration 3: trace = 4.04457112881917 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705128 (0.0011425% change) linmin: converged after 5 iterations. iteration 5: trace = 4.044514961032788 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485701 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.04451325570943 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.044513236602917 (4.94069e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.044513236418492 (4.55988e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.044513236398149 (5.02974e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.040351152420043945 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840204 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070052 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394074 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532734 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601677 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030414 (2.34771e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.113415260853634 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902214 (2.31297e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.113415259769443 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756536 (3.13778e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.04024529457092285 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668811 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052032 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311717 (0.00157809% change) linmin: converged after 5 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 33 iterations. iteration 9: trace = 4.240749647343285 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492671 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080627 (9.71629e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034733 (1.08221e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.240749642029137 (1.31968e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.0467066764831543 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690654 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122198 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936335 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127845 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382419 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369238089 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462298 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817305982 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398593 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837435 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003573 (0.00173939% change) linmin: converged after 5 iterations. iteration 12: trace = 4.373725631015397 (0.000243499% change) linmin: converged after 4 iterations. iteration 13: trace = 4.373723713248079 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.373723043717632 (1.5308e-05% change) linmin: converged after 9 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078789 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618466 (3.39437e-06% change) large trace change predicted (8.38717e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.373721914772871 (8.38749e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.373721775011068 (3.19549e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750853678 (5.5233e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706459 (1.63413e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721741956021 (4.00217e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.373721741656272 (6.8534e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.37372174151351 (3.26409e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.373721741466444 (1.0761e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 4.373721741452075 (3.28549e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 4.373721741432764 (4.41518e-10% change) large trace change predicted (8.94441e-10%) linmin: converged after 10 iterations. iteration 28: trace = 4.373721741393643 (8.94449e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 4.373721741340017 (1.22611e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.37372174131413 (5.91872e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.37372174130407 (2.29999e-10% change) large trace change predicted (8.8515e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.373721741265362 (8.85026e-10% change) large trace change predicted (1.78977e-09%) linmin: converged after 3 iterations. iteration 33: trace = 4.373721741187082 (1.78977e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 4.373721741036555 (3.44162e-09% change) large trace change predicted (3.16488e-08%) linmin: converged after 4 iterations. iteration 35: trace = 4.373721739652334 (3.16486e-08% change) large trace change predicted (1.81295e-07%) linmin: converged after 4 iterations. iteration 36: trace = 4.373721731723725 (1.81278e-07% change) large trace change predicted (7.42215e-07%) linmin: converged after 4 iterations. iteration 37: trace = 4.373721699293694 (7.41474e-07% change) large trace change predicted (1.81306e-06%) linmin: converged after 7 iterations. iteration 38: trace = 4.373721620557427 (1.80021e-06% change) large trace change predicted (3.99382e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449599707 (3.90875e-06% change) linmin: converged after 16 iterations. iteration 40: trace = 4.373721351488157 (2.24321e-06% change) linmin: converged after 9 iterations. iteration 41: trace = 4.373721289289993 (1.42209e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 4.373721192919876 (2.20339e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721122950544 (1.59977e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.37372102588002 (2.2194e-06% change) linmin: converged after 6 iterations. iteration 45: trace = 4.373720919585161 (2.43031e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 4.373720871332154 (1.10325e-06% change) linmin: converged after 10 iterations. iteration 47: trace = 4.373720860378917 (2.50433e-07% change) linmin: converged after 13 iterations. iteration 48: trace = 4.373720857832792 (5.82142e-08% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720856551008 (2.93065e-08% change) linmin: converged after 4 iterations. iteration 50: trace = 4.373720854512562 (4.66067e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.373720852662255 (4.23051e-08% change) linmin: converged after 18 iterations. iteration 52: trace = 4.373720851889837 (1.76604e-08% change) linmin: converged after 7 iterations. iteration 53: trace = 4.373720851692727 (4.50671e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644104 (1.1117e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851631798 (2.81376e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.37372085162005 (2.68603e-10% change) linmin: converged after 28 iterations. iteration 57: trace = 4.373720851604448 (3.56716e-10% change) linmin: converged after 16 iterations. iteration 58: trace = 4.373720851597927 (1.49095e-10% change) linmin: converged after 16 iterations. iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 .elapsed time for k point: 0.15748190879821777 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% total elapsed time for run: 0.9666578769683838 done /tmp/meepREy4kN/test_run_tm-0: 0.97s /tmp/meepREy4kN/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001375436782836914 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1393122673034668 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3867659568786621 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08538508415222168 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.0782773494720459 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09089493751525879 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14143705368041992 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10705137252807617 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09102916717529297 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07828354835510254 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07504487037658691 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07499551773071289 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05935931205749512 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06903958320617676 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09411787986755371 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11033463478088379 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24715280532836914 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.930971384048462 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013663768768310547 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13936734199523926 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.38861799240112305 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08571982383728027 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07923769950866699 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09201455116271973 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14267730712890625 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10729622840881348 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09107756614685059 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07871627807617188 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07518148422241211 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07503819465637207 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05931234359741211 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06895184516906738 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09409594535827637 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11017799377441406 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2466890811920166 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9366626739501953 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014154911041259766 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.13971257209777832 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3876481056213379 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08557367324829102 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07876038551330566 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.0912623405456543 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14220666885375977 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10780596733093262 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09158134460449219 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0790395736694336 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0754237174987793 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07564806938171387 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05983257293701172 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06942343711853027 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09461784362792969 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11068487167358398 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.248002290725708 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.939781665802002 done /tmp/meepREy4kN/test_set_eigenvectors-0: 5.81s /tmp/meepREy4kN/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013766288757324219 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 16.67252686302908 (193.833% change) linmin: converged after 9 iterations. iteration 2: trace = 7.425605351690049 (76.7439% change) linmin: converged after 5 iterations. iteration 3: trace = 6.413529606638005 (14.6263% change) linmin: converged after 5 iterations. iteration 4: trace = 5.997870542994756 (6.69802% change) linmin: converged after 6 iterations. iteration 5: trace = 5.79224276091566 (3.48814% change) linmin: converged after 6 iterations. iteration 6: trace = 5.704204927742786 (1.53157% change) linmin: converged after 5 iterations. iteration 7: trace = 5.662063364719285 (0.74152% change) linmin: converged after 5 iterations. iteration 8: trace = 5.645383220801679 (0.295029% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636808514863864 (0.152004% change) linmin: converged after 5 iterations. iteration 10: trace = 5.632389510950197 (0.0784262% change) linmin: converged after 4 iterations. iteration 11: trace = 5.630973803281849 (0.0251383% change) linmin: converged after 4 iterations. iteration 12: trace = 5.630304289828852 (0.0118905% change) linmin: converged after 4 iterations. iteration 13: trace = 5.629948267451506 (0.00632352% change) linmin: converged after 5 iterations. iteration 14: trace = 5.629707527279325 (0.00427616% change) linmin: converged after 4 iterations. iteration 15: trace = 5.629494146577414 (0.00379033% change) linmin: converged after 5 iterations. iteration 16: trace = 5.629334770611416 (0.00283113% change) linmin: converged after 6 iterations. iteration 17: trace = 5.629195179750856 (0.00247974% change) linmin: converged after 5 iterations. iteration 18: trace = 5.629089143354889 (0.0018837% change) linmin: converged after 5 iterations. iteration 19: trace = 5.629015210328871 (0.00131342% change) linmin: converged after 6 iterations. iteration 20: trace = 5.628955227218207 (0.00106561% change) linmin: converged after 11 iterations. iteration 21: trace = 5.628918234635336 (0.000657186% change) linmin: converged after 4 iterations. iteration 22: trace = 5.628892160266109 (0.000463223% change) linmin: converged after 4 iterations. iteration 23: trace = 5.628877918707712 (0.000253009% change) linmin: converged after 5 iterations. iteration 24: trace = 5.62887054067606 (0.000131075% change) linmin: converged after 5 iterations. iteration 25: trace = 5.628866521545895 (7.14021e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 5.628864944361903 (2.80196e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 5.628864428335529 (9.1675e-06% change) linmin: converged after 7 iterations. iteration 28: trace = 5.62886425401095 (3.09698e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 5.628864199206571 (9.73631e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 5.628864180871537 (3.25732e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 5.628864174355813 (1.15756e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 5.628864171803267 (4.53475e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.628864170678066 (1.99898e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 5.628864170196785 (8.55023e-09% change) linmin: converged after 15 iterations. iteration 35: trace = 5.628864169964668 (4.12368e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 5.628864169778796 (3.30212e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.628864169602519 (3.13167e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.62886416940592 (3.4927e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 5.628864169253106 (2.71482e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.628864169153889 (1.76264e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628864169097572 (1.00051e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.628864169061677 (6.37692e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 5.628864169036878 (4.40565e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628864169022913 (2.48093e-10% change) linmin: converged after 6 iterations. iteration 45: trace = 5.628864169016424 (1.15281e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 5.628864169013057 (5.98182e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.121734619140625 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 14 iterations. iteration 1: trace = 5.662598383811167 (0.236431% change) linmin: converged after 4 iterations. iteration 2: trace = 5.655498054240403 (0.125469% change) linmin: converged after 3 iterations. iteration 3: trace = 5.653351656918011 (0.0379596% change) linmin: converged after 3 iterations. iteration 4: trace = 5.652109656699427 (0.0219717% change) linmin: converged after 4 iterations. iteration 5: trace = 5.651455832959613 (0.0115685% change) linmin: converged after 3 iterations. iteration 6: trace = 5.650961670354926 (0.00874437% change) linmin: converged after 4 iterations. iteration 7: trace = 5.650673951221756 (0.00509164% change) linmin: converged after 3 iterations. iteration 8: trace = 5.650503338619175 (0.00301938% change) linmin: converged after 3 iterations. iteration 9: trace = 5.650430417719853 (0.00129053% change) linmin: converged after 4 iterations. iteration 10: trace = 5.650387262435861 (0.000763755% change) linmin: converged after 6 iterations. iteration 11: trace = 5.650369556589035 (0.000313357% change) linmin: converged after 5 iterations. iteration 12: trace = 5.650362805815968 (0.000119475% change) linmin: converged after 3 iterations. iteration 13: trace = 5.650360400668589 (4.25663e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.650359822550923 (1.02315e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.650359570379916 (4.46292e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.650359460721299 (1.94074e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.650359418358622 (7.49734e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 5.650359402314912 (2.83941e-07% change) linmin: converged after 38 iterations. iteration 19: trace = 5.650359397610181 (8.32643e-08% change) linmin: converged after 13 iterations. iteration 20: trace = 5.650359395697382 (3.38527e-08% change) linmin: converged after 7 iterations. iteration 21: trace = 5.650359394584283 (1.96996e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.650359393286076 (2.29757e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.650359391538196 (3.09339e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 5.650359389901621 (2.89641e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.650359388475083 (2.52469e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 5.650359386379993 (3.70789e-08% change) large trace change predicted (9.58039e-08%) linmin: converged after 5 iterations. iteration 27: trace = 5.650359380966579 (9.58065e-08% change) near maximum in trace linmin: converged after 15 iterations. iteration 28: trace = 5.650291267622267 (0.00120548% change) linmin: converged after 6 iterations. iteration 29: trace = 5.650291192580686 (1.3281e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.65029111828439 (1.31491e-06% change) linmin: converged after 6 iterations. iteration 31: trace = 5.650291044755035 (1.30134e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.650290972006891 (1.28751e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.650290900047981 (1.27354e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.650290828881055 (1.25953e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.650290758504497 (1.24554e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.650290688913006 (1.23164e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 5.650290620098408 (1.21789e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.650290552050093 (1.20433e-06% change) linmin: converged after 18 iterations. iteration 39: trace = 5.650290484755575 (1.19099e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 5.650290418200888 (1.1779e-06% change) linmin: converged after 6 iterations. iteration 41: trace = 5.650290352370963 (1.16507e-06% change) linmin: converged after 9 iterations. iteration 42: trace = 5.650290287249877 (1.15253e-06% change) linmin: converged after 13 iterations. iteration 43: trace = 5.650290222821092 (1.14027e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 5.650290159067736 (1.12832e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 5.650290095972685 (1.11667e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.650290033518802 (1.10532e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.650289971688902 (1.09428e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.650289910466009 (1.08354e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.650289849833287 (1.07309e-06% change) linmin: converged after 8 iterations. iteration 50: trace = 5.650289789774213 (1.06294e-06% change) linmin: converged after 13 iterations. iteration 51: trace = 5.650289730272561 (1.05307e-06% change) linmin: converged after 8 iterations. iteration 52: trace = 5.650289671296088 (1.04378e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 5.650289612861914 (1.03418e-06% change) linmin: converged after 8 iterations. iteration 54: trace = 5.650289554938581 (1.02514e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.650289497495159 (1.01665e-06% change) linmin: converged after 13 iterations. iteration 56: trace = 5.650289440549649 (1.00783e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 5.650289384071982 (9.99554e-07% change) linmin: converged after 5 iterations. iteration 58: trace = 5.650289328048608 (9.91513e-07% change) linmin: converged after 11 iterations. iteration 59: trace = 5.650289272466417 (9.83705e-07% change) linmin: converged after 7 iterations. iteration 60: trace = 5.650289217312721 (9.76122e-07% change) linmin: converged after 8 iterations. iteration 61: trace = 5.65028916256365 (9.68961e-07% change) linmin: converged after 13 iterations. iteration 62: trace = 5.650289108230337 (9.61602e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 5.650289054289503 (9.54656e-07% change) linmin: converged after 11 iterations. iteration 64: trace = 5.650289000730409 (9.479e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 5.650288947538981 (9.41393e-07% change) linmin: converged after 7 iterations. iteration 66: trace = 5.650288894702843 (9.35105e-07% change) linmin: converged after 11 iterations. iteration 67: trace = 5.650288842216428 (9.28916e-07% change) linmin: converged after 5 iterations. iteration 68: trace = 5.65028879007867 (9.22745e-07% change) linmin: converged after 5 iterations. iteration 69: trace = 5.650288738271742 (9.1689e-07% change) resetting CG direction... large trace change predicted (0.0219511%) linmin: converged after 4 iterations. iteration 70: trace = 5.64903032302802 (0.0222742% change) linmin: converged after 3 iterations. iteration 71: trace = 5.648291212742171 (0.0130847% change) linmin: converged after 4 iterations. iteration 72: trace = 5.647952501326173 (0.00599689% change) linmin: converged after 4 iterations. iteration 73: trace = 5.647729842650739 (0.00394237% change) linmin: converged after 4 iterations. iteration 74: trace = 5.647486194152222 (0.00431419% change) linmin: converged after 4 iterations. iteration 75: trace = 5.647157356579553 (0.00582289% change) linmin: converged after 4 iterations. iteration 76: trace = 5.646835731077392 (0.00569551% change) linmin: converged after 4 iterations. iteration 77: trace = 5.646550214966825 (0.00505634% change) linmin: converged after 4 iterations. iteration 78: trace = 5.646220512186881 (0.00583918% change) large trace change predicted (0.0119209%) linmin: converged after 4 iterations. iteration 79: trace = 5.64551507554342 (0.0124947% change) large trace change predicted (0.0250175%) linmin: converged after 4 iterations. iteration 80: trace = 5.644058656681537 (0.0258011% change) linmin: converged after 7 iterations. iteration 81: trace = 5.642273131390932 (0.0316405% change) linmin: converged after 5 iterations. iteration 82: trace = 5.640697904059197 (0.0279222% change) linmin: converged after 7 iterations. iteration 83: trace = 5.63984485797904 (0.0151242% change) linmin: converged after 4 iterations. iteration 84: trace = 5.639288313336282 (0.00986857% change) linmin: converged after 4 iterations. iteration 85: trace = 5.638902602410139 (0.00683994% change) linmin: converged after 3 iterations. iteration 86: trace = 5.638726948718296 (0.00311508% change) linmin: converged after 3 iterations. iteration 87: trace = 5.638638858011665 (0.00156226% change) linmin: converged after 3 iterations. iteration 88: trace = 5.638595369382163 (0.000771264% change) linmin: converged after 3 iterations. iteration 89: trace = 5.638570484323941 (0.000441335% change) linmin: converged after 3 iterations. iteration 90: trace = 5.638555861747498 (0.000259332% change) linmin: converged after 3 iterations. iteration 91: trace = 5.638546191837316 (0.000171496% change) linmin: converged after 4 iterations. iteration 92: trace = 5.638539563345949 (0.000117557% change) linmin: converged after 3 iterations. iteration 93: trace = 5.638535838298758 (6.60641e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 5.638534036457183 (3.19558e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 5.638532920712363 (1.97879e-05% change) linmin: converged after 7 iterations. iteration 96: trace = 5.638532011416613 (1.61265e-05% change) linmin: converged after 3 iterations. iteration 97: trace = 5.638531072732994 (1.66477e-05% change) linmin: converged after 6 iterations. iteration 98: trace = 5.638530025006578 (1.85816e-05% change) linmin: converged after 3 iterations. iteration 99: trace = 5.638528496977349 (2.70998e-05% change) linmin: converged after 5 iterations. iteration 100: trace = 5.638526248322741 (3.98802e-05% change) linmin: converged after 5 iterations. iteration 101: trace = 5.638523965074012 (4.04937e-05% change) linmin: converged after 5 iterations. iteration 102: trace = 5.638521697364039 (4.02182e-05% change) linmin: converged after 13 iterations. iteration 103: trace = 5.638518648988574 (5.40634e-05% change) linmin: converged after 10 iterations. iteration 104: trace = 5.638516668758926 (3.51197e-05% change) linmin: converged after 3 iterations. iteration 105: trace = 5.638515788106401 (1.56185e-05% change) linmin: converged after 3 iterations. iteration 106: trace = 5.638515475587027 (5.54258e-06% change) linmin: converged after 5 iterations. iteration 107: trace = 5.638515353510284 (2.16505e-06% change) linmin: converged after 12 iterations. iteration 108: trace = 5.638515290917348 (1.1101e-06% change) linmin: converged after 2 iterations. iteration 109: trace = 5.638515251394711 (7.0094e-07% change) linmin: converged after 17 iterations. iteration 110: trace = 5.638515230497352 (3.70618e-07% change) linmin: converged after 4 iterations. iteration 111: trace = 5.638515218975298 (2.04346e-07% change) linmin: converged after 25 iterations. iteration 112: trace = 5.638515214529265 (7.88511e-08% change) linmin: converged after 16 iterations. iteration 113: trace = 5.638515212755617 (3.1456e-08% change) linmin: converged after 4 iterations. iteration 114: trace = 5.638515211745045 (1.79227e-08% change) linmin: converged after 14 iterations. iteration 115: trace = 5.638515210945735 (1.41759e-08% change) linmin: converged after 11 iterations. iteration 116: trace = 5.638515210024359 (1.63408e-08% change) linmin: converged after 6 iterations. iteration 117: trace = 5.638515209011968 (1.79549e-08% change) linmin: converged after 3 iterations. iteration 118: trace = 5.638515207794927 (2.15844e-08% change) linmin: converged after 6 iterations. iteration 119: trace = 5.638515206516135 (2.26796e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 5.638515205038356 (2.62087e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 5.638515202931114 (3.73723e-08% change) linmin: converged after 6 iterations. iteration 122: trace = 5.638515200854903 (3.68219e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 5.638515199087083 (3.13526e-08% change) linmin: converged after 5 iterations. iteration 124: trace = 5.638515198023093 (1.887e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 5.638515197266766 (1.34136e-08% change) linmin: converged after 20 iterations. iteration 126: trace = 5.638515196709655 (9.88047e-09% change) linmin: converged after 5 iterations. iteration 127: trace = 5.638515196250812 (8.13765e-09% change) linmin: converged after 15 iterations. iteration 128: trace = 5.638515195990669 (4.61368e-09% change) linmin: converged after 7 iterations. iteration 129: trace = 5.638515195870576 (2.12987e-09% change) linmin: converged after 9 iterations. iteration 130: trace = 5.638515195810722 (1.06151e-09% change) linmin: converged after 8 iterations. iteration 131: trace = 5.638515195782563 (4.99417e-10% change) linmin: converged after 18 iterations. iteration 132: trace = 5.63851519576964 (2.29176e-10% change) linmin: converged after 3 iterations. iteration 133: trace = 5.63851519576392 (1.01459e-10% change) linmin: converged after 4 iterations. iteration 134: trace = 5.63851519575991 (7.11045e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 elapsed time for k point: 0.43048906326293945 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.610243836776812 (0.416683% change) linmin: converged after 3 iterations. iteration 2: trace = 5.599604920322789 (0.189814% change) linmin: converged after 4 iterations. iteration 3: trace = 5.596604913833221 (0.0535897% change) linmin: converged after 3 iterations. iteration 4: trace = 5.595662117729327 (0.0168473% change) linmin: converged after 3 iterations. iteration 5: trace = 5.595313265090729 (0.00623454% change) linmin: converged after 4 iterations. iteration 6: trace = 5.595227399874204 (0.0015346% change) linmin: converged after 14 iterations. iteration 7: trace = 5.59519831393708 (0.000519836% change) linmin: converged after 4 iterations. iteration 8: trace = 5.595186325956774 (0.000214255% change) linmin: converged after 3 iterations. iteration 9: trace = 5.595182011684434 (7.71069e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.595180202268774 (3.23388e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.595179604043117 (1.06918e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.595179391571373 (3.79741e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 5.595179311138063 (1.43755e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.595179285473619 (4.58688e-07% change) linmin: converged after 24 iterations. iteration 15: trace = 5.595179276623078 (1.58182e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.595179273689021 (5.2439e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.595179272904638 (1.40189e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.595179272581779 (5.77031e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.595179272336521 (4.38338e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.595179272188361 (2.648e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 5.595179272063358 (2.23411e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.595179271964549 (1.76598e-09% change) linmin: converged after 6 iterations. iteration 23: trace = 5.595179271878047 (1.546e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.595179271843309 (6.20864e-10% change) linmin: converged after 12 iterations. iteration 25: trace = 5.59517927182701 (2.91304e-10% change) linmin: converged after 18 iterations. iteration 26: trace = 5.595179271819191 (1.39739e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.595179271816558 (4.70664e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 elapsed time for k point: 0.08870077133178711 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.589278769396838 (0.288852% change) linmin: converged after 4 iterations. iteration 2: trace = 5.582217264358345 (0.12642% change) linmin: converged after 4 iterations. iteration 3: trace = 5.579630100765367 (0.0463573% change) linmin: converged after 4 iterations. iteration 4: trace = 5.578713954553674 (0.0164208% change) linmin: converged after 4 iterations. iteration 5: trace = 5.578208746315653 (0.00905641% change) linmin: converged after 4 iterations. iteration 6: trace = 5.578027303291385 (0.00325276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.577942072907685 (0.00152798% change) linmin: converged after 3 iterations. iteration 8: trace = 5.577913363825518 (0.000514691% change) linmin: converged after 3 iterations. iteration 9: trace = 5.577905893250987 (0.000133931% change) linmin: converged after 4 iterations. iteration 10: trace = 5.577903978777093 (3.43225e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.577903462384925 (9.25782e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.57790335182199 (1.98216e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.577903319845038 (5.73279e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.577903310566395 (1.66346e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.577903307418651 (5.64324e-08% change) linmin: converged after 20 iterations. iteration 16: trace = 5.577903305861661 (2.79135e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.577903305185309 (1.21256e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.577903304857375 (5.87916e-09% change) linmin: converged after 13 iterations. iteration 19: trace = 5.57790330471606 (2.53347e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.577903304686394 (5.31865e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.577903304676377 (1.79581e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.577903304673043 (5.97596e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 elapsed time for k point: 0.07223796844482422 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.607466984195186 (0.245114% change) linmin: converged after 5 iterations. iteration 2: trace = 5.600508098174442 (0.124177% change) linmin: converged after 4 iterations. iteration 3: trace = 5.597121607947972 (0.0604858% change) linmin: converged after 4 iterations. iteration 4: trace = 5.595549314424401 (0.0280951% change) linmin: converged after 4 iterations. iteration 5: trace = 5.594551452727512 (0.0178347% change) linmin: converged after 4 iterations. iteration 6: trace = 5.594215569329972 (0.00600394% change) linmin: converged after 4 iterations. iteration 7: trace = 5.594087068851766 (0.00229705% change) linmin: converged after 4 iterations. iteration 8: trace = 5.594049548640577 (0.000670714% change) linmin: converged after 3 iterations. iteration 9: trace = 5.594038609820747 (0.000195544% change) linmin: converged after 2 iterations. iteration 10: trace = 5.594035067085783 (6.33306e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.594033390558402 (2.99699e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.594032551741144 (1.49949e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.594031999184887 (9.8776e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.594031699982709 (5.3486e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 5.594031556072584 (2.57257e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.594031485788911 (1.2564e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.594031455144977 (5.47797e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.594031432706867 (4.01108e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 5.594031422730698 (1.78336e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.594031418912026 (6.82633e-08% change) linmin: converged after 15 iterations. iteration 21: trace = 5.59403141767742 (2.20701e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.594031417255707 (7.53863e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.594031417032634 (3.9877e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.594031416919611 (2.02041e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 5.594031416877138 (7.5925e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.594031416862819 (2.55973e-10% change) linmin: converged after 7 iterations. iteration 27: trace = 5.594031416858383 (7.93069e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 elapsed time for k point: 0.08826994895935059 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.658952488023719 (0.227165% change) linmin: converged after 5 iterations. iteration 2: trace = 5.651172639068033 (0.137573% change) linmin: converged after 5 iterations. iteration 3: trace = 5.64697745294418 (0.0742632% change) linmin: converged after 4 iterations. iteration 4: trace = 5.644684383770696 (0.0406153% change) linmin: converged after 4 iterations. iteration 5: trace = 5.643239756073964 (0.025596% change) linmin: converged after 4 iterations. iteration 6: trace = 5.642724507560135 (0.00913078% change) linmin: converged after 4 iterations. iteration 7: trace = 5.642475213056803 (0.00441808% change) linmin: converged after 4 iterations. iteration 8: trace = 5.642293858955272 (0.00321414% change) linmin: converged after 4 iterations. iteration 9: trace = 5.642022882947465 (0.0048027% change) large trace change predicted (0.0102229%) linmin: converged after 4 iterations. iteration 10: trace = 5.641446879082053 (0.0102097% change) linmin: converged after 5 iterations. iteration 11: trace = 5.640440099441923 (0.0178477% change) linmin: converged after 5 iterations. iteration 12: trace = 5.639322938644529 (0.0198082% change) linmin: converged after 4 iterations. iteration 13: trace = 5.638404375778331 (0.0162899% change) linmin: converged after 4 iterations. iteration 14: trace = 5.637799416718211 (0.0107298% change) linmin: converged after 3 iterations. iteration 15: trace = 5.637559421782496 (0.00425698% change) linmin: converged after 3 iterations. iteration 16: trace = 5.63747344756972 (0.00152504% change) linmin: converged after 3 iterations. iteration 17: trace = 5.637440210805517 (0.00058957% change) linmin: converged after 3 iterations. iteration 18: trace = 5.637423473771829 (0.000296891% change) linmin: converged after 3 iterations. iteration 19: trace = 5.637418827785591 (8.24133e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.637417051137828 (3.15153e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 5.637416175196377 (1.5538e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 5.637415738685664 (7.7431e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.637415488828052 (4.43213e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.63741535483237 (2.3769e-06% change) linmin: converged after 15 iterations. iteration 25: trace = 5.637415263728912 (1.61605e-06% change) linmin: converged after 35 iterations. iteration 26: trace = 5.637415208122748 (9.86377e-07% change) linmin: converged after 24 iterations. iteration 27: trace = 5.637415147804388 (1.06996e-06% change) large trace change predicted (2.89728e-06%) linmin: converged after 5 iterations. iteration 28: trace = 5.637414984466684 (2.89739e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.637414701464717 (5.02007e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.637414479206141 (3.94256e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.637414382457989 (1.71618e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.637414352167232 (5.37316e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 5.637414342883594 (1.64679e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 5.637414340072162 (4.98709e-08% change) linmin: converged after 5 iterations. iteration 35: trace = 5.637414339312542 (1.34746e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 5.63741433891448 (7.06107e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 5.637414338639296 (4.88139e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.63741433845614 (3.24893e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 5.637414338381272 (1.32806e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 5.637414338346884 (6.09989e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 5.637414338317711 (5.17491e-10% change) linmin: converged after 8 iterations. iteration 42: trace = 5.637414338273104 (7.91267e-10% change) linmin: converged after 15 iterations. iteration 43: trace = 5.63741433821137 (1.09509e-09% change) linmin: converged after 20 iterations. iteration 44: trace = 5.637414338111031 (1.77987e-09% change) linmin: converged after 5 iterations. iteration 45: trace = 5.63741433801738 (1.66125e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 5.637414337962035 (9.81746e-10% change) linmin: converged after 8 iterations. iteration 47: trace = 5.637414337944453 (3.11872e-10% change) linmin: converged after 13 iterations. iteration 48: trace = 5.637414337940057 (7.79876e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 elapsed time for k point: 0.1552107334136963 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.58845996120054 (1.62524% change) linmin: converged after 5 iterations. iteration 2: trace = 5.538961403002229 (0.889668% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527070270349131 (0.214912% change) linmin: converged after 3 iterations. iteration 4: trace = 5.522342887661988 (0.085568% change) linmin: converged after 3 iterations. iteration 5: trace = 5.520392483599115 (0.0353247% change) linmin: converged after 4 iterations. iteration 6: trace = 5.519566528529973 (0.014963% change) linmin: converged after 4 iterations. iteration 7: trace = 5.519192001279461 (0.00678568% change) linmin: converged after 4 iterations. iteration 8: trace = 5.519052775913094 (0.0025226% change) linmin: converged after 4 iterations. iteration 9: trace = 5.518995901845807 (0.00103051% change) linmin: converged after 4 iterations. iteration 10: trace = 5.518965434921136 (0.000552039% change) linmin: converged after 3 iterations. iteration 11: trace = 5.518951031752566 (0.000260976% change) linmin: converged after 5 iterations. iteration 12: trace = 5.518944394189483 (0.000120269% change) linmin: converged after 5 iterations. iteration 13: trace = 5.518942193535247 (3.98746e-05% change) linmin: converged after 15 iterations. iteration 14: trace = 5.518941629485422 (1.02203e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.51894144352032 (3.36958e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.518941398225257 (8.2072e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 5.518941383071711 (2.74573e-07% change) linmin: converged after 12 iterations. iteration 18: trace = 5.518941376509176 (1.18909e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.518941374239362 (4.11277e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.518941372978494 (2.28462e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.518941372520785 (8.29343e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.518941372298925 (4.01997e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.51894137216323 (2.45871e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.518941372061886 (1.83629e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.518941371930683 (2.37731e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 5.518941371759545 (3.10093e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.518941371614912 (2.62066e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 5.518941371516163 (1.78927e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 5.518941371440128 (1.37771e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.518941371369826 (1.27383e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 5.51894137133035 (7.15282e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 5.518941371316815 (2.45262e-10% change) linmin: converged after 18 iterations. iteration 33: trace = 5.518941371312549 (7.7296e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 elapsed time for k point: 0.10737967491149902 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.358965069231854 (0.494938% change) linmin: converged after 5 iterations. iteration 2: trace = 5.347410133100355 (0.215852% change) linmin: converged after 4 iterations. iteration 3: trace = 5.344694532958302 (0.0507964% change) linmin: converged after 4 iterations. iteration 4: trace = 5.343549261595155 (0.0214305% change) linmin: converged after 5 iterations. iteration 5: trace = 5.342917059986708 (0.0118318% change) linmin: converged after 4 iterations. iteration 6: trace = 5.342682889492325 (0.00438292% change) linmin: converged after 4 iterations. iteration 7: trace = 5.34257673377283 (0.00198696% change) linmin: converged after 4 iterations. iteration 8: trace = 5.34254020353794 (0.000683759% change) linmin: converged after 4 iterations. iteration 9: trace = 5.342529450593277 (0.00020127% change) linmin: converged after 5 iterations. iteration 10: trace = 5.342525583052339 (7.23916e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.342524762095747 (1.53665e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.342524528418492 (4.37391e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.34252447592385 (9.82581e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.342524468019509 (1.47951e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.342524466444304 (2.94843e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.342524466019545 (7.95053e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.342524465855403 (3.07236e-09% change) linmin: converged after 18 iterations. iteration 18: trace = 5.342524465750503 (1.96349e-09% change) linmin: converged after 8 iterations. iteration 19: trace = 5.342524465692871 (1.07874e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.342524465655599 (6.97639e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.342524465621588 (6.36609e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 5.342524465595665 (4.85225e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.342524465572257 (4.38144e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.342524465547465 (4.64062e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.342524465528069 (3.6305e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.342524465517736 (1.93412e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.342524465514544 (5.97325e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 elapsed time for k point: 0.08848881721496582 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.205843851365977 (0.260823% change) linmin: converged after 3 iterations. iteration 2: trace = 5.201250999979981 (0.0882639% change) linmin: converged after 4 iterations. iteration 3: trace = 5.200149842129167 (0.0211733% change) linmin: converged after 4 iterations. iteration 4: trace = 5.199802675803611 (0.00667631% change) linmin: converged after 4 iterations. iteration 5: trace = 5.199636452166119 (0.00319678% change) linmin: converged after 11 iterations. iteration 6: trace = 5.199588777496309 (0.000916889% change) linmin: converged after 3 iterations. iteration 7: trace = 5.199568860655153 (0.000383047% change) linmin: converged after 4 iterations. iteration 8: trace = 5.199559960602095 (0.000171169% change) linmin: converged after 4 iterations. iteration 9: trace = 5.199557315513331 (5.08714e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.199556443338575 (1.6774e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.199556282069325 (3.1016e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.199556247771246 (6.59635e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.199556240158948 (1.46403e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.199556238716337 (2.77449e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.199556238427382 (5.55729e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.199556238339889 (1.6827e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.199556238303392 (7.01926e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.199556238269373 (6.54268e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.199556238207714 (1.18585e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.199556238136205 (1.37529e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.19955623808818 (9.23648e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.199556238072939 (2.93124e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.199556238067979 (9.53848e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 elapsed time for k point: 0.0755760669708252 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.113888636560835 (0.193819% change) linmin: converged after 3 iterations. iteration 2: trace = 5.111058653692732 (0.0553545% change) linmin: converged after 4 iterations. iteration 3: trace = 5.110360041817678 (0.0136696% change) linmin: converged after 4 iterations. iteration 4: trace = 5.110178387935674 (0.00355468% change) linmin: converged after 3 iterations. iteration 5: trace = 5.110110328941208 (0.00133184% change) linmin: converged after 3 iterations. iteration 6: trace = 5.110094373675731 (0.00031223% change) linmin: converged after 3 iterations. iteration 7: trace = 5.110090048386217 (8.46421e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.110087943959183 (4.11818e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.110087209667761 (1.43694e-05% change) linmin: converged after 22 iterations. iteration 10: trace = 5.110086882135968 (6.40951e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.110086801162778 (1.58458e-06% change) linmin: converged after 12 iterations. iteration 12: trace = 5.110086778559403 (4.42329e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.110086772372885 (1.21065e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.110086770914102 (2.85471e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.110086770602329 (6.10113e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.110086770517023 (1.66936e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.110086770480933 (7.06255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.1100867704383 (8.343e-10% change) large trace change predicted (2.1347e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.110086770329221 (2.13458e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.110086770238314 (1.77897e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.110086770200718 (7.35716e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.110086770192777 (1.55403e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.110086770190959 (3.55787e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 elapsed time for k point: 0.07587027549743652 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.08296873445709 (0.170848% change) linmin: converged after 4 iterations. iteration 2: trace = 5.080632009848869 (0.0459822% change) linmin: converged after 4 iterations. iteration 3: trace = 5.080034162833817 (0.0117679% change) linmin: converged after 4 iterations. iteration 4: trace = 5.079889067208426 (0.00285623% change) linmin: converged after 4 iterations. iteration 5: trace = 5.079840786284366 (0.000950437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.079830362273212 (0.000205204% change) linmin: converged after 2 iterations. iteration 7: trace = 5.079828547056509 (3.57338e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.079827969475189 (1.13701e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 5.079827856733455 (2.2194e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 5.079827805883459 (1.00102e-06% change) linmin: converged after 6 iterations. iteration 11: trace = 5.079827785437719 (4.02489e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 5.0798277757082 (1.91532e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.079827771842986 (7.60895e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 5.079827770756292 (2.13923e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.07982777053307 (4.39427e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.07982777046622 (1.31598e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.079827770421266 (8.84956e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 5.079827770346474 (1.47235e-09% change) large trace change predicted (3.34423e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.079827770176589 (3.3443e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.079827770098357 (1.54006e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.079827770077138 (4.17703e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.079827770073004 (8.13725e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 elapsed time for k point: 0.07216763496398926 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.146430386813067 (0.331875% change) linmin: converged after 4 iterations. iteration 2: trace = 5.14163854363848 (0.0931534% change) linmin: converged after 4 iterations. iteration 3: trace = 5.14033682432069 (0.0253204% change) linmin: converged after 4 iterations. iteration 4: trace = 5.139958644400264 (0.00735737% change) linmin: converged after 4 iterations. iteration 5: trace = 5.139823079442868 (0.00263751% change) linmin: converged after 5 iterations. iteration 6: trace = 5.139792533516841 (0.000594301% change) linmin: converged after 4 iterations. iteration 7: trace = 5.139787176704381 (0.000104222% change) linmin: converged after 4 iterations. iteration 8: trace = 5.139785473947313 (3.31289e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.139785114467225 (6.99407e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 5.139784968056226 (2.84858e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.139784924164505 (8.5396e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.139784914516126 (1.8772e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.139784912150693 (4.6022e-08% change) linmin: converged after 23 iterations. iteration 14: trace = 5.139784911632526 (1.00815e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.139784911523805 (2.11528e-09% change) linmin: converged after 10 iterations. iteration 16: trace = 5.139784911497796 (5.06041e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 5.139784911491649 (1.19598e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.139784911490271 (2.6802e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 elapsed time for k point: 0.0594792366027832 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.321113856603153 (0.391941% change) linmin: converged after 5 iterations. iteration 2: trace = 5.31273543459494 (0.15758% change) linmin: converged after 4 iterations. iteration 3: trace = 5.309860483627236 (0.054129% change) linmin: converged after 4 iterations. iteration 4: trace = 5.30865460253759 (0.0227128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.30811010417094 (0.0102573% change) linmin: converged after 4 iterations. iteration 6: trace = 5.307980354200669 (0.0024444% change) linmin: converged after 4 iterations. iteration 7: trace = 5.30794615774418 (0.000644248% change) linmin: converged after 4 iterations. iteration 8: trace = 5.307931944059662 (0.000267782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.30792741003905 (8.54198e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 5.30792522016629 (4.12567e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.30792450832233 (1.3411e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.307924276765975 (4.36247e-06% change) linmin: converged after 11 iterations. iteration 13: trace = 5.307924196866908 (1.50528e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.307924180430647 (3.09655e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.307924176022226 (8.30536e-08% change) linmin: converged after 13 iterations. iteration 16: trace = 5.307924174763156 (2.37206e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.307924174428118 (6.31203e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.307924174351104 (1.45092e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.307924174333357 (3.3436e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.3079241743296 (7.07641e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 elapsed time for k point: 0.06619524955749512 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.565278284532583 (0.649197% change) linmin: converged after 5 iterations. iteration 2: trace = 5.539308670153495 (0.467728% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527740928004517 (0.209048% change) linmin: converged after 4 iterations. iteration 4: trace = 5.52119231461106 (0.118538% change) linmin: converged after 4 iterations. iteration 5: trace = 5.517705504983867 (0.0631731% change) linmin: converged after 4 iterations. iteration 6: trace = 5.516689861468588 (0.0184087% change) linmin: converged after 4 iterations. iteration 7: trace = 5.516225756129595 (0.0084131% change) linmin: converged after 3 iterations. iteration 8: trace = 5.515968278409327 (0.00466775% change) linmin: converged after 4 iterations. iteration 9: trace = 5.515821918920194 (0.00265341% change) linmin: converged after 7 iterations. iteration 10: trace = 5.515731715125206 (0.00163538% change) linmin: converged after 3 iterations. iteration 11: trace = 5.515703319343586 (0.000514816% change) linmin: converged after 3 iterations. iteration 12: trace = 5.515694777907218 (0.000154857% change) linmin: converged after 4 iterations. iteration 13: trace = 5.51569198306254 (5.06708e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.515691259672617 (1.31151e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.515690942868781 (5.74368e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.51569084558965 (1.76368e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.515690808935376 (6.64545e-07% change) linmin: converged after 29 iterations. iteration 18: trace = 5.51569079095453 (3.25994e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.51569078272834 (1.49142e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.515690779523196 (5.81096e-08% change) linmin: converged after 8 iterations. iteration 21: trace = 5.515690778440378 (1.96316e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.515690778101877 (6.13705e-09% change) linmin: converged after 20 iterations. iteration 23: trace = 5.515690777997043 (1.90066e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.51569077796538 (5.74047e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.515690777958354 (1.27389e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.515690777956149 (3.99832e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 elapsed time for k point: 0.08507347106933594 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.699370390343353 (1.24468% change) linmin: converged after 5 iterations. iteration 2: trace = 5.647627271005885 (0.912014% change) linmin: converged after 9 iterations. iteration 3: trace = 5.63252208373286 (0.267819% change) linmin: converged after 4 iterations. iteration 4: trace = 5.62552951882026 (0.124223% change) linmin: converged after 4 iterations. iteration 5: trace = 5.622573009119122 (0.052569% change) linmin: converged after 3 iterations. iteration 6: trace = 5.621751214744261 (0.0146171% change) linmin: converged after 3 iterations. iteration 7: trace = 5.621415490821263 (0.00597205% change) linmin: converged after 9 iterations. iteration 8: trace = 5.621208187043257 (0.00368782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.621026602496656 (0.0032304% change) linmin: converged after 4 iterations. iteration 10: trace = 5.620814125083641 (0.00378012% change) linmin: converged after 3 iterations. iteration 11: trace = 5.620629887436438 (0.00327783% change) linmin: converged after 7 iterations. iteration 12: trace = 5.620459427784636 (0.0030328% change) linmin: converged after 3 iterations. iteration 13: trace = 5.620367874577292 (0.00162894% change) linmin: converged after 3 iterations. iteration 14: trace = 5.620331402042908 (0.000648937% change) linmin: converged after 3 iterations. iteration 15: trace = 5.620316079252684 (0.000272632% change) linmin: converged after 4 iterations. iteration 16: trace = 5.62031103997582 (8.96618e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 5.620309265165606 (3.15785e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.620308520932279 (1.32419e-05% change) linmin: converged after 7 iterations. iteration 19: trace = 5.620308198035805 (5.74517e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.620308061374724 (2.43156e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.620308008166845 (9.46708e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.620307991491019 (2.96707e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.620307984134831 (1.30886e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.620307981734177 (4.27139e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 5.620307979992978 (3.09805e-08% change) linmin: converged after 8 iterations. iteration 26: trace = 5.620307977675802 (4.12286e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 5.62030797474326 (5.21776e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.620307972553187 (3.89671e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 5.620307971583566 (1.72521e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 5.620307971162819 (7.48619e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 5.6203079709569 (3.66384e-09% change) linmin: converged after 9 iterations. iteration 32: trace = 5.620307970850902 (1.88598e-09% change) linmin: converged after 10 iterations. iteration 33: trace = 5.620307970806838 (7.84019e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.620307970792952 (2.47064e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 5.620307970788173 (8.50361e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 elapsed time for k point: 0.11376810073852539 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.721397683446691 (0.88116% change) linmin: converged after 5 iterations. iteration 2: trace = 5.690132175108849 (0.547963% change) linmin: converged after 5 iterations. iteration 3: trace = 5.679949561600693 (0.179112% change) linmin: converged after 5 iterations. iteration 4: trace = 5.674005700180744 (0.104701% change) linmin: converged after 5 iterations. iteration 5: trace = 5.670491569909078 (0.061953% change) linmin: converged after 4 iterations. iteration 6: trace = 5.668987199256972 (0.0265333% change) linmin: converged after 4 iterations. iteration 7: trace = 5.668194726503535 (0.0139801% change) linmin: converged after 4 iterations. iteration 8: trace = 5.667868425634297 (0.00575686% change) linmin: converged after 4 iterations. iteration 9: trace = 5.667594186191996 (0.00483861% change) linmin: converged after 5 iterations. iteration 10: trace = 5.667311953686994 (0.00497988% change) large trace change predicted (0.0130659%) linmin: converged after 4 iterations. iteration 11: trace = 5.666577477888356 (0.0129607% change) large trace change predicted (0.253568%) linmin: converged after 10 iterations. iteration 12: trace = 5.662184718098482 (0.0775506% change) linmin: converged after 5 iterations. iteration 13: trace = 5.659157953576945 (0.0534701% change) linmin: converged after 5 iterations. iteration 14: trace = 5.656543771166633 (0.0462045% change) linmin: converged after 5 iterations. iteration 15: trace = 5.653314443339882 (0.0571064% change) linmin: converged after 6 iterations. iteration 16: trace = 5.648626313306814 (0.0829615% change) linmin: converged after 5 iterations. iteration 17: trace = 5.643821363234167 (0.0851002% change) linmin: converged after 6 iterations. iteration 18: trace = 5.638869397509292 (0.0877799% change) linmin: converged after 6 iterations. iteration 19: trace = 5.635889317433015 (0.0528629% change) linmin: converged after 7 iterations. iteration 20: trace = 5.63393489491962 (0.0346842% change) linmin: converged after 4 iterations. iteration 21: trace = 5.632971468037331 (0.0171019% change) linmin: converged after 4 iterations. iteration 22: trace = 5.632161076469179 (0.0143876% change) linmin: converged after 4 iterations. iteration 23: trace = 5.63151624016928 (0.0114498% change) linmin: converged after 4 iterations. iteration 24: trace = 5.630961940296936 (0.0098433% change) linmin: converged after 4 iterations. iteration 25: trace = 5.630499098024456 (0.00821993% change) linmin: converged after 4 iterations. iteration 26: trace = 5.630122619588494 (0.00668664% change) linmin: converged after 3 iterations. iteration 27: trace = 5.629867621832449 (0.00452927% change) linmin: converged after 3 iterations. iteration 28: trace = 5.629720051203279 (0.00262124% change) linmin: converged after 3 iterations. iteration 29: trace = 5.62960577704948 (0.00202986% change) linmin: converged after 3 iterations. iteration 30: trace = 5.629504361168565 (0.00180149% change) linmin: converged after 3 iterations. iteration 31: trace = 5.629394147451477 (0.00195781% change) linmin: converged after 4 iterations. iteration 32: trace = 5.629290226392969 (0.00184606% change) linmin: converged after 4 iterations. iteration 33: trace = 5.629198024981242 (0.0016379% change) linmin: converged after 3 iterations. iteration 34: trace = 5.629133733956371 (0.00114211% change) linmin: converged after 3 iterations. iteration 35: trace = 5.629086222964411 (0.000844023% change) linmin: converged after 3 iterations. iteration 36: trace = 5.629045867564224 (0.000716911% change) linmin: converged after 3 iterations. iteration 37: trace = 5.629010408054762 (0.00062994% change) linmin: converged after 3 iterations. iteration 38: trace = 5.628979004567635 (0.000557888% change) linmin: converged after 3 iterations. iteration 39: trace = 5.628952468539465 (0.000471419% change) linmin: converged after 3 iterations. iteration 40: trace = 5.62893221276024 (0.000359851% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628917703760266 (0.000257758% change) linmin: converged after 4 iterations. iteration 42: trace = 5.628904770131388 (0.000229771% change) linmin: converged after 4 iterations. iteration 43: trace = 5.628894295237322 (0.000186091% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628885548975525 (0.000155382% change) linmin: converged after 4 iterations. iteration 45: trace = 5.628880125203513 (9.63561e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 5.628876480395514 (6.47519e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 5.62887385527329 (4.66367e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 5.628871914587953 (3.44773e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 5.628870173455476 (3.09322e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 5.628868872042864 (2.31203e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 5.628867792579468 (1.91773e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 5.628867067350733 (1.28841e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 5.628866472394931 (1.05697e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 5.62886603893755 (7.70062e-06% change) linmin: converged after 2 iterations. iteration 55: trace = 5.62886573363008 (5.42396e-06% change) linmin: converged after 2 iterations. iteration 56: trace = 5.628865472838771 (4.63311e-06% change) linmin: converged after 3 iterations. iteration 57: trace = 5.628865257055425 (3.83351e-06% change) linmin: converged after 2 iterations. iteration 58: trace = 5.628865067351745 (3.37019e-06% change) linmin: converged after 3 iterations. iteration 59: trace = 5.628864923865831 (2.54911e-06% change) linmin: converged after 7 iterations. iteration 60: trace = 5.628864787389207 (2.42459e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 5.628864676742341 (1.9657e-06% change) linmin: converged after 2 iterations. iteration 62: trace = 5.628864577628915 (1.76081e-06% change) linmin: converged after 2 iterations. iteration 63: trace = 5.628864491681037 (1.52691e-06% change) linmin: converged after 3 iterations. iteration 64: trace = 5.62886442356569 (1.21011e-06% change) linmin: converged after 2 iterations. iteration 65: trace = 5.628864369045474 (9.68583e-07% change) linmin: converged after 6 iterations. iteration 66: trace = 5.628864328357649 (7.22843e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 5.628864294910065 (5.94215e-07% change) linmin: converged after 2 iterations. iteration 68: trace = 5.628864268960117 (4.61016e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 5.628864245245671 (4.21301e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 5.628864210818001 (6.11627e-07% change) linmin: converged after 2 iterations. iteration 71: trace = 5.628864185805083 (4.44369e-07% change) linmin: converged after 3 iterations. iteration 72: trace = 5.62886417649749 (1.65355e-07% change) linmin: converged after 3 iterations. iteration 73: trace = 5.62886417232996 (7.40386e-08% change) linmin: converged after 2 iterations. iteration 74: trace = 5.628864170611668 (3.05264e-08% change) linmin: converged after 3 iterations. iteration 75: trace = 5.628864170125662 (8.63417e-09% change) linmin: converged after 2 iterations. iteration 76: trace = 5.628864169899495 (4.01798e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 5.628864169746248 (2.72252e-09% change) linmin: converged after 5 iterations. iteration 78: trace = 5.628864169565651 (3.20841e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 5.628864169372569 (3.43023e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 5.628864169215252 (2.79482e-09% change) linmin: converged after 8 iterations. iteration 81: trace = 5.628864169115525 (1.7717e-09% change) linmin: converged after 3 iterations. iteration 82: trace = 5.628864169056971 (1.04025e-09% change) linmin: converged after 11 iterations. iteration 83: trace = 5.628864169025799 (5.53796e-10% change) linmin: converged after 3 iterations. iteration 84: trace = 5.628864169015145 (1.89269e-10% change) linmin: converged after 3 iterations. iteration 85: trace = 5.628864169011917 (5.73409e-11% change) Finished solving for bands 2 to 8 after 85 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.2226088047027588 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219018 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067495 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519592 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470327 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911942 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6793887413076379 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8304573822339184 at Vector3<0.3, 0.3, 0.0> to 0.924371683058559 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8957817684117539 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200458 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8957868745330794 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221035 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.097416809585407 at Vector3<0.5, 0.0, 0.0> to 1.128012764811995 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5943440245519592) to band 3 (0.5943566394470327), 0.0021224679106323554% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339184), 1.586071064729172% Gap from band 7 (1.0958021492221035) to band 8 (1.097416809585407), 0.14724114588007364% total elapsed time for run: 1.925797700881958 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013689994812011719 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.65344660078471 (194.937% change) linmin: converged after 7 iterations. iteration 2: trace = 5.609537790902672 (83.5167% change) linmin: converged after 6 iterations. iteration 3: trace = 4.870968737369703 (14.0941% change) linmin: converged after 6 iterations. iteration 4: trace = 4.592889108403792 (5.87667% change) linmin: converged after 5 iterations. iteration 5: trace = 4.517375695716687 (1.65777% change) linmin: converged after 5 iterations. iteration 6: trace = 4.501941736249235 (0.342242% change) linmin: converged after 5 iterations. iteration 7: trace = 4.497232324294318 (0.104663% change) linmin: converged after 5 iterations. iteration 8: trace = 4.494705098196539 (0.0562109% change) linmin: converged after 5 iterations. iteration 9: trace = 4.493491980362646 (0.0269936% change) linmin: converged after 3 iterations. iteration 10: trace = 4.491945491445946 (0.0344221% change) linmin: converged after 5 iterations. iteration 11: trace = 4.488917948171112 (0.0674221% change) linmin: converged after 5 iterations. iteration 12: trace = 4.485988456176244 (0.0652818% change) linmin: converged after 5 iterations. iteration 13: trace = 4.484190937558812 (0.0400777% change) linmin: converged after 3 iterations. iteration 14: trace = 4.48386913487522 (0.00717664% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483819386025643 (0.00110951% change) linmin: converged after 5 iterations. iteration 16: trace = 4.483805975020271 (0.000299098% change) linmin: converged after 5 iterations. iteration 17: trace = 4.48380114171588 (0.000107795% change) linmin: converged after 10 iterations. iteration 18: trace = 4.483800147423096 (2.21752e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.483799826914352 (7.14815e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 4.483799489839024 (7.51763e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.483798967853178 (1.16416e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.483798525218377 (9.87187e-06% change) linmin: converged after 8 iterations. iteration 23: trace = 4.483798337445188 (4.18782e-06% change) linmin: converged after 7 iterations. iteration 24: trace = 4.483798287890266 (1.1052e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 4.483798277712628 (2.26987e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.483798275623183 (4.65999e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.483798275083284 (1.20411e-08% change) linmin: converged after 18 iterations. iteration 28: trace = 4.483798274909358 (3.879e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.483798274857846 (1.14884e-09% change) linmin: converged after 10 iterations. iteration 30: trace = 4.483798274835885 (4.89788e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.4837982747952 (9.07373e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 4.483798274730355 (1.44621e-09% change) linmin: converged after 6 iterations. iteration 33: trace = 4.483798274703627 (5.96101e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 4.483798274697107 (1.45415e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.48379827469335 (8.37904e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 elapsed time for k point: 0.09333491325378418 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.47117509170385 (1.08128% change) linmin: converged after 4 iterations. iteration 2: trace = 4.432523987969934 (0.868203% change) linmin: converged after 5 iterations. iteration 3: trace = 4.413416315925295 (0.43201% change) linmin: converged after 4 iterations. iteration 4: trace = 4.404296019479978 (0.206863% change) linmin: converged after 5 iterations. iteration 5: trace = 4.401461350048561 (0.0643822% change) linmin: converged after 5 iterations. iteration 6: trace = 4.399788733721918 (0.0380086% change) linmin: converged after 5 iterations. iteration 7: trace = 4.398929457669709 (0.0195318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.398458753658963 (0.010701% change) linmin: converged after 4 iterations. iteration 9: trace = 4.398236171477376 (0.00506059% change) linmin: converged after 4 iterations. iteration 10: trace = 4.398175740996535 (0.00137398% change) linmin: converged after 5 iterations. iteration 11: trace = 4.398161708582171 (0.000319051% change) linmin: converged after 5 iterations. iteration 12: trace = 4.398157649223499 (9.22968e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.398156557280681 (2.48273e-05% change) linmin: converged after 14 iterations. iteration 14: trace = 4.398156022880001 (1.21506e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.39815575235398 (6.1509e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.398155622498218 (2.9525e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.398155576367896 (1.04886e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.398155552776307 (5.36397e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 4.398155541734073 (2.51065e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.398155536009729 (1.30153e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.398155534105945 (4.3286e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.398155533748286 (8.13204e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 4.398155533692945 (1.25827e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 4.398155533670937 (5.00396e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.398155533656857 (3.20121e-10% change) linmin: converged after 8 iterations. iteration 26: trace = 4.39815553365001 (1.55698e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.398155533647456 (5.80587e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 elapsed time for k point: 0.08823704719543457 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.319158064832369 (0.507573% change) linmin: converged after 4 iterations. iteration 2: trace = 4.315195172035457 (0.0917936% change) linmin: converged after 4 iterations. iteration 3: trace = 4.314652488861989 (0.0125769% change) linmin: converged after 4 iterations. iteration 4: trace = 4.314511296930288 (0.00327244% change) linmin: converged after 4 iterations. iteration 5: trace = 4.314475376819518 (0.000832545% change) linmin: converged after 5 iterations. iteration 6: trace = 4.314467154448444 (0.000190577% change) linmin: converged after 2 iterations. iteration 7: trace = 4.314465990301333 (2.69824e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.31446586390868 (2.92951e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.314465856457112 (1.72711e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.31446585576822 (1.5967e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.314465855720847 (1.098e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.314465855716318 (1.04989e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.31446585571558 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 elapsed time for k point: 0.04364895820617676 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.259813230869057 (0.437307% change) linmin: converged after 4 iterations. iteration 2: trace = 4.256808525762702 (0.070561% change) linmin: converged after 4 iterations. iteration 3: trace = 4.256424318461065 (0.00902612% change) linmin: converged after 4 iterations. iteration 4: trace = 4.256370493922877 (0.00126456% change) linmin: converged after 5 iterations. iteration 5: trace = 4.256364774302127 (0.000134378% change) linmin: converged after 2 iterations. iteration 6: trace = 4.256364062218789 (1.67298e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.256363946820415 (2.7112e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.256363898709568 (1.13033e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.256363889801436 (2.0929e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.256363888602306 (2.81727e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.256363888506427 (2.2526e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.256363888498841 (1.78226e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.256363888498332 (1.19568e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 elapsed time for k point: 0.043434858322143555 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.230445167891604 (0.428208% change) linmin: converged after 4 iterations. iteration 2: trace = 4.226884659314516 (0.0841994% change) linmin: converged after 4 iterations. iteration 3: trace = 4.226277772317788 (0.0143588% change) linmin: converged after 8 iterations. iteration 4: trace = 4.226142669225807 (0.00319679% change) linmin: converged after 5 iterations. iteration 5: trace = 4.226108930204354 (0.000798344% change) linmin: converged after 4 iterations. iteration 6: trace = 4.226098815419109 (0.000239341% change) linmin: converged after 4 iterations. iteration 7: trace = 4.226095681906936 (7.41467e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.226095353849791 (7.76265e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.226095326529167 (6.46474e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.226095324571847 (4.63151e-08% change) linmin: converged after 6 iterations. iteration 11: trace = 4.226095324437822 (3.17135e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.226095324430023 (1.84546e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.226095324429568 (1.07605e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 elapsed time for k point: 0.04353690147399902 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.224590436596976 (0.46166% change) linmin: converged after 5 iterations. iteration 2: trace = 4.219402634957612 (0.122876% change) linmin: converged after 4 iterations. iteration 3: trace = 4.218303323951641 (0.0260571% change) linmin: converged after 10 iterations. iteration 4: trace = 4.217912996839637 (0.00925361% change) linmin: converged after 5 iterations. iteration 5: trace = 4.217806962656632 (0.00251393% change) linmin: converged after 9 iterations. iteration 6: trace = 4.217779234764804 (0.000657403% change) linmin: converged after 4 iterations. iteration 7: trace = 4.217772706280908 (0.000154785% change) linmin: converged after 2 iterations. iteration 8: trace = 4.217772221251987 (1.14996e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.217772182111439 (9.27991e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.217772179564777 (6.03793e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.217772179377826 (4.43248e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.217772179362668 (3.59376e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.217772179355181 (1.77498e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 4.217772179352377 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 elapsed time for k point: 0.04663586616516113 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.216167442451164 (0.906425% change) linmin: converged after 5 iterations. iteration 2: trace = 4.207075518579895 (0.215877% change) linmin: converged after 4 iterations. iteration 3: trace = 4.205560118729062 (0.0360268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.20543792525936 (0.00290556% change) linmin: converged after 5 iterations. iteration 5: trace = 4.205424978514317 (0.000307858% change) linmin: converged after 29 iterations. iteration 6: trace = 4.205423872193348 (2.6307e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.205423830220985 (9.98053e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 4.205423828175205 (4.86462e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.205423828042199 (3.16274e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.205423828029007 (3.13693e-10% change) linmin: converged after 6 iterations. iteration 11: trace = 4.205423828027399 (3.82269e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 elapsed time for k point: 0.03736424446105957 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.188511643576091 (0.767217% change) linmin: converged after 5 iterations. iteration 2: trace = 4.183271740703043 (0.12518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.182635593295243 (0.0152081% change) linmin: converged after 5 iterations. iteration 4: trace = 4.182595255887836 (0.000964406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.182592616911325 (6.30943e-05% change) linmin: converged after 33 iterations. iteration 6: trace = 4.182592321790135 (7.05594e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 4.182592286855638 (8.35236e-07% change) linmin: converged after 19 iterations. iteration 8: trace = 4.182592281925398 (1.17875e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.182592281109054 (1.95177e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.182592281032474 (1.83091e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.182592281023937 (2.04112e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.182592281022643 (3.09396e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 elapsed time for k point: 0.04050588607788086 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.172248021921067 (0.635399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168646425845074 (0.0863599% change) linmin: converged after 4 iterations. iteration 3: trace = 4.16797869350233 (0.0160192% change) linmin: converged after 4 iterations. iteration 4: trace = 4.167833298187497 (0.00348845% change) linmin: converged after 4 iterations. iteration 5: trace = 4.167813086647444 (0.000484942% change) linmin: converged after 5 iterations. iteration 6: trace = 4.167811349625674 (4.16771e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.167811247608131 (2.44775e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.167811240546714 (1.69427e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.167811239437253 (2.66198e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.167811239290017 (3.53269e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.167811239280089 (2.38187e-10% change) linmin: converged after 8 iterations. iteration 12: trace = 4.167811239279438 (1.56419e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 elapsed time for k point: 0.040224313735961914 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.175020794659225 (0.559983% change) linmin: converged after 5 iterations. iteration 2: trace = 4.171453968416325 (0.085469% change) linmin: converged after 5 iterations. iteration 3: trace = 4.169838633398401 (0.038731% change) linmin: converged after 5 iterations. iteration 4: trace = 4.169126573577484 (0.0170779% change) linmin: converged after 4 iterations. iteration 5: trace = 4.169030186733768 (0.00231195% change) linmin: converged after 5 iterations. iteration 6: trace = 4.16902380410991 (0.000153096% change) linmin: converged after 5 iterations. iteration 7: trace = 4.169023362478125 (1.05932e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.169023324272549 (9.16416e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.169023320812347 (8.29979e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.169023319376684 (3.44364e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.169023318807238 (1.3659e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.169023318685015 (2.93168e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.169023318668819 (3.88483e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.169023318668043 (1.86199e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 elapsed time for k point: 0.046538352966308594 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.196748230141918 (0.499327% change) linmin: converged after 5 iterations. iteration 2: trace = 4.191391085979967 (0.127731% change) linmin: converged after 6 iterations. iteration 3: trace = 4.184065231778533 (0.174936% change) linmin: converged after 5 iterations. iteration 4: trace = 4.179418151111563 (0.111128% change) linmin: converged after 4 iterations. iteration 5: trace = 4.178708162121 (0.0169892% change) linmin: converged after 4 iterations. iteration 6: trace = 4.178675276778256 (0.000786977% change) linmin: converged after 5 iterations. iteration 7: trace = 4.178673354488494 (4.60024e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.178673127808471 (5.42469e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.178673067930245 (1.43295e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.178672983680849 (2.01618e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.178672966328831 (4.15252e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.178672965170099 (2.77297e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.178672965096586 (1.75924e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.178672965089365 (1.72803e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.178672965088623 (1.77692e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 elapsed time for k point: 0.049826860427856445 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.215590647524031 (1.05654% change) linmin: converged after 10 iterations. iteration 2: trace = 4.183207287460688 (0.771143% change) linmin: converged after 6 iterations. iteration 3: trace = 4.156607860607693 (0.63789% change) linmin: converged after 5 iterations. iteration 4: trace = 4.145125801931357 (0.276618% change) linmin: converged after 5 iterations. iteration 5: trace = 4.141661343321531 (0.083614% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141092875796296 (0.0137265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.141018445194859 (0.00179738% change) linmin: converged after 5 iterations. iteration 8: trace = 4.141013513514405 (0.000119093% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141012954787888 (1.34925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.141012717733229 (5.72456e-06% change) linmin: converged after 11 iterations. iteration 11: trace = 4.141012607970374 (2.65063e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.141012579996667 (6.75528e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.141012578178469 (4.39071e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.141012578052824 (3.03415e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.141012578041202 (2.80652e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.141012578036988 (1.01772e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.14101257803556 (3.44889e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 elapsed time for k point: 0.056206464767456055 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.147564043481693 (0.875199% change) linmin: converged after 5 iterations. iteration 2: trace = 4.142071403504552 (0.132518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.141407784545613 (0.0160227% change) linmin: converged after 14 iterations. iteration 4: trace = 4.141348425305269 (0.00143332% change) linmin: converged after 5 iterations. iteration 5: trace = 4.141332888571218 (0.000375162% change) linmin: converged after 5 iterations. iteration 6: trace = 4.141330631750844 (5.4495e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.141330428051608 (4.91869e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.141330407855833 (4.87664e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141330405897514 (4.72872e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.141330405721697 (4.24542e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.141330405701249 (4.93767e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.14133040570003 (2.94249e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 elapsed time for k point: 0.04039883613586426 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.219183998789268 (0.838948% change) linmin: converged after 5 iterations. iteration 2: trace = 4.214112239631161 (0.120279% change) linmin: converged after 4 iterations. iteration 3: trace = 4.213587255840629 (0.0124585% change) linmin: converged after 4 iterations. iteration 4: trace = 4.213533983072801 (0.00126432% change) linmin: converged after 5 iterations. iteration 5: trace = 4.213522375060026 (0.000275494% change) linmin: converged after 2 iterations. iteration 6: trace = 4.213521453044298 (2.18823e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.21352138376677 (1.64417e-06% change) linmin: converged after 29 iterations. iteration 8: trace = 4.213521376642288 (1.69086e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.213521376039916 (1.42962e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.213521375952428 (2.07635e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.213521375942169 (2.43486e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.213521375941404 (1.81492e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 elapsed time for k point: 0.040396690368652344 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.354935285252275 (0.903179% change) linmin: converged after 5 iterations. iteration 2: trace = 4.347005534771354 (0.182252% change) linmin: converged after 4 iterations. iteration 3: trace = 4.345758802079407 (0.0286844% change) linmin: converged after 4 iterations. iteration 4: trace = 4.345492824185595 (0.00612059% change) linmin: converged after 4 iterations. iteration 5: trace = 4.345439182323275 (0.00123443% change) linmin: converged after 5 iterations. iteration 6: trace = 4.345428859007479 (0.000237567% change) linmin: converged after 6 iterations. iteration 7: trace = 4.345426500208693 (5.42823e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.345426131439357 (8.48638e-06% change) linmin: converged after 17 iterations. iteration 9: trace = 4.345426090356747 (9.45422e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.345426086357088 (9.2043e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.34542608605445 (6.96454e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.345426086022092 (7.44627e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.345426086018986 (7.1497e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 elapsed time for k point: 0.043578147888183594 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.518149969222198 (1.13355% change) linmin: converged after 5 iterations. iteration 2: trace = 4.499734133170298 (0.408429% change) linmin: converged after 5 iterations. iteration 3: trace = 4.495250492449571 (0.099692% change) linmin: converged after 4 iterations. iteration 4: trace = 4.493713193153424 (0.0342041% change) linmin: converged after 4 iterations. iteration 5: trace = 4.492592218712791 (0.0249485% change) large trace change predicted (0.050791%) linmin: converged after 4 iterations. iteration 6: trace = 4.490355890858018 (0.0497905% change) linmin: converged after 5 iterations. iteration 7: trace = 4.487337847436465 (0.0672343% change) linmin: converged after 5 iterations. iteration 8: trace = 4.485431457992108 (0.0424928% change) linmin: converged after 4 iterations. iteration 9: trace = 4.484262744539711 (0.0260592% change) linmin: converged after 3 iterations. iteration 10: trace = 4.483883370910918 (0.00846047% change) linmin: converged after 3 iterations. iteration 11: trace = 4.483810183156654 (0.00163225% change) linmin: converged after 4 iterations. iteration 12: trace = 4.483801839966898 (0.000186074% change) linmin: converged after 3 iterations. iteration 13: trace = 4.483800541625655 (2.89563e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.48380018565615 (7.93901e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483799885096502 (6.70323e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 4.483799578938856 (6.82808e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.483799309165798 (6.01662e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 4.483798916289055 (8.76214e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.483798783128174 (2.96982e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.483798762624252 (4.57289e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.483798756127834 (1.44886e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.483798754611385 (3.38206e-08% change) linmin: converged after 15 iterations. iteration 23: trace = 4.483798754481978 (2.88612e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.483798754451529 (6.79079e-10% change) linmin: converged after 11 iterations. iteration 25: trace = 4.483798754422116 (6.55982e-10% change) linmin: converged after 8 iterations. iteration 26: trace = 4.483798754387671 (7.68218e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 4.483798754356928 (6.85636e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 4.483798754303908 (1.1825e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 4.48379875427857 (5.6508e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 4.483798754271722 (1.52744e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.483798754265766 (1.32817e-10% change) large trace change predicted (4.8196e-10%) linmin: converged after 6 iterations. iteration 32: trace = 4.483798754244152 (4.82062e-10% change) large trace change predicted (2.6894e-09%) linmin: converged after 2 iterations. iteration 33: trace = 4.483798754123567 (2.68934e-09% change) large trace change predicted (9.03518e-09%) linmin: converged after 5 iterations. iteration 34: trace = 4.483798753718449 (9.03516e-09% change) large trace change predicted (3.80042e-08%) linmin: converged after 3 iterations. iteration 35: trace = 4.483798752014425 (3.8004e-08% change) large trace change predicted (1.44447e-07%) linmin: converged after 5 iterations. iteration 36: trace = 4.483798745538273 (1.44434e-07% change) large trace change predicted (4.63378e-07%) linmin: converged after 6 iterations. iteration 37: trace = 4.48379872477563 (4.63059e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 4.483798696719777 (6.25716e-07% change) linmin: converged after 14 iterations. iteration 39: trace = 4.483798668072068 (6.38916e-07% change) linmin: converged after 7 iterations. iteration 40: trace = 4.483798643130926 (5.5625e-07% change) linmin: converged after 6 iterations. iteration 41: trace = 4.483798621858712 (4.74424e-07% change) large trace change predicted (1.35926e-06%) linmin: converged after 12 iterations. iteration 42: trace = 4.483798561180511 (1.35328e-06% change) large trace change predicted (5.83318e-06%) linmin: converged after 6 iterations. iteration 43: trace = 4.483798313956219 (5.51372e-06% change) linmin: converged after 7 iterations. iteration 44: trace = 4.483798101265305 (4.74354e-06% change) linmin: converged after 9 iterations. iteration 45: trace = 4.483798058281495 (9.58647e-07% change) linmin: converged after 7 iterations. iteration 46: trace = 4.483798047911615 (2.31274e-07% change) linmin: converged after 10 iterations. iteration 47: trace = 4.483798039715489 (1.82794e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.483798036699957 (6.7254e-08% change) linmin: converged after 6 iterations. iteration 49: trace = 4.483798033244328 (7.70692e-08% change) linmin: converged after 11 iterations. iteration 50: trace = 4.483798027631948 (1.2517e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.483798025313344 (5.17107e-08% change) linmin: converged after 7 iterations. iteration 52: trace = 4.483798024489732 (1.83686e-08% change) linmin: converged after 13 iterations. iteration 53: trace = 4.483798024240048 (5.56858e-09% change) linmin: converged after 2 iterations. iteration 54: trace = 4.483798024202118 (8.45947e-10% change) linmin: converged after 4 iterations. iteration 55: trace = 4.483798024192735 (2.09258e-10% change) linmin: converged after 18 iterations. iteration 56: trace = 4.483798024185385 (1.63916e-10% change) large trace change predicted (3.44338e-10%) linmin: converged after 7 iterations. iteration 57: trace = 4.483798024169943 (3.44412e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 4.483798024159209 (2.39387e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.48379802415644 (6.17633e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 .elapsed time for k point: 0.15495538711547852 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975133 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831293 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5029830978365978 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128112 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5613397939889752 at Vector3<0.0, 0.0, 0.0> to 0.7200918204564002 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7472029910480837 at Vector3<0.5, 0.0, 0.0> to 0.874359380500508 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8404509697526804 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822797 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8770118718330774 at Vector3<0.5, 0.0, 0.0> to 0.965325380898161 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8929933495598094 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093362 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965476) to band 2 (0.42065733839975133), 38.14282289547772% Gap from band 4 (0.7200918204564002) to band 5 (0.7472029910480837), 3.695395142014472% total elapsed time for run: 0.9112875461578369 done /tmp/meepREy4kN/test_sq_rods-0: 2.84s /tmp/meepREy4kN/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 1 x 64 x 64. Solving for 4 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 2, 0) (0, 0, 2) Cell volume = 4 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 0.5, -0) (0, -0, 0.5) Geometric objects: block, center = (0,0,0.5625) size (1e+20,1e+20,0.875) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,0.3,0.25) axes (1,0,0), (0,1,0), (0,0,1) Geometric object tree has depth 2 and 8 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 11 k-points Vector3<0.1, 0.0, 0.0> Vector3<0.39, 0.0, 0.0> Vector3<0.6799999999999999, 0.0, 0.0> Vector3<0.9699999999999999, 0.0, 0.0> Vector3<1.26, 0.0, 0.0> Vector3<1.55, 0.0, 0.0> Vector3<1.8399999999999999, 0.0, 0.0> Vector3<2.13, 0.0, 0.0> Vector3<2.42, 0.0, 0.0> Vector3<2.71, 0.0, 0.0> Vector3<3.0, 0.0, 0.0> elapsed time for initialization: 0.0041429996490478516 solve_kpoint (0.1,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4 Solving for bands 1 to 4... near maximum in trace linmin: converged after 15 iterations. iteration 1: trace = 0.9888324390218044 (199.208% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3275386403031393 (100.472% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2964736897935054 (9.95652% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2766924976907892 (6.90243% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2726168891851928 (1.4839% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2709568969210187 (0.61077% change) linmin: converged after 5 iterations. iteration 7: trace = 0.270421571645273 (0.197764% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2698420362472927 (0.214538% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2692566677135553 (0.217166% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2688723160972978 (0.142847% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2687479778755979 (0.046255% change) linmin: converged after 7 iterations. iteration 12: trace = 0.2687078756607025 (0.014923% change) linmin: converged after 13 iterations. iteration 13: trace = 0.2686863756597033 (0.00800157% change) linmin: converged after 4 iterations. iteration 14: trace = 0.2686684185723042 (0.00668351% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2686570148093189 (0.00424464% change) linmin: converged after 5 iterations. iteration 16: trace = 0.2686528052174897 (0.00156691% change) linmin: converged after 5 iterations. iteration 17: trace = 0.268650950503293 (0.000690378% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2686504308755131 (0.000193421% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2686501381174944 (0.000108974% change) linmin: converged after 5 iterations. iteration 20: trace = 0.2686498488710397 (0.000107667% change) linmin: converged after 4 iterations. iteration 21: trace = 0.2686495704062641 (0.000103653% change) linmin: converged after 6 iterations. iteration 22: trace = 0.2686494341955125 (5.0702e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.2686493830083235 (1.90535e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 0.2686493569010618 (9.71797e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.2686493401671162 (6.22892e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 0.2686493260250872 (5.26412e-06% change) linmin: converged after 12 iterations. iteration 27: trace = 0.2686493177549078 (3.07843e-06% change) linmin: converged after 9 iterations. iteration 28: trace = 0.2686493141307413 (1.34903e-06% change) linmin: converged after 15 iterations. iteration 29: trace = 0.2686493133317409 (2.97414e-07% change) linmin: converged after 7 iterations. iteration 30: trace = 0.2686493131406225 (7.11405e-08% change) linmin: converged after 9 iterations. iteration 31: trace = 0.2686493130940624 (1.73312e-08% change) linmin: converged after 6 iterations. iteration 32: trace = 0.268649313082798 (4.19299e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 0.2686493130763812 (2.38853e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.2686493130708934 (2.04275e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 0.2686493130667944 (1.52578e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.2686493130651829 (5.99848e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.2686493130645911 (2.20289e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.2686493130640042 (2.1847e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.2686493130635511 (1.68673e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 0.2686493130631626 (1.44579e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 0.2686493130629992 (6.0832e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 elapsed time for k point: 0.24048590660095215 zparity:, 1, 0.991845764322559, -0.9993165778921825, 0.9263952713918745, 0.734287985500236 yparity:, 1, -0.9999999941669303, 0.9999999948774843, 0.9999993171367377, -0.999990343487298 solve_kpoint (0.39,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 0.6221572131381576 (6.85988% change) linmin: converged after 4 iterations. iteration 2: trace = 0.6115306387019994 (1.72273% change) linmin: converged after 5 iterations. iteration 3: trace = 0.6092236100640738 (0.377968% change) linmin: converged after 5 iterations. iteration 4: trace = 0.6078935744602465 (0.218555% change) linmin: converged after 5 iterations. iteration 5: trace = 0.6073391521679113 (0.0912455% change) linmin: converged after 4 iterations. iteration 6: trace = 0.6070826550178682 (0.0422419% change) linmin: converged after 4 iterations. iteration 7: trace = 0.6070081174319568 (0.0122788% change) linmin: converged after 4 iterations. iteration 8: trace = 0.6069403390784771 (0.0111666% change) linmin: converged after 4 iterations. iteration 9: trace = 0.6069054512212717 (0.00574832% change) linmin: converged after 4 iterations. iteration 10: trace = 0.6068924091656944 (0.00214897% change) linmin: converged after 4 iterations. iteration 11: trace = 0.6068870095060079 (0.000889727% change) linmin: converged after 4 iterations. iteration 12: trace = 0.6068853033452281 (0.000281134% change) linmin: converged after 4 iterations. iteration 13: trace = 0.6068844690828896 (0.000137466% change) linmin: converged after 4 iterations. iteration 14: trace = 0.6068841755207711 (4.8372e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 0.6068840418585739 (2.20243e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 0.6068839789046552 (1.03733e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.6068839547900675 (3.97351e-06% change) linmin: converged after 15 iterations. iteration 18: trace = 0.6068839452457329 (1.57268e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.6068839423137347 (4.83123e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.6068839407794916 (2.52807e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.6068839400027517 (1.27988e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.6068839396340783 (6.07486e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.6068839395282147 (1.74438e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 0.6068839394969752 (5.14754e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 0.6068839394888997 (1.33064e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 0.6068839394859056 (4.93366e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 0.6068839394838392 (3.40485e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.6068839394826193 (2.01013e-10% change) linmin: converged after 8 iterations. iteration 29: trace = 0.6068839394820106 (1.00305e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 0.6068839394817216 (4.76188e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 elapsed time for k point: 0.17806363105773926 zparity:, 2, 0.8497976290527355, -0.8562083115829646, 0.613504714456493, 0.7040493643450679 yparity:, 2, -0.9999999782411549, 0.9999997901628059, 1.000005868341607, -0.9999353452610711 solve_kpoint (0.68,0,0): Solving for bands 1 to 4... linmin: converged after 6 iterations. iteration 1: trace = 1.264470565181613 (5.39004% change) linmin: converged after 6 iterations. iteration 2: trace = 1.235883601229645 (2.28663% change) linmin: converged after 5 iterations. iteration 3: trace = 1.224582577450968 (0.918608% change) linmin: converged after 5 iterations. iteration 4: trace = 1.218161286419984 (0.525744% change) linmin: converged after 5 iterations. iteration 5: trace = 1.214962361809651 (0.262948% change) linmin: converged after 4 iterations. iteration 6: trace = 1.212817357015784 (0.176705% change) linmin: converged after 5 iterations. iteration 7: trace = 1.211094436566093 (0.14216% change) linmin: converged after 5 iterations. iteration 8: trace = 1.209359468510491 (0.143359% change) linmin: converged after 4 iterations. iteration 9: trace = 1.208547294324885 (0.0671799% change) linmin: converged after 4 iterations. iteration 10: trace = 1.208042238043626 (0.0417991% change) linmin: converged after 3 iterations. iteration 11: trace = 1.207823296097657 (0.0181253% change) linmin: converged after 4 iterations. iteration 12: trace = 1.207749466955793 (0.00611276% change) linmin: converged after 4 iterations. iteration 13: trace = 1.207719818833629 (0.00245485% change) linmin: converged after 4 iterations. iteration 14: trace = 1.207710829504941 (0.000744325% change) linmin: converged after 4 iterations. iteration 15: trace = 1.207706751669003 (0.000337651% change) linmin: converged after 6 iterations. iteration 16: trace = 1.207705249394497 (0.000124391% change) linmin: converged after 4 iterations. iteration 17: trace = 1.207704786572437 (3.83224e-05% change) linmin: converged after 15 iterations. iteration 18: trace = 1.207704628833395 (1.30611e-05% change) linmin: converged after 17 iterations. iteration 19: trace = 1.207704566628019 (5.15071e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.207704535783024 (2.55402e-06% change) linmin: converged after 9 iterations. iteration 21: trace = 1.207704518965968 (1.39248e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.207704506350417 (1.04459e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.207704497493669 (7.33354e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.20770449198717 (4.55948e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.207704488731007 (2.69616e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 1.207704487630344 (9.11368e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.207704487187936 (3.66322e-08% change) linmin: converged after 19 iterations. iteration 28: trace = 1.207704487019392 (1.39558e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.207704486953282 (5.474e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 1.207704486927158 (2.16307e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 1.207704486920011 (5.91798e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.207704486917498 (2.08052e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 1.207704486916823 (5.59108e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 elapsed time for k point: 0.19578289985656738 zparity:, 3, 0.6430471097756447, -0.5132970565001864, 0.749333227902697, -0.5174581396280994 yparity:, 3, -1.0000092437102739, 0.9999867307863455, -0.9999773484878718, 0.9999739527336347 solve_kpoint (0.97,0,0): Solving for bands 1 to 4... linmin: converged after 6 iterations. iteration 1: trace = 1.937534840468752 (4.15315% change) linmin: converged after 6 iterations. iteration 2: trace = 1.902810987183435 (1.80837% change) linmin: converged after 5 iterations. iteration 3: trace = 1.89274028835154 (0.530658% change) linmin: converged after 5 iterations. iteration 4: trace = 1.888078677878067 (0.246593% change) linmin: converged after 5 iterations. iteration 5: trace = 1.885790637832564 (0.121257% change) linmin: converged after 4 iterations. iteration 6: trace = 1.884495797860613 (0.0686866% change) linmin: converged after 4 iterations. iteration 7: trace = 1.883742431334522 (0.0399851% change) linmin: converged after 4 iterations. iteration 8: trace = 1.883417285430755 (0.0172621% change) linmin: converged after 4 iterations. iteration 9: trace = 1.883289886588927 (0.00676447% change) linmin: converged after 4 iterations. iteration 10: trace = 1.883239300159769 (0.0026861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.883213276357905 (0.00138187% change) linmin: converged after 4 iterations. iteration 12: trace = 1.883202552103174 (0.000569467% change) linmin: converged after 5 iterations. iteration 13: trace = 1.883195968261392 (0.000349609% change) linmin: converged after 5 iterations. iteration 14: trace = 1.883193887272418 (0.000110503% change) linmin: converged after 4 iterations. iteration 15: trace = 1.883193169554699 (3.81117e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 1.883192877574137 (1.55045e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.88319279458978 (4.40658e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.883192759151877 (1.8818e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.883192748042752 (5.89909e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 1.883192744742938 (1.75224e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 1.883192743542448 (6.37476e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.883192743093157 (2.38579e-08% change) linmin: converged after 11 iterations. iteration 23: trace = 1.883192742911179 (9.66329e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.883192742851265 (3.18149e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.883192742827555 (1.25902e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 1.883192742817964 (5.09294e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 1.883192742814812 (1.67383e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.883192742813691 (5.95203e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 elapsed time for k point: 0.16535115242004395 zparity:, 4, 0.9505599456752065, -0.795378249423283, 0.2909593295980241, -0.2599400191523577 yparity:, 4, -0.9999756485606782, 0.9999734198098535, -0.9999951573073973, 1.000002402143964 solve_kpoint (1.26,0,0): Solving for bands 1 to 4... linmin: converged after 7 iterations. iteration 1: trace = 2.691331240743783 (1.92976% change) linmin: converged after 5 iterations. iteration 2: trace = 2.671295720214913 (0.747228% change) linmin: converged after 5 iterations. iteration 3: trace = 2.664766792343676 (0.24471% change) linmin: converged after 4 iterations. iteration 4: trace = 2.656412156555789 (0.314014% change) linmin: converged after 6 iterations. iteration 5: trace = 2.640040929367222 (0.618196% change) linmin: converged after 7 iterations. iteration 6: trace = 2.625855470542893 (0.538767% change) linmin: converged after 6 iterations. iteration 7: trace = 2.61859509533755 (0.276878% change) linmin: converged after 4 iterations. iteration 8: trace = 2.614863948572113 (0.142588% change) linmin: converged after 4 iterations. iteration 9: trace = 2.611559983025121 (0.126433% change) linmin: converged after 4 iterations. iteration 10: trace = 2.608574632724415 (0.114378% change) linmin: converged after 4 iterations. iteration 11: trace = 2.606864668769023 (0.0655732% change) linmin: converged after 3 iterations. iteration 12: trace = 2.605988524621448 (0.0336148% change) linmin: converged after 4 iterations. iteration 13: trace = 2.605290071043019 (0.0268055% change) linmin: converged after 4 iterations. iteration 14: trace = 2.604861354163475 (0.016457% change) linmin: converged after 4 iterations. iteration 15: trace = 2.604545510497537 (0.0121259% change) linmin: converged after 3 iterations. iteration 16: trace = 2.604368153526517 (0.00680975% change) linmin: converged after 3 iterations. iteration 17: trace = 2.604272749286691 (0.00366331% change) linmin: converged after 3 iterations. iteration 18: trace = 2.604204130108292 (0.0026349% change) linmin: converged after 3 iterations. iteration 19: trace = 2.604166865970903 (0.00143093% change) linmin: converged after 3 iterations. iteration 20: trace = 2.604146033707185 (0.000799962% change) linmin: converged after 3 iterations. iteration 21: trace = 2.604132293019618 (0.000527648% change) linmin: converged after 4 iterations. iteration 22: trace = 2.604120260624077 (0.000462051% change) linmin: converged after 3 iterations. iteration 23: trace = 2.604114500336466 (0.000221199% change) linmin: converged after 4 iterations. iteration 24: trace = 2.604111450417451 (0.000117119% change) linmin: converged after 5 iterations. iteration 25: trace = 2.604109427544265 (7.768e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 2.604108092320861 (5.12737e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 2.604107084206233 (3.87125e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 2.60410665152511 (1.66153e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 2.604106383464846 (1.02938e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 2.604106241639464 (5.44622e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 2.604106139753172 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 2.60410607419584 (2.51746e-06% change) linmin: converged after 12 iterations. iteration 33: trace = 2.604106025604114 (1.86597e-06% change) linmin: converged after 12 iterations. iteration 34: trace = 2.604105990411492 (1.35143e-06% change) linmin: converged after 25 iterations. iteration 35: trace = 2.60410597070486 (7.56752e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 2.604105962023718 (3.33364e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.604105957861818 (1.59821e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.604105955505369 (9.04897e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 2.604105953483433 (7.76441e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 2.604105952144455 (5.1418e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 2.604105951136531 (3.87052e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 2.604105950573186 (2.16329e-08% change) linmin: converged after 2 iterations. iteration 43: trace = 2.604105950242608 (1.26945e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 2.604105950072068 (6.54891e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 2.604105949971554 (3.8598e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 2.604105949909474 (2.38395e-09% change) linmin: converged after 11 iterations. iteration 47: trace = 2.604105949872306 (1.42729e-09% change) linmin: converged after 4 iterations. iteration 48: trace = 2.60410594984933 (8.8231e-10% change) linmin: converged after 5 iterations. iteration 49: trace = 2.604105949833435 (6.10376e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 2.604105949821812 (4.46322e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 2.604105949814575 (2.7792e-10% change) linmin: converged after 13 iterations. iteration 52: trace = 2.604105949811262 (1.27201e-10% change) linmin: converged after 5 iterations. iteration 53: trace = 2.604105949809357 (7.31762e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 elapsed time for k point: 0.30904459953308105 zparity:, 5, 0.989433203647212, -0.9410345597944496, -0.9057097520341679, 0.12590511654500938 yparity:, 5, -0.9999341958042025, 0.9999920496328631, -0.9999957145770669, 1.0000214447225875 solve_kpoint (1.55,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.266395069778824 (2.05094% change) linmin: converged after 5 iterations. iteration 2: trace = 3.232377355632402 (1.0469% change) linmin: converged after 5 iterations. iteration 3: trace = 3.204495549827901 (0.866315% change) linmin: converged after 4 iterations. iteration 4: trace = 3.187386698865646 (0.535331% change) linmin: converged after 4 iterations. iteration 5: trace = 3.178841158371629 (0.268465% change) linmin: converged after 4 iterations. iteration 6: trace = 3.174359784711398 (0.141075% change) linmin: converged after 4 iterations. iteration 7: trace = 3.172271429703166 (0.0658099% change) linmin: converged after 4 iterations. iteration 8: trace = 3.171344966966339 (0.0292093% change) linmin: converged after 4 iterations. iteration 9: trace = 3.171078223607465 (0.0084114% change) linmin: converged after 3 iterations. iteration 10: trace = 3.171008879397923 (0.00218679% change) linmin: converged after 4 iterations. iteration 11: trace = 3.170984754524611 (0.000760798% change) linmin: converged after 4 iterations. iteration 12: trace = 3.17097706778243 (0.000242409% change) linmin: converged after 5 iterations. iteration 13: trace = 3.170972828710284 (0.000133684% change) linmin: converged after 5 iterations. iteration 14: trace = 3.170971244290354 (4.99664e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 3.170970553226561 (2.17934e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 3.170970265011881 (9.08916e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 3.170970164109814 (3.18206e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 3.170970121317302 (1.34951e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 3.170970104220375 (5.3917e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 3.170970094225221 (3.15208e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 3.170970088061014 (1.94395e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 3.170970085145856 (9.19327e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.170970083948772 (3.77514e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.17097008353335 (1.31008e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 3.170970083397891 (4.27185e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 3.170970083352964 (1.41681e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 3.170970083335021 (5.65851e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 3.170970083326956 (2.54356e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 3.170970083323871 (9.72916e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 elapsed time for k point: 0.17121291160583496 zparity:, 6, 0.9953267395056951, -0.9730766670040221, -0.986247911215252, 0.7878496622631198 yparity:, 6, -0.9999079119735855, 0.9999964725103828, -1.000000377490359, 1.0001762821174565 solve_kpoint (1.84,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.70542176664522 (1.60572% change) linmin: converged after 5 iterations. iteration 2: trace = 3.680251297975054 (0.681603% change) linmin: converged after 5 iterations. iteration 3: trace = 3.671551008005009 (0.236685% change) linmin: converged after 4 iterations. iteration 4: trace = 3.667866331047656 (0.100408% change) linmin: converged after 4 iterations. iteration 5: trace = 3.666884708312741 (0.0267664% change) linmin: converged after 4 iterations. iteration 6: trace = 3.666380816936595 (0.0137426% change) linmin: converged after 4 iterations. iteration 7: trace = 3.666217749636358 (0.00444774% change) linmin: converged after 3 iterations. iteration 8: trace = 3.6661505829781 (0.00183206% change) linmin: converged after 5 iterations. iteration 9: trace = 3.666126412642431 (0.000659286% change) linmin: converged after 4 iterations. iteration 10: trace = 3.666119045925824 (0.00020094% change) linmin: converged after 5 iterations. iteration 11: trace = 3.66611614266722 (7.91916e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 3.666115478266013 (1.81228e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 3.666115258037461 (6.00714e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 3.666115190515089 (1.8418e-06% change) linmin: converged after 7 iterations. iteration 15: trace = 3.666115174200297 (4.45016e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 3.666115169279947 (1.34212e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 3.666115167850354 (3.89947e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 3.666115167237352 (1.67208e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 3.666115166888864 (9.50563e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 3.666115166571151 (8.6662e-09% change) large trace change predicted (1.8721e-08%) linmin: converged after 5 iterations. iteration 21: trace = 3.666115165884806 (1.87213e-08% change) large trace change predicted (4.39604e-08%) linmin: converged after 3 iterations. iteration 22: trace = 3.666115164273169 (4.39604e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.666115161714989 (6.9779e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 3.666115159305658 (6.57189e-08% change) linmin: converged after 22 iterations. iteration 25: trace = 3.666115157581601 (4.70268e-08% change) linmin: converged after 28 iterations. iteration 26: trace = 3.666115156371115 (3.30182e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 3.666115155743585 (1.7117e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 3.666115155488845 (6.94848e-09% change) linmin: converged after 9 iterations. iteration 29: trace = 3.66611515541628 (1.97934e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 3.666115155394754 (5.87182e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 3.666115155388817 (1.61931e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 3.666115155387485 (3.63279e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 elapsed time for k point: 0.18995070457458496 zparity:, 7, 0.9973241081197969, -0.984353627051524, -0.9920656947485795, 0.9432892229195069 yparity:, 7, -0.9998843493066407, 0.9999987176028036, -1.000004228955064, 1.000251295159799 solve_kpoint (2.13,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 4.179248358289504 (0.910349% change) linmin: converged after 4 iterations. iteration 2: trace = 4.167780338437884 (0.274781% change) linmin: converged after 4 iterations. iteration 3: trace = 4.165776414135161 (0.0480929% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16489707270989 (0.0211109% change) linmin: converged after 3 iterations. iteration 5: trace = 4.164637936358549 (0.00622211% change) linmin: converged after 4 iterations. iteration 6: trace = 4.164446201568919 (0.00460398% change) linmin: converged after 5 iterations. iteration 7: trace = 4.164369177258053 (0.00184959% change) linmin: converged after 5 iterations. iteration 8: trace = 4.164344541357718 (0.00059159% change) linmin: converged after 3 iterations. iteration 9: trace = 4.1643375227512 (0.000168541% change) linmin: converged after 4 iterations. iteration 10: trace = 4.1643358438107 (4.03171e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.164335332889637 (1.2269e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.16433523099087 (2.44694e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.164335202539397 (6.83218e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 4.1643351877567 (3.54983e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 4.164335171932876 (3.79984e-07% change) large trace change predicted (1.02272e-06%) linmin: converged after 3 iterations. iteration 16: trace = 4.1643351293438 (1.02271e-06% change) large trace change predicted (8.89361e-06%) linmin: converged after 8 iterations. iteration 17: trace = 4.164334759043552 (8.89218e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 18: trace = 4.16316758638906 (0.0280318% change) linmin: converged after 9 iterations. iteration 19: trace = 4.163166876293172 (1.70566e-05% change) linmin: converged after 7 iterations. iteration 20: trace = 4.163166163752942 (1.71153e-05% change) linmin: converged after 8 iterations. iteration 21: trace = 4.163165449011131 (1.71682e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 4.16316473228248 (1.7216e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.163164013755316 (1.72592e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.163163293593025 (1.72984e-05% change) linmin: converged after 9 iterations. iteration 25: trace = 4.163162571935903 (1.73343e-05% change) linmin: converged after 7 iterations. iteration 26: trace = 4.163161848902639 (1.73674e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.163161124591937 (1.73981e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.163160399084225 (1.74268e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 4.163159672443065 (1.74541e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.163158944716526 (1.74802e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.163158215938651 (1.75054e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.163157486130701 (1.75302e-05% change) linmin: converged after 12 iterations. iteration 33: trace = 4.163156755302264 (1.75547e-05% change) linmin: converged after 21 iterations. iteration 34: trace = 4.163156023429362 (1.75798e-05% change) linmin: converged after 12 iterations. iteration 35: trace = 4.163155290546891 (1.7604e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.163154556597316 (1.76296e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 4.163153821571862 (1.76555e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 4.163153085450248 (1.76818e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 4.163152348177279 (1.77095e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.163151609704363 (1.77383e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 4.163150869986995 (1.77682e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 4.163150128967145 (1.77995e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.163149386585701 (1.78322e-05% change) linmin: converged after 9 iterations. iteration 44: trace = 4.163148642780136 (1.78664e-05% change) linmin: converged after 10 iterations. iteration 45: trace = 4.163147897482164 (1.79023e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 4.16314715062773 (1.79397e-05% change) linmin: converged after 12 iterations. iteration 47: trace = 4.163146402144422 (1.79788e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.163145651958501 (1.80197e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 4.163144899994773 (1.80624e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 4.163144146176415 (1.81069e-05% change) linmin: converged after 10 iterations. iteration 51: trace = 4.163143390425138 (1.81534e-05% change) linmin: converged after 8 iterations. iteration 52: trace = 4.163142632661325 (1.82017e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.163141872804288 (1.8252e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 4.16314111077236 (1.83043e-05% change) linmin: converged after 9 iterations. iteration 55: trace = 4.163140346483049 (1.83585e-05% change) linmin: converged after 12 iterations. iteration 56: trace = 4.163139579853148 (1.84147e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.163138810798954 (1.84729e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 4.163138039236278 (1.85332e-05% change) linmin: converged after 8 iterations. iteration 59: trace = 4.163137265080522 (1.85955e-05% change) linmin: converged after 15 iterations. iteration 60: trace = 4.163136488246822 (1.86598e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 4.163135708650155 (1.87262e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 4.16313492620536 (1.87946e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 4.163134140827234 (1.88651e-05% change) linmin: converged after 7 iterations. iteration 64: trace = 4.163133352430576 (1.89376e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 4.163132560930322 (1.90121e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 4.163131766241523 (1.90887e-05% change) linmin: converged after 10 iterations. iteration 67: trace = 4.163130968279442 (1.91674e-05% change) linmin: converged after 7 iterations. iteration 68: trace = 4.163130166959633 (1.9248e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 4.163129362197923 (1.93307e-05% change) resetting CG direction... large trace change predicted (0.20048%) linmin: converged after 4 iterations. iteration 70: trace = 4.154754269036366 (0.201376% change) linmin: converged after 4 iterations. iteration 71: trace = 4.151730774648329 (0.0727984% change) linmin: converged after 4 iterations. iteration 72: trace = 4.150327728248673 (0.0338% change) linmin: converged after 3 iterations. iteration 73: trace = 4.149564355410396 (0.0183948% change) linmin: converged after 9 iterations. iteration 74: trace = 4.149045216918441 (0.0125115% change) linmin: converged after 3 iterations. iteration 75: trace = 4.148540739501984 (0.0121596% change) linmin: converged after 4 iterations. iteration 76: trace = 4.147913030488091 (0.015132% change) linmin: converged after 5 iterations. iteration 77: trace = 4.14696335293775 (0.0228979% change) linmin: converged after 5 iterations. iteration 78: trace = 4.145419664772184 (0.0372315% change) linmin: converged after 5 iterations. iteration 79: trace = 4.143768420700608 (0.0398409% change) linmin: converged after 4 iterations. iteration 80: trace = 4.142813620967517 (0.0230445% change) linmin: converged after 4 iterations. iteration 81: trace = 4.142427718641198 (0.00931542% change) linmin: converged after 3 iterations. iteration 82: trace = 4.142309326847935 (0.00285807% change) linmin: converged after 3 iterations. iteration 83: trace = 4.142270291862667 (0.000942353% change) linmin: converged after 3 iterations. iteration 84: trace = 4.142259228354433 (0.000267088% change) linmin: converged after 4 iterations. iteration 85: trace = 4.142254098558954 (0.000123841% change) linmin: converged after 4 iterations. iteration 86: trace = 4.142251825495718 (5.4875e-05% change) linmin: converged after 5 iterations. iteration 87: trace = 4.142250854562075 (2.34398e-05% change) linmin: converged after 2 iterations. iteration 88: trace = 4.142250458252493 (9.56749e-06% change) linmin: converged after 6 iterations. iteration 89: trace = 4.142250016021885 (1.06761e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 4.142249199751446 (1.9706e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 4.142248059527486 (2.75267e-05% change) linmin: converged after 5 iterations. iteration 92: trace = 4.14224631521294 (4.21103e-05% change) linmin: converged after 6 iterations. iteration 93: trace = 4.142245417574321 (2.16703e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 4.142245181154404 (5.70753e-06% change) linmin: converged after 2 iterations. iteration 95: trace = 4.142245107964157 (1.76692e-06% change) linmin: converged after 2 iterations. iteration 96: trace = 4.142245088102449 (4.79491e-07% change) linmin: converged after 2 iterations. iteration 97: trace = 4.142245076893952 (2.7059e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 4.142245071669594 (1.26124e-07% change) linmin: converged after 2 iterations. iteration 99: trace = 4.142245069755909 (4.61992e-08% change) linmin: converged after 2 iterations. iteration 100: trace = 4.142245069000636 (1.82334e-08% change) linmin: converged after 3 iterations. iteration 101: trace = 4.142245068687432 (7.56123e-09% change) linmin: converged after 4 iterations. iteration 102: trace = 4.142245068426584 (6.29725e-09% change) linmin: converged after 2 iterations. iteration 103: trace = 4.14224506802549 (9.68302e-09% change) linmin: converged after 2 iterations. iteration 104: trace = 4.142245067241705 (1.89217e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.142245066287538 (2.3035e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 4.142245065572554 (1.72608e-08% change) linmin: converged after 2 iterations. iteration 107: trace = 4.142245065259731 (7.55203e-09% change) linmin: converged after 12 iterations. iteration 108: trace = 4.142245065162615 (2.34453e-09% change) linmin: converged after 3 iterations. iteration 109: trace = 4.142245065142515 (4.85231e-10% change) linmin: converged after 5 iterations. iteration 110: trace = 4.142245065136632 (1.42032e-10% change) linmin: converged after 2 iterations. iteration 111: trace = 4.142245065134214 (5.83864e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 elapsed time for k point: 0.6494729518890381 zparity:, 8, 0.9982486290503177, -0.9895791223046916, -0.9942480254116284, -0.9858374395357821 yparity:, 8, -0.9998633636102361, 1.0000002772665153, -1.0000094946193563, -0.9998446077472626 solve_kpoint (2.42,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 4.665766465874563 (0.565815% change) linmin: converged after 4 iterations. iteration 2: trace = 4.659489395826522 (0.134625% change) linmin: converged after 4 iterations. iteration 3: trace = 4.658891363438755 (0.0128355% change) linmin: converged after 4 iterations. iteration 4: trace = 4.65871096353985 (0.00387224% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658687038855446 (0.000513549% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65868325667982 (8.11855e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.658682393128436 (1.85364e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.658682225170776 (3.60526e-06% change) linmin: converged after 34 iterations. iteration 9: trace = 4.658682176904288 (1.03605e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.658682160894788 (3.43649e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.658682157651009 (6.96287e-08% change) linmin: converged after 13 iterations. iteration 12: trace = 4.658682156823364 (1.77657e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.658682156624814 (4.26193e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.658682156534685 (1.93464e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.658682156472834 (1.32767e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.658682156406861 (1.41613e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.658682156300657 (2.2797e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 4.658682156170637 (2.79091e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.658682156060237 (2.36978e-09% change) linmin: converged after 9 iterations. iteration 20: trace = 4.658682156016944 (9.29286e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 4.658682156004986 (2.56691e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.658682156001959 (6.49736e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 elapsed time for k point: 0.1339716911315918 zparity:, 9, 0.9987530861905035, -0.9924225574132503, -0.9954159207907368, -0.9908510257235786 yparity:, 9, -0.9998459146893053, 1.000001510036795, -1.0000160082783978, -0.9998409671139477 solve_kpoint (2.71,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.231306463684254 (0.398399% change) linmin: converged after 4 iterations. iteration 2: trace = 5.226476483996172 (0.092371% change) linmin: converged after 4 iterations. iteration 3: trace = 5.225996832030691 (0.00917777% change) linmin: converged after 4 iterations. iteration 4: trace = 5.225846177241163 (0.00288284% change) linmin: converged after 4 iterations. iteration 5: trace = 5.225825962252783 (0.000386828% change) linmin: converged after 5 iterations. iteration 6: trace = 5.225822836954248 (5.98049e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.225822132024473 (1.34894e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.225821997941996 (2.56577e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.225821960503556 (7.16412e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.225821946532259 (2.67351e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 5.225821943078972 (6.60812e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.225821942125431 (1.82467e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.225821941909169 (4.13833e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 5.225821941839987 (1.32385e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 5.225821941820714 (3.68812e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 5.22582194181603 (8.96197e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 elapsed time for k point: 0.09884333610534668 zparity:, 10, 0.999058451884413, -0.9941385054596745, -0.996144476211231, -0.9934909746544984 yparity:, 10, -0.999833271897719, 1.000002524621246, -1.0000230923335933, -0.9998348121389271 solve_kpoint (3,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.849410752654952 (0.287035% change) linmin: converged after 4 iterations. iteration 2: trace = 5.84554894659623 (0.0660422% change) linmin: converged after 4 iterations. iteration 3: trace = 5.845128893013053 (0.00718613% change) linmin: converged after 4 iterations. iteration 4: trace = 5.844992170146368 (0.00233912% change) linmin: converged after 4 iterations. iteration 5: trace = 5.844973984450393 (0.000311133% change) linmin: converged after 2 iterations. iteration 6: trace = 5.844971151658916 (4.84654e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.844970494856534 (1.12371e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.84497036803691 (2.16972e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.844970331184175 (6.30503e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.844970316460044 (2.51911e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 5.844970312633015 (6.54756e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.844970311596862 (1.77273e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.844970311355159 (4.13524e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 5.844970311278132 (1.31782e-09% change) linmin: converged after 10 iterations. iteration 15: trace = 5.844970311258017 (3.4415e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 5.844970311253993 (6.88361e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 Felapsed time for k point: 0.1002035140991211 zparity:, 11, 0.999257350936381, -0.9952507980580001, -0.9966396089669411, -0.9950905165813099 yparity:, 11, -0.9998264814151208, 1.000003358403511, -1.0000301573652695, -0.9998331550675029 Band 1 range: 0.08075820534047619 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106427 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.0855765355012531 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904504 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800331054 at Vector3<0.1, 0.0, 0.0> to 1.2769288087738555 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568814 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201543 at Vector3<3.0, 0.0, 0.0> total elapsed time for run: 2.438840627670288 done /tmp/meepREy4kN/test_strip-0: 2.44s /tmp/meepREy4kN/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013821125030517578 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1387767791748047 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3896608352661133 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08628296852111816 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07965707778930664 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09251046180725098 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1431427001953125 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10830426216125488 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09203958511352539 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07947611808776855 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07647204399108887 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07591438293457031 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.059870004653930664 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.06920957565307617 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09470152854919434 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1108400821685791 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.24595284461975098 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 1.9453980922698975 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepREy4kN/test_subpixel_averaging-0-epsilon.h5... /tmp/meepREy4kN/test_subpixel_averaging-0: 1.96s /tmp/meepREy4kN/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> elapsed time for initialization: 0.045413970947265625 solve_kpoint (0.5,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6 Solving for bands 1 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 15.74018598579249 (195.749% change) linmin: converged after 9 iterations. iteration 2: trace = 3.090147276233731 (134.358% change) linmin: converged after 6 iterations. iteration 3: trace = 2.39752372069761 (25.2429% change) linmin: converged after 5 iterations. iteration 4: trace = 2.145761074543341 (11.0828% change) linmin: converged after 5 iterations. iteration 5: trace = 2.068316051370429 (3.67554% change) linmin: converged after 5 iterations. iteration 6: trace = 2.048480958527572 (0.963618% change) linmin: converged after 4 iterations. iteration 7: trace = 2.043452743659615 (0.245762% change) linmin: converged after 4 iterations. iteration 8: trace = 2.041240675658027 (0.10831% change) linmin: converged after 4 iterations. iteration 9: trace = 2.040708177321921 (0.0260904% change) linmin: converged after 4 iterations. iteration 10: trace = 2.040466618259406 (0.0118377% change) linmin: converged after 4 iterations. iteration 11: trace = 2.040385065982352 (0.00399683% change) linmin: converged after 5 iterations. iteration 12: trace = 2.040354111287643 (0.00151711% change) linmin: converged after 5 iterations. iteration 13: trace = 2.040341169825954 (0.000634277% change) linmin: converged after 4 iterations. iteration 14: trace = 2.040337077970569 (0.000200548% change) linmin: converged after 4 iterations. iteration 15: trace = 2.040336153622575 (4.53037e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 2.040335806340879 (1.70208e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 2.040335710845959 (4.68035e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 2.040335672642774 (1.8724e-06% change) linmin: converged after 22 iterations. iteration 19: trace = 2.040335654413402 (8.9345e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.040335648243747 (3.02384e-07% change) linmin: converged after 18 iterations. iteration 21: trace = 2.040335646291806 (9.56677e-08% change) linmin: converged after 7 iterations. iteration 22: trace = 2.04033564561653 (3.30963e-08% change) linmin: converged after 21 iterations. iteration 23: trace = 2.040335645457566 (7.79107e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 2.040335645416252 (2.02487e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 2.040335645404155 (5.92892e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 2.040335645401636 (1.23432e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 2.04033564540094 (3.41501e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 elapsed time for k point: 4.093977451324463 total elapsed time for run: 4.139477491378784 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.04434537887573242 solve_kpoint (0,0,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.95589239481535 (193.84% change) linmin: converged after 12 iterations. iteration 2: trace = 4.039421326965928 (129.735% change) linmin: converged after 5 iterations. iteration 3: trace = 3.237031641771015 (22.0544% change) linmin: converged after 5 iterations. iteration 4: trace = 2.981724017015089 (8.21089% change) linmin: converged after 5 iterations. iteration 5: trace = 2.778779921662612 (7.04605% change) linmin: converged after 6 iterations. iteration 6: trace = 2.649264413471264 (4.77209% change) linmin: converged after 6 iterations. iteration 7: trace = 2.552598023165624 (3.71661% change) linmin: converged after 6 iterations. iteration 8: trace = 2.49999224211558 (2.08233% change) linmin: converged after 5 iterations. iteration 9: trace = 2.481050506315754 (0.760553% change) linmin: converged after 4 iterations. iteration 10: trace = 2.47318361058262 (0.317583% change) linmin: converged after 3 iterations. iteration 11: trace = 2.470951871990917 (0.0902782% change) linmin: converged after 3 iterations. iteration 12: trace = 2.470390583895061 (0.022718% change) linmin: converged after 4 iterations. iteration 13: trace = 2.470176090620012 (0.00868294% change) linmin: converged after 3 iterations. iteration 14: trace = 2.470105989373048 (0.00283795% change) linmin: converged after 3 iterations. iteration 15: trace = 2.470088975297651 (0.000688802% change) linmin: converged after 3 iterations. iteration 16: trace = 2.470086848276996 (8.61111e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 2.470086726387079 (4.93464e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 2.470086678531701 (1.9374e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.470086646747166 (1.28678e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 2.470086621328261 (1.02907e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 2.470086599230554 (8.94613e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.470086579159212 (8.12576e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 2.470086560435126 (7.58034e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 2.470086542626187 (7.20984e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 2.470086525398639 (6.97447e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 2.470086508443814 (6.86406e-07% change) linmin: converged after 5 iterations. iteration 27: trace = 2.470086491432141 (6.88708e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 2.470086473971004 (7.06904e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 2.470086455551509 (7.45702e-07% change) linmin: converged after 6 iterations. iteration 30: trace = 2.470086435461984 (8.13313e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 2.470086412632964 (9.24219e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 2.470086385334096 (1.10518e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 2.470086350578639 (1.40705e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 2.470086303711495 (1.89739e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 2.470086256803584 (1.89904e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 2.470086237769362 (7.70589e-07% change) linmin: converged after 5 iterations. iteration 37: trace = 2.470086227711381 (4.07191e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 2.470086220769965 (2.81019e-07% change) linmin: converged after 5 iterations. iteration 39: trace = 2.470086215312805 (2.2093e-07% change) linmin: converged after 4 iterations. iteration 40: trace = 2.470086210703905 (1.86589e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 2.470086206637606 (1.64622e-07% change) linmin: converged after 5 iterations. iteration 42: trace = 2.470086202945012 (1.49493e-07% change) linmin: converged after 7 iterations. iteration 43: trace = 2.470086199523804 (1.38506e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 2.470086196306484 (1.30251e-07% change) linmin: converged after 5 iterations. iteration 45: trace = 2.470086193246972 (1.23863e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 2.470086190311444 (1.18843e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 2.470086187474318 (1.14859e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 2.470086184715327 (1.11696e-07% change) linmin: converged after 5 iterations. iteration 49: trace = 2.470086182017742 (1.0921e-07% change) linmin: converged after 5 iterations. iteration 50: trace = 2.470086179367615 (1.07289e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 2.470086176752181 (1.05884e-07% change) linmin: converged after 6 iterations. iteration 52: trace = 2.470086174160263 (1.04932e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.470086171580709 (1.04432e-07% change) linmin: converged after 9 iterations. iteration 54: trace = 2.47008616900312 (1.04352e-07% change) linmin: converged after 6 iterations. iteration 55: trace = 2.470086166416444 (1.0472e-07% change) linmin: converged after 5 iterations. iteration 56: trace = 2.470086163809907 (1.05524e-07% change) linmin: converged after 8 iterations. iteration 57: trace = 2.470086161171471 (1.06816e-07% change) linmin: converged after 6 iterations. iteration 58: trace = 2.470086158488062 (1.08636e-07% change) linmin: converged after 6 iterations. iteration 59: trace = 2.470086155745094 (1.11047e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 2.470086152925734 (1.1414e-07% change) linmin: converged after 5 iterations. iteration 61: trace = 2.470086150010395 (1.18026e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 2.470086146975367 (1.22871e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 2.470086143791794 (1.28885e-07% change) linmin: converged after 6 iterations. iteration 64: trace = 2.47008614042227 (1.36413e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 2.470086136818356 (1.45902e-07% change) linmin: converged after 5 iterations. iteration 66: trace = 2.47008613291373 (1.58077e-07% change) linmin: converged after 5 iterations. iteration 67: trace = 2.470086128613541 (1.74091e-07% change) linmin: converged after 4 iterations. iteration 68: trace = 2.470086123774848 (1.95892e-07% change) linmin: converged after 7 iterations. iteration 69: trace = 2.470086118170149 (2.26903e-07% change) resetting CG direction... large trace change predicted (5.08616e-06%) linmin: converged after 4 iterations. iteration 70: trace = 2.470085992402971 (5.09161e-06% change) linmin: converged after 4 iterations. iteration 71: trace = 2.470085917449075 (3.03447e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 2.470085857051819 (2.44515e-06% change) linmin: converged after 10 iterations. iteration 73: trace = 2.470085794434165 (2.53504e-06% change) linmin: converged after 5 iterations. iteration 74: trace = 2.470085684656471 (4.44429e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 2.470085666272392 (7.44269e-07% change) linmin: converged after 5 iterations. iteration 76: trace = 2.470085659657276 (2.67809e-07% change) linmin: converged after 2 iterations. iteration 77: trace = 2.470085656852766 (1.13539e-07% change) linmin: converged after 6 iterations. iteration 78: trace = 2.470085655579518 (5.15467e-08% change) linmin: converged after 15 iterations. iteration 79: trace = 2.470085654980333 (2.42576e-08% change) linmin: converged after 6 iterations. iteration 80: trace = 2.470085654692695 (1.16449e-08% change) linmin: converged after 6 iterations. iteration 81: trace = 2.47008565455298 (5.65628e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 2.47008565448481 (2.75986e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 2.470085654451496 (1.34869e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 2.470085654435226 (6.58668e-10% change) linmin: converged after 3 iterations. iteration 85: trace = 2.470085654427465 (3.14196e-10% change) linmin: converged after 16 iterations. iteration 86: trace = 2.470085654423682 (1.53178e-10% change) linmin: converged after 6 iterations. iteration 87: trace = 2.470085654421875 (7.31194e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 elapsed time for k point: 9.638393878936768 total elapsed time for run: 9.682840347290039 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zodd. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.04435253143310547 solve_kpoint (0,0,0): zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.02221847556454 (194.149% change) linmin: converged after 11 iterations. iteration 2: trace = 3.363324203114509 (137.092% change) linmin: converged after 5 iterations. iteration 3: trace = 2.753285428763914 (19.947% change) linmin: converged after 5 iterations. iteration 4: trace = 2.542376250784823 (7.96536% change) linmin: converged after 5 iterations. iteration 5: trace = 2.460265280306889 (3.2827% change) linmin: converged after 6 iterations. iteration 6: trace = 2.396838326976499 (2.61172% change) linmin: converged after 5 iterations. iteration 7: trace = 2.342633507615586 (2.28738% change) linmin: converged after 7 iterations. iteration 8: trace = 2.313897281250125 (1.23423% change) linmin: converged after 6 iterations. iteration 9: trace = 2.300812929616366 (0.567071% change) linmin: converged after 4 iterations. iteration 10: trace = 2.296327307690695 (0.195148% change) linmin: converged after 3 iterations. iteration 11: trace = 2.294758109433266 (0.0683585% change) linmin: converged after 4 iterations. iteration 12: trace = 2.294135222393112 (0.0271476% change) linmin: converged after 4 iterations. iteration 13: trace = 2.293938668030191 (0.00856806% change) linmin: converged after 4 iterations. iteration 14: trace = 2.293826788588857 (0.0048773% change) linmin: converged after 4 iterations. iteration 15: trace = 2.293758588338953 (0.00297325% change) linmin: converged after 5 iterations. iteration 16: trace = 2.29369419440961 (0.00280739% change) linmin: converged after 7 iterations. iteration 17: trace = 2.293618199025774 (0.00331329% change) linmin: converged after 7 iterations. iteration 18: trace = 2.293528069881335 (0.00392964% change) linmin: converged after 4 iterations. iteration 19: trace = 2.293451007226641 (0.00336006% change) linmin: converged after 8 iterations. iteration 20: trace = 2.293406432494042 (0.00194358% change) linmin: converged after 5 iterations. iteration 21: trace = 2.293384561775683 (0.000953639% change) linmin: converged after 5 iterations. iteration 22: trace = 2.293373743494189 (0.000471718% change) linmin: converged after 4 iterations. iteration 23: trace = 2.293370474414736 (0.000142545% change) linmin: converged after 5 iterations. iteration 24: trace = 2.293369520043941 (4.16143e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 2.293369112326042 (1.77781e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 2.293368934281367 (7.76346e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 2.293368844736433 (3.90452e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 2.293368821069992 (1.03195e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 2.293368820578205 (2.14439e-08% change) linmin: converged after 15 iterations. iteration 30: trace = 2.293368820560684 (7.63951e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.293368820559674 (4.40532e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 .elapsed time for k point: 3.504971981048584 total elapsed time for run: 3.5494325160980225 done /tmp/meepREy4kN/test_symmetry_overlap-0: 17.82s /tmp/meepREy4kN/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002070188522338867 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 13.34289714972894 (194.943% change) linmin: converged after 7 iterations. iteration 2: trace = 5.883288708168695 (77.5984% change) linmin: converged after 5 iterations. iteration 3: trace = 5.044755956652265 (15.3464% change) linmin: converged after 5 iterations. iteration 4: trace = 4.759186801709515 (5.8256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.648502384223162 (2.35306% change) linmin: converged after 5 iterations. iteration 6: trace = 4.573735188935832 (1.62145% change) linmin: converged after 8 iterations. iteration 7: trace = 4.52509608637615 (1.06913% change) linmin: converged after 5 iterations. iteration 8: trace = 4.490878663187865 (0.75904% change) linmin: converged after 6 iterations. iteration 9: trace = 4.471972673158225 (0.421874% change) linmin: converged after 4 iterations. iteration 10: trace = 4.463100096502826 (0.198601% change) linmin: converged after 5 iterations. iteration 11: trace = 4.457774835855648 (0.119389% change) linmin: converged after 4 iterations. iteration 12: trace = 4.455553733636293 (0.0498378% change) linmin: converged after 4 iterations. iteration 13: trace = 4.454264949858793 (0.0289295% change) linmin: converged after 4 iterations. iteration 14: trace = 4.453628568036768 (0.014288% change) linmin: converged after 4 iterations. iteration 15: trace = 4.453292324411062 (0.00755017% change) linmin: converged after 4 iterations. iteration 16: trace = 4.453169254637682 (0.00276361% change) linmin: converged after 4 iterations. iteration 17: trace = 4.453124198333839 (0.00101179% change) linmin: converged after 5 iterations. iteration 18: trace = 4.453097708544561 (0.00059486% change) linmin: converged after 5 iterations. iteration 19: trace = 4.453064686036361 (0.000741565% change) large trace change predicted (0.00167871%) linmin: converged after 5 iterations. iteration 20: trace = 4.45298990841828 (0.00167925% change) large trace change predicted (0.00355348%) linmin: converged after 5 iterations. iteration 21: trace = 4.452831698844816 (0.00355295% change) linmin: converged after 5 iterations. iteration 22: trace = 4.452615931157147 (0.00484575% change) linmin: converged after 5 iterations. iteration 23: trace = 4.452445091453559 (0.00383691% change) linmin: converged after 5 iterations. iteration 24: trace = 4.452296186462407 (0.0033444% change) linmin: converged after 4 iterations. iteration 25: trace = 4.452144807934144 (0.00340007% change) linmin: converged after 4 iterations. iteration 26: trace = 4.45202801093897 (0.00262342% change) linmin: converged after 4 iterations. iteration 27: trace = 4.451974702503797 (0.0011974% change) linmin: converged after 4 iterations. iteration 28: trace = 4.451958340675563 (0.000367519% change) linmin: converged after 4 iterations. iteration 29: trace = 4.451953421809165 (0.000110488% change) linmin: converged after 5 iterations. iteration 30: trace = 4.451951355107926 (4.64224e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 4.451950388858642 (2.1704e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.451949935124777 (1.01918e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 4.451949721654937 (4.79497e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 4.451949638042385 (1.87811e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 4.451949603090662 (7.85088e-07% change) linmin: converged after 10 iterations. iteration 36: trace = 4.451949587124878 (3.58625e-07% change) linmin: converged after 6 iterations. iteration 37: trace = 4.451949578414573 (1.95651e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 4.451949573497659 (1.10444e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 4.451949570787107 (6.08846e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 4.451949569043551 (3.91639e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 4.451949566780466 (5.08336e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.451949562367793 (9.91178e-08% change) large trace change predicted (2.08746e-07%) linmin: converged after 2 iterations. iteration 43: trace = 4.451949553074521 (2.08746e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 4.451949540843078 (2.74744e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 4.451949529999953 (2.43559e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 4.451949523238304 (1.51881e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 4.451949519159151 (9.16262e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 4.451949516240864 (6.55508e-08% change) linmin: converged after 5 iterations. iteration 49: trace = 4.451949514432178 (4.06268e-08% change) linmin: converged after 3 iterations. iteration 50: trace = 4.451949513681809 (1.68548e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.451949513453071 (5.13793e-09% change) linmin: converged after 12 iterations. iteration 52: trace = 4.451949513392949 (1.35046e-09% change) linmin: converged after 3 iterations. iteration 53: trace = 4.451949513373067 (4.46608e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 4.451949513363684 (2.10755e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 4.451949513358428 (1.18066e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 4.451949513355888 (5.7038e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.151580810546875 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.47594446708455 (0.531645% change) linmin: converged after 4 iterations. iteration 2: trace = 4.470049557564652 (0.131789% change) linmin: converged after 3 iterations. iteration 3: trace = 4.468237947747928 (0.0405359% change) linmin: converged after 3 iterations. iteration 4: trace = 4.467329142575571 (0.0203413% change) linmin: converged after 4 iterations. iteration 5: trace = 4.466696419379508 (0.0141643% change) linmin: converged after 4 iterations. iteration 6: trace = 4.466267349480991 (0.00960644% change) linmin: converged after 4 iterations. iteration 7: trace = 4.465882291995668 (0.00862183% change) linmin: converged after 4 iterations. iteration 8: trace = 4.465603095551343 (0.00625196% change) linmin: converged after 3 iterations. iteration 9: trace = 4.465254970880233 (0.007796% change) large trace change predicted (0.015835%) linmin: converged after 3 iterations. iteration 10: trace = 4.464548380044759 (0.0158255% change) large trace change predicted (0.0385932%) linmin: converged after 6 iterations. iteration 11: trace = 4.462859568819666 (0.0378343% change) linmin: converged after 10 iterations. iteration 12: trace = 4.460811970277925 (0.0458914% change) linmin: converged after 6 iterations. iteration 13: trace = 4.459584283478679 (0.0275254% change) linmin: converged after 4 iterations. iteration 14: trace = 4.459118661364628 (0.0104415% change) linmin: converged after 7 iterations. iteration 15: trace = 4.458964421199068 (0.00345904% change) linmin: converged after 3 iterations. iteration 16: trace = 4.458929960323483 (0.000772848% change) linmin: converged after 3 iterations. iteration 17: trace = 4.458912092727452 (0.000400716% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458904032336828 (0.000180771% change) linmin: converged after 3 iterations. iteration 19: trace = 4.458899161081643 (0.000109248% change) linmin: converged after 4 iterations. iteration 20: trace = 4.458897017351457 (4.80776e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 4.45889596075534 (2.36964e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.458895419253098 (1.21443e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.458895086285063 (7.4675e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.458894672876793 (9.27154e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 4.458893966784354 (1.58356e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.458892812036253 (2.58976e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458891509286692 (2.92169e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458890473613824 (2.32271e-05% change) linmin: converged after 7 iterations. iteration 29: trace = 4.458889874545344 (1.34354e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.458889622685652 (5.64848e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 4.45888952643595 (2.1586e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 4.458889488492838 (8.50954e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 4.458889473720224 (3.31307e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 4.45888946816392 (1.24612e-07% change) linmin: converged after 3 iterations. iteration 35: trace = 4.458889466116759 (4.59119e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 4.45888946524228 (1.9612e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 4.458889464752234 (1.09903e-08% change) linmin: converged after 18 iterations. iteration 38: trace = 4.4588894644632 (6.48219e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 4.458889464280369 (4.10038e-09% change) linmin: converged after 4 iterations. iteration 40: trace = 4.458889464100636 (4.03088e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 4.458889463833435 (5.99255e-09% change) linmin: converged after 7 iterations. iteration 42: trace = 4.458889463451232 (8.5717e-09% change) linmin: converged after 8 iterations. iteration 43: trace = 4.458889462992349 (1.02914e-08% change) linmin: converged after 7 iterations. iteration 44: trace = 4.458889462497352 (1.11014e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 4.458889462139591 (8.02354e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 4.458889461932944 (4.63448e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 4.458889461821264 (2.50467e-09% change) linmin: converged after 6 iterations. iteration 48: trace = 4.458889461773406 (1.07331e-09% change) linmin: converged after 5 iterations. iteration 49: trace = 4.458889461754992 (4.12986e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 4.458889461749086 (1.32443e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 4.458889461747212 (4.20297e-11% change) Finished solving for bands 1 to 8 after 51 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546 elapsed time for k point: 0.16639375686645508 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.492158134805232 (0.545791% change) linmin: converged after 5 iterations. iteration 2: trace = 4.485756356464682 (0.142612% change) linmin: converged after 4 iterations. iteration 3: trace = 4.48359772319342 (0.0481335% change) linmin: converged after 4 iterations. iteration 4: trace = 4.482688838957788 (0.0202734% change) linmin: converged after 4 iterations. iteration 5: trace = 4.482289052223193 (0.00891886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.482111886539243 (0.00395265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.481989042618931 (0.0027408% change) linmin: converged after 4 iterations. iteration 8: trace = 4.481900761942899 (0.0019697% change) linmin: converged after 4 iterations. iteration 9: trace = 4.481819566982614 (0.00181164% change) linmin: converged after 4 iterations. iteration 10: trace = 4.481727172834768 (0.00206155% change) linmin: converged after 13 iterations. iteration 11: trace = 4.481640274020332 (0.00193898% change) linmin: converged after 4 iterations. iteration 12: trace = 4.481586984826549 (0.00118906% change) linmin: converged after 5 iterations. iteration 13: trace = 4.481566235482779 (0.000462992% change) linmin: converged after 4 iterations. iteration 14: trace = 4.481558614049679 (0.000170062% change) linmin: converged after 4 iterations. iteration 15: trace = 4.481555960259477 (5.92158e-05% change) linmin: converged after 18 iterations. iteration 16: trace = 4.481555115788896 (1.88432e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.481554758617398 (7.96981e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.481554675435327 (1.8561e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 4.481554649662253 (5.75092e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.481554642967519 (1.49384e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.481554640848156 (4.72908e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 4.481554640163128 (1.52855e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.481554639855202 (6.87097e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 4.481554639686879 (3.75591e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 4.481554639614053 (1.625e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.48155463958997 (5.3738e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.481554639582904 (1.57676e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.481554639580319 (5.76719e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022 elapsed time for k point: 0.09243512153625488 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.54301972900394 (0.515577% change) linmin: converged after 4 iterations. iteration 2: trace = 4.537380948842903 (0.124197% change) linmin: converged after 4 iterations. iteration 3: trace = 4.535410322902087 (0.0434403% change) linmin: converged after 4 iterations. iteration 4: trace = 4.534688093386124 (0.0159255% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534407372590857 (0.00619071% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534314483921439 (0.00204855% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534272775355565 (0.000919847% change) linmin: converged after 5 iterations. iteration 8: trace = 4.53425640839527 (0.000360962% change) linmin: converged after 4 iterations. iteration 9: trace = 4.53425029643229 (0.000134795% change) linmin: converged after 5 iterations. iteration 10: trace = 4.534247094432772 (7.06181e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.534244850401082 (4.94907e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.534242751425728 (4.62916e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.534241209054622 (3.40161e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.534240295109358 (2.01565e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.534239883207084 (9.08426e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.534239659653652 (4.93034e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.534239494917887 (3.63315e-06% change) linmin: converged after 9 iterations. iteration 18: trace = 4.53423941526584 (1.75668e-06% change) linmin: converged after 17 iterations. iteration 19: trace = 4.534239379667346 (7.85104e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.534239370364457 (2.0517e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.534239368024673 (5.16026e-08% change) linmin: converged after 15 iterations. iteration 22: trace = 4.534239367497578 (1.16248e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 4.534239367336916 (3.54332e-09% change) linmin: converged after 9 iterations. iteration 24: trace = 4.534239367284071 (1.16546e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.534239367267459 (3.66359e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.534239367261488 (1.31692e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.534239367259118 (5.22811e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658 elapsed time for k point: 0.08914875984191895 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.621404992372711 (0.557147% change) linmin: converged after 4 iterations. iteration 2: trace = 4.6140413474812 (0.159465% change) linmin: converged after 4 iterations. iteration 3: trace = 4.61047769647457 (0.0772648% change) linmin: converged after 4 iterations. iteration 4: trace = 4.608710813617704 (0.0383306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.60786323375121 (0.0183925% change) linmin: converged after 4 iterations. iteration 6: trace = 4.607531544207422 (0.0071986% change) linmin: converged after 4 iterations. iteration 7: trace = 4.607374227312376 (0.0034144% change) linmin: converged after 4 iterations. iteration 8: trace = 4.607318349687175 (0.00121279% change) linmin: converged after 4 iterations. iteration 9: trace = 4.607296971209591 (0.000464012% change) linmin: converged after 5 iterations. iteration 10: trace = 4.607286359307485 (0.000230328% change) linmin: converged after 5 iterations. iteration 11: trace = 4.607280058156396 (0.000136765% change) linmin: converged after 5 iterations. iteration 12: trace = 4.607276056851829 (8.68475e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.607274338045066 (3.73064e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 4.607273686828223 (1.41345e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.60727349105639 (4.24919e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.607273423326171 (1.47007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.60727339645474 (5.83239e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.607273383999384 (2.70341e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.607273373222187 (2.33917e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.607273363837915 (2.03684e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.607273356409584 (1.61231e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.607273352713705 (8.02184e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.607273351035127 (3.64332e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.607273350488983 (1.1854e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.607273350318332 (3.70395e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.607273350261742 (1.22828e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 4.607273350235106 (5.7812e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.607273350217991 (3.71482e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.607273350209259 (1.8952e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.607273350205848 (7.40265e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191 elapsed time for k point: 0.09863591194152832 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692438286201939 (0.712878% change) linmin: converged after 5 iterations. iteration 2: trace = 4.67858755927342 (0.295607% change) linmin: converged after 5 iterations. iteration 3: trace = 4.669219826103069 (0.200426% change) linmin: converged after 5 iterations. iteration 4: trace = 4.662995938259231 (0.133385% change) linmin: converged after 4 iterations. iteration 5: trace = 4.659382161777872 (0.0775291% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65741179558654 (0.0422971% change) linmin: converged after 4 iterations. iteration 7: trace = 4.656216146536877 (0.0256753% change) linmin: converged after 4 iterations. iteration 8: trace = 4.655574406992827 (0.0137834% change) linmin: converged after 4 iterations. iteration 9: trace = 4.655148468920621 (0.00914941% change) linmin: converged after 4 iterations. iteration 10: trace = 4.654836684042732 (0.00669786% change) linmin: converged after 4 iterations. iteration 11: trace = 4.654665296959346 (0.00368198% change) linmin: converged after 4 iterations. iteration 12: trace = 4.654604621969572 (0.00130354% change) linmin: converged after 5 iterations. iteration 13: trace = 4.654589608102698 (0.00032256% change) linmin: converged after 4 iterations. iteration 14: trace = 4.654585491988865 (8.84313e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.654584391756915 (2.36376e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.654584007912179 (8.2466e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.654583872099503 (2.91783e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.654583818003201 (1.16222e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.654583786952053 (6.67109e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.654583768788886 (3.90221e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.654583758229811 (2.26853e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.654583754130684 (8.80665e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.654583752195758 (4.15703e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.654583750968559 (2.63654e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.654583749955052 (2.17744e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 4.654583749144854 (1.74064e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 4.654583748504239 (1.37631e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 4.654583748161551 (7.36237e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 4.65458374803795 (2.65546e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 4.654583747984037 (1.15828e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 4.654583747952655 (6.74217e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 4.654583747932777 (4.2707e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.65458374792053 (2.63119e-10% change) linmin: converged after 5 iterations. iteration 34: trace = 4.654583747914256 (1.34794e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.654583747911483 (5.95734e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797 elapsed time for k point: 0.11497092247009277 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.663405538594692 (0.126187% change) linmin: converged after 4 iterations. iteration 2: trace = 4.661028794315041 (0.0509788% change) linmin: converged after 4 iterations. iteration 3: trace = 4.659462455612591 (0.0336106% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658444596655547 (0.0218474% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658018186979108 (0.0091539% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657889867112099 (0.00275485% change) linmin: converged after 4 iterations. iteration 7: trace = 4.657833401920459 (0.00121226% change) linmin: converged after 5 iterations. iteration 8: trace = 4.65781204755369 (0.000458462% change) linmin: converged after 5 iterations. iteration 9: trace = 4.657804893687837 (0.000153589% change) linmin: converged after 2 iterations. iteration 10: trace = 4.657803287529403 (3.44832e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.657802747123242 (1.16022e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.657802583154767 (3.5203e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 4.65780251250674 (1.51677e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.6578024827709 (6.38409e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 4.657802459850044 (4.92096e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.657802440944282 (4.05894e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 4.657802424135099 (3.60882e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.657802413141304 (2.3603e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.657802408226822 (1.05511e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.657802405927214 (4.93711e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.657802404388961 (3.30253e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.657802403523613 (1.85785e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.657802403119728 (8.67115e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 4.657802402939369 (3.87219e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.657802402884991 (1.16746e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.657802402867798 (3.6913e-10% change) linmin: converged after 11 iterations. iteration 27: trace = 4.657802402862908 (1.04992e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.657802402861526 (2.96708e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 elapsed time for k point: 0.0919649600982666 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.672735728065847 (0.129732% change) linmin: converged after 4 iterations. iteration 2: trace = 4.670213935694965 (0.0539828% change) linmin: converged after 9 iterations. iteration 3: trace = 4.668592631123381 (0.0347219% change) linmin: converged after 4 iterations. iteration 4: trace = 4.667637099611373 (0.0204693% change) linmin: converged after 4 iterations. iteration 5: trace = 4.667264545138923 (0.00798197% change) linmin: converged after 4 iterations. iteration 6: trace = 4.667162918370009 (0.00217746% change) linmin: converged after 4 iterations. iteration 7: trace = 4.667121297309043 (0.000891789% change) linmin: converged after 4 iterations. iteration 8: trace = 4.667105889510089 (0.000330136% change) linmin: converged after 5 iterations. iteration 9: trace = 4.667099608686899 (0.000134576% change) linmin: converged after 3 iterations. iteration 10: trace = 4.667097710975308 (4.06615e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.667096867241917 (1.80783e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.667096564921277 (6.4777e-06% change) linmin: converged after 14 iterations. iteration 13: trace = 4.66709642353641 (3.0294e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.667096341918578 (1.74879e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.667096252445055 (1.91711e-06% change) linmin: converged after 20 iterations. iteration 16: trace = 4.667096174501475 (1.67007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.667096128228516 (9.91472e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.667096109587968 (3.99404e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.667096103667988 (1.26845e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.667096101434449 (4.78571e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 4.667096100309831 (2.40967e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 4.667096099663392 (1.3851e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.667096099284753 (8.11295e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.66709609908991 (4.17481e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.66709609900776 (1.7602e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.667096098964764 (9.21254e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.667096098939577 (5.39671e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.667096098919733 (4.25202e-10% change) linmin: converged after 8 iterations. iteration 29: trace = 4.667096098902281 (3.73933e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.667096098892164 (2.16778e-10% change) linmin: converged after 15 iterations. iteration 31: trace = 4.667096098888665 (7.49617e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 elapsed time for k point: 0.1017298698425293 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.687244093032177 (0.138258% change) linmin: converged after 4 iterations. iteration 2: trace = 4.68450112164773 (0.058537% change) linmin: converged after 3 iterations. iteration 3: trace = 4.682869930576683 (0.0348271% change) linmin: converged after 4 iterations. iteration 4: trace = 4.682034068316317 (0.017851% change) linmin: converged after 4 iterations. iteration 5: trace = 4.681730640008873 (0.0064809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.681655106922102 (0.00161337% change) linmin: converged after 3 iterations. iteration 7: trace = 4.681629472566263 (0.000547551% change) linmin: converged after 4 iterations. iteration 8: trace = 4.681621443725991 (0.000171497% change) linmin: converged after 4 iterations. iteration 9: trace = 4.681618077224002 (7.19089e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.681616737998083 (2.86061e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.681615858546355 (1.87852e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.681615429378891 (9.16708e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.681615194362362 (5.01999e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.681615039712051 (3.30335e-06% change) linmin: converged after 6 iterations. iteration 15: trace = 4.681614869242017 (3.64127e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 4.681614726230351 (3.05475e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.681614658041417 (1.45653e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.681614630400924 (5.90405e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.68161462095171 (2.01837e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.681614615856853 (1.08827e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.681614612123163 (7.97522e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.681614608813805 (7.06884e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.68161460661389 (4.69905e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.681614605684865 (1.98441e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 4.681614605285612 (8.52811e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.681614605099324 (3.97913e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 4.681614605024981 (1.58798e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 4.681614605000406 (5.24926e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 4.681614604988978 (2.44108e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 4.681614604983472 (1.17605e-10% change) linmin: converged after 17 iterations. iteration 31: trace = 4.681614604980835 (5.63268e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805 elapsed time for k point: 0.10161685943603516 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.705683450233832 (0.150475% change) linmin: converged after 4 iterations. iteration 2: trace = 4.702693967398454 (0.0635494% change) linmin: converged after 4 iterations. iteration 3: trace = 4.701070860685245 (0.0345204% change) linmin: converged after 4 iterations. iteration 4: trace = 4.700326710701877 (0.0158306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.700066397544942 (0.00553835% change) linmin: converged after 4 iterations. iteration 6: trace = 4.699999664100543 (0.00141985% change) linmin: converged after 3 iterations. iteration 7: trace = 4.699978616958633 (0.000447813% change) linmin: converged after 4 iterations. iteration 8: trace = 4.699972034548925 (0.000140052% change) linmin: converged after 4 iterations. iteration 9: trace = 4.699969000630877 (6.45519e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.699967170929802 (3.89301e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.699965319407021 (3.93944e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.699964030426752 (2.74253e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.699963193699698 (1.78028e-05% change) linmin: converged after 13 iterations. iteration 14: trace = 4.699962560785059 (1.34664e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.699961832691024 (1.54915e-05% change) linmin: converged after 8 iterations. iteration 16: trace = 4.699961225600806 (1.29169e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.699960906583666 (6.78765e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.699960737235768 (3.60318e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.699960644725966 (1.96831e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.699960592889878 (1.1029e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 4.699960564066775 (6.13263e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.699960551853538 (2.59858e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.69996054723549 (9.82572e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.699960545971039 (2.69034e-08% change) linmin: converged after 16 iterations. iteration 25: trace = 4.699960545396193 (1.22309e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 4.699960545062289 (7.10439e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 4.699960544894044 (3.57971e-09% change) linmin: converged after 8 iterations. iteration 28: trace = 4.699960544831154 (1.3381e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 4.699960544805101 (5.54341e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.699960544792848 (2.60692e-10% change) linmin: converged after 8 iterations. iteration 31: trace = 4.699960544786444 (1.36251e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 4.699960544782283 (8.85351e-11% change) Finished solving for bands 1 to 8 after 32 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946 elapsed time for k point: 0.10475468635559082 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.726091835505287 (0.165622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.722802797492552 (0.0696174% change) linmin: converged after 4 iterations. iteration 3: trace = 4.721109191086882 (0.0358666% change) linmin: converged after 4 iterations. iteration 4: trace = 4.720325201509452 (0.0166074% change) linmin: converged after 4 iterations. iteration 5: trace = 4.72002872799142 (0.00628098% change) linmin: converged after 4 iterations. iteration 6: trace = 4.719918630346546 (0.00233259% change) linmin: converged after 4 iterations. iteration 7: trace = 4.719865321785012 (0.00112944% change) linmin: converged after 4 iterations. iteration 8: trace = 4.719831657789942 (0.000713243% change) linmin: converged after 4 iterations. iteration 9: trace = 4.71980741335517 (0.000513673% change) linmin: converged after 5 iterations. iteration 10: trace = 4.719790508681744 (0.000358165% change) linmin: converged after 5 iterations. iteration 11: trace = 4.719779814604564 (0.00022658% change) linmin: converged after 4 iterations. iteration 12: trace = 4.719770348472877 (0.000200563% change) linmin: converged after 5 iterations. iteration 13: trace = 4.719756280307735 (0.000298069% change) large trace change predicted (0.000793235%) linmin: converged after 15 iterations. iteration 14: trace = 4.719718876294719 (0.000792502% change) large trace change predicted (0.00173209%) linmin: converged after 4 iterations. iteration 15: trace = 4.719637476238337 (0.0017247% change) linmin: converged after 3 iterations. iteration 16: trace = 4.719538716015165 (0.00209256% change) linmin: converged after 6 iterations. iteration 17: trace = 4.719446199514753 (0.00196031% change) linmin: converged after 5 iterations. iteration 18: trace = 4.719342067157387 (0.00220648% change) linmin: converged after 4 iterations. iteration 19: trace = 4.719250145660985 (0.00194778% change) linmin: converged after 4 iterations. iteration 20: trace = 4.719204779897166 (0.000961296% change) linmin: converged after 3 iterations. iteration 21: trace = 4.719181996963679 (0.000482772% change) linmin: converged after 3 iterations. iteration 22: trace = 4.71917349179555 (0.000180226% change) linmin: converged after 3 iterations. iteration 23: trace = 4.719169509308651 (8.43895e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.719167458935975 (4.34478e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 4.719165917310743 (3.26673e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.71916510764345 (1.7157e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 4.719164862213012 (5.20072e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 4.719164785194017 (1.63205e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 4.719164760924096 (5.14284e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 4.719164750429895 (2.22374e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 4.719164743982211 (1.36628e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 4.719164738001871 (1.26725e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 4.719164732533893 (1.15867e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 4.719164729191952 (7.08164e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 4.719164727748357 (3.05901e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 4.71916472725019 (1.05563e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 4.719164726984241 (5.63551e-09% change) linmin: converged after 9 iterations. iteration 38: trace = 4.719164726836323 (3.13441e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 4.719164726707298 (2.73406e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 4.719164726548755 (3.35956e-09% change) linmin: converged after 10 iterations. iteration 41: trace = 4.719164726296947 (5.33585e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 4.719164725852078 (9.42686e-09% change) linmin: converged after 13 iterations. iteration 43: trace = 4.719164725066077 (1.66555e-08% change) linmin: converged after 14 iterations. iteration 44: trace = 4.71916472372212 (2.84787e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 4.719164722419702 (2.75985e-08% change) linmin: converged after 16 iterations. iteration 46: trace = 4.719164721562477 (1.81648e-08% change) linmin: converged after 21 iterations. iteration 47: trace = 4.719164720988466 (1.21634e-08% change) linmin: converged after 12 iterations. iteration 48: trace = 4.719164720623193 (7.74021e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 4.71916472038204 (5.11008e-09% change) linmin: converged after 10 iterations. iteration 50: trace = 4.719164720281913 (2.12171e-09% change) linmin: converged after 4 iterations. iteration 51: trace = 4.719164720241513 (8.56096e-10% change) linmin: converged after 5 iterations. iteration 52: trace = 4.719164720225395 (3.41539e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 4.719164720218767 (1.4044e-10% change) linmin: converged after 5 iterations. iteration 54: trace = 4.719164720216025 (5.81182e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 elapsed time for k point: 0.17586278915405273 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692944380167901 (0.970793% change) linmin: converged after 5 iterations. iteration 2: trace = 4.672476472712366 (0.437095% change) linmin: converged after 5 iterations. iteration 3: trace = 4.66134504154787 (0.238518% change) linmin: converged after 5 iterations. iteration 4: trace = 4.656898551873837 (0.0954362% change) linmin: converged after 4 iterations. iteration 5: trace = 4.655008764250136 (0.0405886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65439933608623 (0.0130927% change) linmin: converged after 4 iterations. iteration 7: trace = 4.654116590783703 (0.00607498% change) linmin: converged after 4 iterations. iteration 8: trace = 4.654018455429475 (0.00210859% change) linmin: converged after 4 iterations. iteration 9: trace = 4.653979714231966 (0.000832428% change) linmin: converged after 4 iterations. iteration 10: trace = 4.653965914128501 (0.000296523% change) linmin: converged after 4 iterations. iteration 11: trace = 4.653960270293428 (0.000121269% change) linmin: converged after 4 iterations. iteration 12: trace = 4.653958279342972 (4.27797e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.653957534859846 (1.59968e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.653957210162117 (6.97681e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.65395702585214 (3.96029e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.653956928560747 (2.09051e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.653956875769952 (1.13432e-06% change) linmin: converged after 13 iterations. iteration 18: trace = 4.653956841201484 (7.42776e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 4.653956819085474 (4.75209e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 4.653956809935063 (1.96616e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.653956806517482 (7.34339e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.653956805199021 (2.83299e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.65395680466305 (1.15165e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.653956804367976 (6.34029e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.653956804189207 (3.84123e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.65395680409557 (2.01199e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 4.653956804061929 (7.2284e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.653956804052053 (2.12199e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.65395680404941 (5.67951e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842 elapsed time for k point: 0.09553360939025879 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.588920978578234 (0.874534% change) linmin: converged after 4 iterations. iteration 2: trace = 4.575249860619992 (0.29836% change) linmin: converged after 4 iterations. iteration 3: trace = 4.569227615780098 (0.131713% change) linmin: converged after 4 iterations. iteration 4: trace = 4.567129923726858 (0.0459197% change) linmin: converged after 4 iterations. iteration 5: trace = 4.566231478753179 (0.0196739% change) linmin: converged after 4 iterations. iteration 6: trace = 4.565933792276804 (0.00651952% change) linmin: converged after 4 iterations. iteration 7: trace = 4.565803133406301 (0.00286164% change) linmin: converged after 4 iterations. iteration 8: trace = 4.565757220078061 (0.0010056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.565743625954823 (0.000297741% change) linmin: converged after 4 iterations. iteration 10: trace = 4.565739612896303 (8.7895e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.565738200055283 (3.09444e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.565737746810887 (9.92708e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.565737597483525 (3.27061e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.565737552537141 (9.84428e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.565737539290494 (2.90132e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.565737535646702 (7.98073e-08% change) linmin: converged after 8 iterations. iteration 17: trace = 4.565737534603485 (2.28488e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.565737534315074 (6.31686e-09% change) linmin: converged after 5 iterations. iteration 19: trace = 4.565737534206797 (2.37151e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.565737534143939 (1.37674e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.565737534100027 (9.61782e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 4.565737534070947 (6.36915e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.56573753405284 (3.96591e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 4.56573753404194 (2.38729e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.56573753403582 (1.34032e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.565737534032801 (6.61212e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032 elapsed time for k point: 0.08573126792907715 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.508620212892092 (0.753199% change) linmin: converged after 4 iterations. iteration 2: trace = 4.499716957737254 (0.197667% change) linmin: converged after 3 iterations. iteration 3: trace = 4.496660861798947 (0.0679406% change) linmin: converged after 4 iterations. iteration 4: trace = 4.495746516235535 (0.0203359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.495430397031106 (0.00703176% change) linmin: converged after 4 iterations. iteration 6: trace = 4.495345271640709 (0.00189362% change) linmin: converged after 4 iterations. iteration 7: trace = 4.495315544672337 (0.000661286% change) linmin: converged after 5 iterations. iteration 8: trace = 4.495303649148995 (0.000264621% change) linmin: converged after 3 iterations. iteration 9: trace = 4.495300564167791 (6.86268e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.495299803160997 (1.69289e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 4.495299629871562 (3.8549e-06% change) linmin: converged after 5 iterations. iteration 12: trace = 4.495299593694352 (8.04779e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.495299585129781 (1.90523e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 4.4952995829639 (4.8181e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.49529958214405 (1.8238e-08% change) linmin: converged after 28 iterations. iteration 16: trace = 4.495299581549299 (1.32305e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.495299580823784 (1.61394e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 4.495299579922003 (2.00605e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.495299579325445 (1.32707e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.49529957906551 (5.78236e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 4.49529957896095 (2.326e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.49529957891384 (1.04798e-09% change) linmin: converged after 6 iterations. iteration 23: trace = 4.495299578893935 (4.42795e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 4.495299578886663 (1.61758e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.495299578884336 (5.17658e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567 elapsed time for k point: 0.08286285400390625 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.473866004790979 (0.70844% change) linmin: converged after 4 iterations. iteration 2: trace = 4.466337931880157 (0.168409% change) linmin: converged after 4 iterations. iteration 3: trace = 4.464014970093497 (0.052024% change) linmin: converged after 3 iterations. iteration 4: trace = 4.463224313439719 (0.0177134% change) linmin: converged after 3 iterations. iteration 5: trace = 4.462870601137268 (0.00792535% change) linmin: converged after 3 iterations. iteration 6: trace = 4.462724153332467 (0.00328152% change) linmin: converged after 3 iterations. iteration 7: trace = 4.462635338597414 (0.00199017% change) linmin: converged after 4 iterations. iteration 8: trace = 4.46258977672777 (0.00102097% change) linmin: converged after 4 iterations. iteration 9: trace = 4.462576102002991 (0.000306431% change) linmin: converged after 5 iterations. iteration 10: trace = 4.462571864667408 (9.49527e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.462570546980006 (2.95275e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.462570139814242 (9.12402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.462570010886544 (2.88909e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.462569981202189 (6.65185e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.462569970590501 (2.37793e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.462569966989759 (8.06876e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.462569964422028 (5.75393e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.462569961021078 (7.62106e-08% change) large trace change predicted (1.59484e-07%) linmin: converged after 4 iterations. iteration 19: trace = 4.462569953904024 (1.59483e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.46256994368324 (2.29034e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.462569934609524 (2.03329e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 4.462569927927913 (1.49726e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.462569924053902 (8.68112e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.462569921863484 (4.90842e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 4.462569921105942 (1.69755e-08% change) linmin: converged after 18 iterations. iteration 26: trace = 4.462569920846194 (5.82059e-09% change) linmin: converged after 18 iterations. iteration 27: trace = 4.462569920755986 (2.02143e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 4.462569920708029 (1.07465e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 4.462569920679469 (6.39996e-10% change) linmin: converged after 15 iterations. iteration 30: trace = 4.462569920665285 (3.17848e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.462569920661394 (8.71745e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423 elapsed time for k point: 0.10258078575134277 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.478658555603819 (0.729587% change) linmin: converged after 5 iterations. iteration 2: trace = 4.469039616062341 (0.215004% change) linmin: converged after 4 iterations. iteration 3: trace = 4.465022814409604 (0.0899211% change) linmin: converged after 4 iterations. iteration 4: trace = 4.462099683144574 (0.0654888% change) linmin: converged after 5 iterations. iteration 5: trace = 4.460047398383897 (0.0460043% change) linmin: converged after 4 iterations. iteration 6: trace = 4.459144908739186 (0.020237% change) linmin: converged after 4 iterations. iteration 7: trace = 4.458741257123712 (0.00905263% change) linmin: converged after 4 iterations. iteration 8: trace = 4.458626601085926 (0.00257152% change) linmin: converged after 4 iterations. iteration 9: trace = 4.458596309902849 (0.000679386% change) linmin: converged after 5 iterations. iteration 10: trace = 4.458587755439019 (0.000191865% change) linmin: converged after 6 iterations. iteration 11: trace = 4.458585207925357 (5.71372e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 4.45858449001386 (1.61018e-05% change) linmin: converged after 24 iterations. iteration 13: trace = 4.458584277335135 (4.7701e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.458584200806313 (1.71644e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458584152120826 (1.09195e-06% change) linmin: converged after 14 iterations. iteration 16: trace = 4.458584133462662 (4.18477e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.458584124789706 (1.94523e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458584118093987 (1.50176e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.458584108089635 (2.24384e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.458584093760502 (3.21383e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.458584070135795 (5.2987e-07% change) large trace change predicted (1.49556e-06%) linmin: converged after 12 iterations. iteration 22: trace = 4.458584003454766 (1.49557e-06% change) large trace change predicted (5.07369e-06%) linmin: converged after 3 iterations. iteration 23: trace = 4.458583777248651 (5.0735e-06% change) near maximum in trace linmin: converged after 18 iterations. iteration 24: trace = 4.458459762226113 (0.00278153% change) linmin: converged after 8 iterations. iteration 25: trace = 4.458458097222653 (3.73448e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.458456435414942 (3.72732e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458454780836334 (3.7111e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458453133770327 (3.69425e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 4.458451492344961 (3.6816e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 4.458449853546941 (3.67571e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 4.458448213826725 (3.67778e-05% change) linmin: converged after 9 iterations. iteration 32: trace = 4.458446569444464 (3.68824e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 4.458444916661476 (3.70708e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 4.458443251842857 (3.73408e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 4.458441571511066 (3.76888e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.458439872373875 (3.81106e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 4.45843815133906 (3.86017e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 4.458436405527778 (3.91575e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 4.458434632293662 (3.97726e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.458432829221961 (4.04418e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 4.458430994161017 (4.11593e-05% change) linmin: converged after 14 iterations. iteration 42: trace = 4.458429125248355 (4.19186e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 4.458427220938673 (4.27126e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.458425280015929 (4.35338e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 4.458423301666431 (4.43733e-05% change) linmin: converged after 8 iterations. iteration 46: trace = 4.458421285489043 (4.52218e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 4.458419231568029 (4.60684e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.458417140375668 (4.69044e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 4.458415012986048 (4.77163e-05% change) linmin: converged after 9 iterations. iteration 50: trace = 4.458412850959375 (4.84932e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 4.458410656393371 (4.9223e-05% change) linmin: converged after 10 iterations. iteration 52: trace = 4.458408431819379 (4.98961e-05% change) linmin: converged after 15 iterations. iteration 53: trace = 4.458406180361353 (5.04992e-05% change) linmin: converged after 7 iterations. iteration 54: trace = 4.458403905412517 (5.10261e-05% change) linmin: converged after 7 iterations. iteration 55: trace = 4.45840161065304 (5.14704e-05% change) linmin: converged after 16 iterations. iteration 56: trace = 4.458399300195559 (5.18226e-05% change) linmin: converged after 9 iterations. iteration 57: trace = 4.458396978238211 (5.20805e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 4.458394649064632 (5.22424e-05% change) linmin: converged after 11 iterations. iteration 59: trace = 4.45839231672281 (5.23135e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 4.458389985422865 (5.22902e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 4.458387658799612 (5.21853e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 4.458385340460435 (5.19995e-05% change) linmin: converged after 5 iterations. iteration 63: trace = 4.458383033641146 (5.17412e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 4.458380740987514 (5.14234e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 4.458378464950087 (5.10508e-05% change) linmin: converged after 9 iterations. iteration 66: trace = 4.458376207509239 (5.06337e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 4.458373970256708 (5.01809e-05% change) linmin: converged after 7 iterations. iteration 68: trace = 4.458371754419538 (4.97006e-05% change) linmin: converged after 6 iterations. iteration 69: trace = 4.458369560891834 (4.92002e-05% change) resetting CG direction... large trace change predicted (0.0705967%) linmin: converged after 3 iterations. iteration 70: trace = 4.455218432031194 (0.0707039% change) linmin: converged after 3 iterations. iteration 71: trace = 4.454076300097985 (0.0256391% change) linmin: converged after 3 iterations. iteration 72: trace = 4.453233408933235 (0.0189258% change) linmin: converged after 3 iterations. iteration 73: trace = 4.452750380332034 (0.0108473% change) linmin: converged after 3 iterations. iteration 74: trace = 4.45248621999205 (0.0059327% change) linmin: converged after 3 iterations. iteration 75: trace = 4.45238135297291 (0.00235527% change) linmin: converged after 4 iterations. iteration 76: trace = 4.452332140018962 (0.00110532% change) linmin: converged after 3 iterations. iteration 77: trace = 4.452312679335096 (0.000437091% change) linmin: converged after 3 iterations. iteration 78: trace = 4.452300707160372 (0.000268898% change) linmin: converged after 3 iterations. iteration 79: trace = 4.452288391133961 (0.000276622% change) linmin: converged after 4 iterations. iteration 80: trace = 4.452272801291765 (0.000350154% change) linmin: converged after 4 iterations. iteration 81: trace = 4.452249228852717 (0.000529449% change) linmin: converged after 3 iterations. iteration 82: trace = 4.452204258025057 (0.00101007% change) linmin: converged after 4 iterations. iteration 83: trace = 4.452119844389218 (0.00189601% change) linmin: converged after 3 iterations. iteration 84: trace = 4.45203054303226 (0.00200584% change) linmin: converged after 5 iterations. iteration 85: trace = 4.451975522790121 (0.00123585% change) linmin: converged after 3 iterations. iteration 86: trace = 4.451956336683962 (0.000430958% change) linmin: converged after 3 iterations. iteration 87: trace = 4.451951182947111 (0.000115763% change) linmin: converged after 3 iterations. iteration 88: trace = 4.45194992695437 (2.82122e-05% change) linmin: converged after 2 iterations. iteration 89: trace = 4.451949633717591 (6.5867e-06% change) linmin: converged after 2 iterations. iteration 90: trace = 4.451949555039655 (1.76727e-06% change) linmin: converged after 2 iterations. iteration 91: trace = 4.451949527224505 (6.24786e-07% change) linmin: converged after 20 iterations. iteration 92: trace = 4.451949519989437 (1.62515e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 4.451949518321356 (3.74686e-08% change) linmin: converged after 3 iterations. iteration 94: trace = 4.451949517531383 (1.77444e-08% change) linmin: converged after 3 iterations. iteration 95: trace = 4.45194951701959 (1.14959e-08% change) linmin: converged after 11 iterations. iteration 96: trace = 4.451949516565071 (1.02094e-08% change) linmin: converged after 2 iterations. iteration 97: trace = 4.451949516311299 (5.70025e-09% change) linmin: converged after 2 iterations. iteration 98: trace = 4.45194951618584 (2.81806e-09% change) linmin: converged after 3 iterations. iteration 99: trace = 4.451949516111402 (1.67202e-09% change) large trace change predicted (3.42048e-09%) linmin: converged after 3 iterations. iteration 100: trace = 4.451949515959129 (3.42038e-09% change) linmin: converged after 5 iterations. iteration 101: trace = 4.45194951567253 (6.43759e-09% change) linmin: converged after 3 iterations. iteration 102: trace = 4.451949515253565 (9.41083e-09% change) linmin: converged after 3 iterations. iteration 103: trace = 4.451949514776373 (1.07187e-08% change) linmin: converged after 2 iterations. iteration 104: trace = 4.451949514168423 (1.36558e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 4.451949513641425 (1.18375e-08% change) linmin: converged after 3 iterations. iteration 106: trace = 4.45194951344526 (4.40627e-09% change) linmin: converged after 12 iterations. iteration 107: trace = 4.451949513374773 (1.5833e-09% change) linmin: converged after 2 iterations. iteration 108: trace = 4.451949513356691 (4.06149e-10% change) linmin: converged after 4 iterations. iteration 109: trace = 4.451949513352739 (8.87789e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.29204559326171875 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117474 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.49243428236220704 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.526971050644882 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6568031427446027 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502104 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7383774303752573 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802602 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.825978716470153 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012379 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.8271634538840882 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529559 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 0.9984200611839871 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.0411551252079025 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2993049473117474) to band 2 (0.49243428236220704), 48.78609719263048% Gap from band 5 (0.7988168792802602) to band 6 (0.825978716470153), 3.343415905475546% Gap from band 7 (0.9834563303529559) to band 8 (0.9984200611839871), 1.5100569233207162% total elapsed time for run: 1.9510796070098877 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.002098560333251953 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 9.345806662498543 (196.355% change) linmin: converged after 7 iterations. iteration 2: trace = 3.455682105603809 (92.0225% change) linmin: converged after 5 iterations. iteration 3: trace = 2.964925980590619 (15.2869% change) linmin: converged after 5 iterations. iteration 4: trace = 2.881973434637948 (2.83749% change) linmin: converged after 5 iterations. iteration 5: trace = 2.868382752776488 (0.47269% change) linmin: converged after 4 iterations. iteration 6: trace = 2.865183812544309 (0.111586% change) linmin: converged after 5 iterations. iteration 7: trace = 2.863590833741099 (0.0556132% change) linmin: converged after 4 iterations. iteration 8: trace = 2.862863745162171 (0.025394% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862718556173162 (0.00507159% change) linmin: converged after 7 iterations. iteration 10: trace = 2.862686082422818 (0.00113437% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862646034309393 (0.00139898% change) linmin: converged after 5 iterations. iteration 12: trace = 2.862568116843556 (0.00272191% change) linmin: converged after 5 iterations. iteration 13: trace = 2.862522529156347 (0.00159256% change) linmin: converged after 4 iterations. iteration 14: trace = 2.862507023053621 (0.000541695% change) linmin: converged after 4 iterations. iteration 15: trace = 2.8624970244307 (0.000349297% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862491945372417 (0.000177435% change) linmin: converged after 5 iterations. iteration 17: trace = 2.862490865834021 (3.77132e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 2.8624907260452 (4.88347e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.862490708248829 (6.21709e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 2.862490703921476 (1.51174e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 2.862490700442617 (1.21533e-07% change) linmin: converged after 13 iterations. iteration 22: trace = 2.862490696942737 (1.22267e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 2.862490694617053 (8.12468e-08% change) linmin: converged after 8 iterations. iteration 24: trace = 2.862490692196367 (8.45658e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 2.862490689635969 (8.94465e-08% change) linmin: converged after 6 iterations. iteration 26: trace = 2.862490688812153 (2.87797e-08% change) linmin: converged after 14 iterations. iteration 27: trace = 2.86249068865775 (5.39401e-09% change) linmin: converged after 16 iterations. iteration 28: trace = 2.862490688633992 (8.29988e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 2.862490688625448 (2.98475e-10% change) linmin: converged after 9 iterations. iteration 30: trace = 2.862490688620294 (1.80041e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.86249068861899 (4.55494e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 elapsed time for k point: 0.08451533317565918 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.859266533744322 (1.54925% change) linmin: converged after 5 iterations. iteration 2: trace = 2.842743885401787 (0.579538% change) linmin: converged after 5 iterations. iteration 3: trace = 2.837677720077269 (0.178373% change) linmin: converged after 4 iterations. iteration 4: trace = 2.836732000258409 (0.0333328% change) linmin: converged after 5 iterations. iteration 5: trace = 2.836186496133744 (0.0192319% change) linmin: converged after 5 iterations. iteration 6: trace = 2.835585889967723 (0.0211788% change) linmin: converged after 4 iterations. iteration 7: trace = 2.83532925090223 (0.00905106% change) linmin: converged after 4 iterations. iteration 8: trace = 2.835307580260289 (0.000764311% change) linmin: converged after 4 iterations. iteration 9: trace = 2.835302898412854 (0.000165127% change) linmin: converged after 5 iterations. iteration 10: trace = 2.835301638980056 (4.44197e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 2.835301372354519 (9.40378e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 2.835301336476825 (1.26539e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 2.835301332836303 (1.284e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 2.835301331052824 (6.29026e-08% change) linmin: converged after 9 iterations. iteration 15: trace = 2.835301329637784 (4.99079e-08% change) linmin: converged after 25 iterations. iteration 16: trace = 2.835301328974365 (2.33985e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 2.835301328638409 (1.18491e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.835301328502631 (4.78884e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 2.83530132848065 (7.75249e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 2.835301328478701 (6.87443e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 elapsed time for k point: 0.06701397895812988 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.801047583435341 (1.13558% change) linmin: converged after 5 iterations. iteration 2: trace = 2.796644378333248 (0.157322% change) linmin: converged after 4 iterations. iteration 3: trace = 2.7959288782003 (0.0255875% change) linmin: converged after 4 iterations. iteration 4: trace = 2.795770481181542 (0.00566543% change) linmin: converged after 9 iterations. iteration 5: trace = 2.795670517948602 (0.00357558% change) linmin: converged after 5 iterations. iteration 6: trace = 2.795637812105357 (0.00116988% change) linmin: converged after 5 iterations. iteration 7: trace = 2.795631405060591 (0.00022918% change) linmin: converged after 2 iterations. iteration 8: trace = 2.795630929521838 (1.70101e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.795630880408565 (1.75679e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.795630872968428 (2.66134e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.795630871760073 (4.3223e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.795630871631208 (4.60951e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 2.79563087161296 (6.52735e-10% change) linmin: converged after 9 iterations. iteration 14: trace = 2.795630871602821 (3.62689e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.795630871598374 (1.59058e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 2.795630871597671 (2.5162e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 elapsed time for k point: 0.053748369216918945 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 2.774998560215885 (0.956829% change) linmin: converged after 4 iterations. iteration 2: trace = 2.772244894227236 (0.0992805% change) linmin: converged after 5 iterations. iteration 3: trace = 2.771711795790375 (0.0192317% change) linmin: converged after 5 iterations. iteration 4: trace = 2.771603071908644 (0.0039227% change) linmin: converged after 5 iterations. iteration 5: trace = 2.77157333986107 (0.00107274% change) linmin: converged after 4 iterations. iteration 6: trace = 2.771567875220617 (0.000197168% change) linmin: converged after 4 iterations. iteration 7: trace = 2.771565848864933 (7.31123e-05% change) linmin: converged after 23 iterations. iteration 8: trace = 2.771565436133743 (1.48916e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.771565393911649 (1.5234e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.771565390637125 (1.18147e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 2.771565390406327 (8.32735e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.771565390385135 (7.6462e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 2.771565390382112 (1.09069e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 2.771565390381668 (1.6007e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 elapsed time for k point: 0.04721260070800781 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.76986289767915 (0.914068% change) linmin: converged after 4 iterations. iteration 2: trace = 2.7662366764232 (0.131003% change) linmin: converged after 4 iterations. iteration 3: trace = 2.764990799331567 (0.0450488% change) linmin: converged after 4 iterations. iteration 4: trace = 2.764690915212057 (0.0108463% change) linmin: converged after 5 iterations. iteration 5: trace = 2.764623520243719 (0.00243773% change) linmin: converged after 5 iterations. iteration 6: trace = 2.764618233702739 (0.000191221% change) linmin: converged after 3 iterations. iteration 7: trace = 2.764617446459626 (2.84757e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 2.764617148488824 (1.0778e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 2.764617097736615 (1.83578e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.764617094306763 (1.24062e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.764617094122716 (6.65725e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.764617094109743 (4.69258e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76461709410778 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 elapsed time for k point: 0.043923139572143555 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.776059205793774 (0.931493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.769429886165129 (0.239089% change) linmin: converged after 5 iterations. iteration 3: trace = 2.766409470118905 (0.109122% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76565530954431 (0.0272651% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765522422981642 (0.004805% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765515118332745 (0.000264133% change) linmin: converged after 10 iterations. iteration 7: trace = 2.765514720941248 (1.43695e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765514678058566 (1.55062e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 2.765514659876092 (6.57472e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765514655313923 (1.64966e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765514654640203 (2.43615e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765514654454889 (6.7009e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.76551465439036 (2.33334e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.765514654376136 (5.14325e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 2.765514654374652 (5.36501e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 elapsed time for k point: 0.05044102668762207 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.767583432193024 (0.36764% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766063309127015 (0.0549411% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76572899258955 (0.0120871% change) linmin: converged after 4 iterations. iteration 4: trace = 2.765669394833952 (0.00215489% change) linmin: converged after 6 iterations. iteration 5: trace = 2.765658289765336 (0.000401534% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765656674101838 (5.84188e-05% change) linmin: converged after 6 iterations. iteration 7: trace = 2.765656191162027 (1.7462e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.765656108679672 (2.98238e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765656098612789 (3.63996e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765656097543772 (3.86533e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765656097432821 (4.01172e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765656097370315 (2.26008e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76565609734533 (9.03415e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 2.765656097342629 (9.76443e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 elapsed time for k point: 0.04707741737365723 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.76828002496966 (0.361641% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766861173313224 (0.051267% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76653878249722 (0.0116525% change) linmin: converged after 5 iterations. iteration 4: trace = 2.766463876994901 (0.00270759% change) linmin: converged after 4 iterations. iteration 5: trace = 2.766444675349486 (0.000694089% change) linmin: converged after 5 iterations. iteration 6: trace = 2.766441155889404 (0.00012722% change) linmin: converged after 5 iterations. iteration 7: trace = 2.766440488279491 (2.41324e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 2.766440405119586 (3.00603e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766440395785974 (3.37387e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766440394337008 (5.23766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766440393560162 (2.80811e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.76644039313326 (1.54315e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766440393061447 (2.59585e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.76644039305401 (2.68819e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.766440393053365 (2.33086e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 elapsed time for k point: 0.05037355422973633 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.770564095893328 (0.348247% change) linmin: converged after 4 iterations. iteration 2: trace = 2.76931008042447 (0.0452723% change) linmin: converged after 5 iterations. iteration 3: trace = 2.769019050829584 (0.0105097% change) linmin: converged after 9 iterations. iteration 4: trace = 2.768934648753342 (0.00304813% change) linmin: converged after 5 iterations. iteration 5: trace = 2.768909972394437 (0.00089119% change) linmin: converged after 6 iterations. iteration 6: trace = 2.76890656309236 (0.000123128% change) linmin: converged after 5 iterations. iteration 7: trace = 2.768906106159755 (1.65023e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.76890604289365 (2.28488e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.76890602455087 (6.62456e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.768906007868233 (6.02499e-07% change) linmin: converged after 9 iterations. iteration 11: trace = 2.768905997652202 (3.68955e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 2.768905996400177 (4.52173e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.768905996267474 (4.79261e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.768905996251331 (5.83013e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.768905996249788 (5.57336e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 elapsed time for k point: 0.050421714782714844 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.775951451394892 (0.330999% change) linmin: converged after 4 iterations. iteration 2: trace = 2.774883098720279 (0.0384934% change) linmin: converged after 5 iterations. iteration 3: trace = 2.774640612554751 (0.00873899% change) linmin: converged after 5 iterations. iteration 4: trace = 2.77456099507157 (0.00286951% change) linmin: converged after 5 iterations. iteration 5: trace = 2.774534593258473 (0.000951572% change) linmin: converged after 5 iterations. iteration 6: trace = 2.774531225311689 (0.000121388% change) linmin: converged after 5 iterations. iteration 7: trace = 2.77453070076803 (1.89057e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.7745303594983 (1.23001e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 2.774529863123143 (1.78904e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.774529580681455 (1.01798e-05% change) linmin: converged after 17 iterations. iteration 11: trace = 2.774529533963527 (1.68381e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 2.774529531015568 (1.06251e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 2.774529530846425 (6.09627e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.774529530829859 (5.97101e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.774529530826867 (1.07816e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 2.774529530826193 (2.4313e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 elapsed time for k point: 0.05361628532409668 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.786010010558214 (0.314216% change) linmin: converged after 4 iterations. iteration 2: trace = 2.785094864088619 (0.0328533% change) linmin: converged after 4 iterations. iteration 3: trace = 2.784890622949262 (0.00733363% change) linmin: converged after 5 iterations. iteration 4: trace = 2.784815529272439 (0.0026965% change) linmin: converged after 5 iterations. iteration 5: trace = 2.784783018960979 (0.00116742% change) linmin: converged after 6 iterations. iteration 6: trace = 2.784775033132307 (0.000286767% change) linmin: converged after 5 iterations. iteration 7: trace = 2.784767387040601 (0.000274568% change) large trace change predicted (0.00145949%) linmin: converged after 4 iterations. iteration 8: trace = 2.784726863705416 (0.00145519% change) large trace change predicted (0.00560839%) linmin: converged after 6 iterations. iteration 9: trace = 2.784576806706098 (0.00538872% change) linmin: converged after 5 iterations. iteration 10: trace = 2.784434566582967 (0.00510827% change) linmin: converged after 3 iterations. iteration 11: trace = 2.784406387945227 (0.00101201% change) linmin: converged after 3 iterations. iteration 12: trace = 2.784404398152179 (7.1462e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 2.784404189729956 (7.48534e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 2.78440415106141 (1.38875e-06% change) linmin: converged after 25 iterations. iteration 15: trace = 2.784404143391648 (2.75454e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 2.784404142114112 (4.58818e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 2.784404141807702 (1.10045e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.784404141512631 (1.05973e-08% change) large trace change predicted (3.91071e-08%) linmin: converged after 13 iterations. iteration 19: trace = 2.784404140423732 (3.91071e-08% change) linmin: converged after 19 iterations. iteration 20: trace = 2.784404138303259 (7.61553e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 2.78440413567283 (9.44701e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 2.784404132526765 (1.12989e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 2.784404131138651 (4.98532e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 2.784404130765973 (1.33845e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 2.784404130704082 (2.22279e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 2.784404130699125 (1.78041e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 2.784404130698568 (1.99843e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 elapsed time for k point: 0.08899092674255371 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.77275399721332 (1.31493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.767398262717903 (0.193343% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766394048706148 (0.0362939% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76629435931601 (0.00360365% change) linmin: converged after 5 iterations. iteration 5: trace = 2.766278312431585 (0.000580088% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76627605571663 (8.15795e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 2.766275726375514 (1.19056e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.766275697025943 (1.06098e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766275694526924 (9.03387e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 2.76627569428374 (8.79103e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766275694243459 (1.45613e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.766275694206311 (1.34287e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766275694188479 (6.4462e-10% change) linmin: converged after 6 iterations. iteration 14: trace = 2.766275694185662 (1.01845e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.766275694185344 (1.14944e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 elapsed time for k point: 0.050269126892089844 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.77149286581312 (1.30013% change) linmin: converged after 5 iterations. iteration 2: trace = 2.766681096222237 (0.173767% change) linmin: converged after 4 iterations. iteration 3: trace = 2.765870731016941 (0.0292944% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76578435790659 (0.00312287% change) linmin: converged after 4 iterations. iteration 5: trace = 2.76576896412909 (0.000556581% change) linmin: converged after 6 iterations. iteration 6: trace = 2.76576691356746 (7.41408e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765766616476074 (1.07417e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765766581509603 (1.26426e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 2.765766575906306 (2.02595e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765766575033984 (3.154e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765766574972649 (2.21763e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.765766574968937 (1.34217e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76576657496863 (1.10951e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 elapsed time for k point: 0.0440211296081543 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.791470836862398 (1.28311% change) linmin: converged after 5 iterations. iteration 2: trace = 2.787458714099723 (0.143831% change) linmin: converged after 4 iterations. iteration 3: trace = 2.78692603308995 (0.0191117% change) linmin: converged after 4 iterations. iteration 4: trace = 2.786856117715398 (0.00250872% change) linmin: converged after 5 iterations. iteration 5: trace = 2.786833391429703 (0.000815484% change) linmin: converged after 5 iterations. iteration 6: trace = 2.786827001476857 (0.000229291% change) linmin: converged after 6 iterations. iteration 7: trace = 2.786825618414127 (4.96286e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.786825460368142 (5.67118e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.786825447118284 (4.75446e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.786825446092698 (3.68012e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.786825446011258 (2.92231e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 2.786825446005849 (1.94108e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 2.786825446005419 (1.54254e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 elapsed time for k point: 0.04413747787475586 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.834933245505366 (1.30701% change) linmin: converged after 3 iterations. iteration 2: trace = 2.830403965065332 (0.159894% change) linmin: converged after 4 iterations. iteration 3: trace = 2.829621813628175 (0.0276377% change) linmin: converged after 4 iterations. iteration 4: trace = 2.829419384307018 (0.00715419% change) linmin: converged after 5 iterations. iteration 5: trace = 2.829342538493453 (0.00271599% change) linmin: converged after 5 iterations. iteration 6: trace = 2.82930572621851 (0.0013011% change) linmin: converged after 6 iterations. iteration 7: trace = 2.829276325559083 (0.00103915% change) linmin: converged after 5 iterations. iteration 8: trace = 2.829270956342432 (0.000189774% change) linmin: converged after 4 iterations. iteration 9: trace = 2.829270335813132 (2.19325e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 2.829270284334401 (1.81951e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 2.829270280435277 (1.37814e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 2.829270280036006 (1.41121e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.829270279947548 (3.12655e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.829270279913449 (1.20522e-09% change) linmin: converged after 11 iterations. iteration 15: trace = 2.82927027989919 (5.03975e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 2.829270279889812 (3.31473e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 2.829270279885793 (1.42035e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 2.829270279885341 (1.59631e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 elapsed time for k point: 0.06020665168762207 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.886141685835956 (1.47203% change) linmin: converged after 5 iterations. iteration 2: trace = 2.874303792321654 (0.411006% change) linmin: converged after 12 iterations. iteration 3: trace = 2.867461048283285 (0.23835% change) linmin: converged after 4 iterations. iteration 4: trace = 2.86397233934153 (0.121739% change) linmin: converged after 4 iterations. iteration 5: trace = 2.863259526579745 (0.0248921% change) linmin: converged after 3 iterations. iteration 6: trace = 2.863087260462697 (0.00601661% change) linmin: converged after 4 iterations. iteration 7: trace = 2.862987569164019 (0.00348201% change) large trace change predicted (0.0075076%) linmin: converged after 5 iterations. iteration 8: trace = 2.862770998312602 (0.00756479% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862591893269431 (0.00625655% change) linmin: converged after 4 iterations. iteration 10: trace = 2.862540772328795 (0.00178584% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862503519861274 (0.00130139% change) linmin: converged after 10 iterations. iteration 12: trace = 2.862492614384059 (0.000380978% change) linmin: converged after 4 iterations. iteration 13: trace = 2.862491127238346 (5.19528e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 2.862490902676318 (7.84499e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 2.862490848354844 (1.8977e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862490815153666 (1.15987e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 2.862490774134773 (1.43298e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 2.862490747516468 (9.299e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 2.862490726725277 (7.26332e-07% change) linmin: converged after 28 iterations. iteration 20: trace = 2.862490701040741 (8.97279e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 2.862490690405778 (3.71528e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.862490688920428 (5.18901e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 2.86249068872468 (6.83836e-09% change) linmin: converged after 19 iterations. iteration 24: trace = 2.862490688677492 (1.64851e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 2.862490688650855 (9.30535e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 2.86249068864038 (3.65962e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 2.862490688636751 (1.2675e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 2.862490688630886 (2.0491e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 2.862490688622828 (2.81503e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 2.862490688619476 (1.171e-10% change) linmin: converged after 8 iterations. iteration 31: trace = 2.86249068861861 (3.02369e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 .elapsed time for k point: 0.08469080924987793 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378438 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046674 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448603 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980675 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4933684778826866 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268195 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.5810352468043717 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801372995 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.6825317446714997 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213788 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.6920145742134777 at Vector3<0.0, 0.0, 0.0> to 0.7841042622393077 at Vector3<0.0, 0.4, 0.0> Band 8 range: 0.7980077872594105 at Vector3<0.0, 0.4, 0.0> to 0.8982239424823445 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2800915681739989) to band 2 (0.2801552391378438), 0.022729612382946834% Gap from band 2 (0.3985126081046674) to band 3 (0.4390817228448603), 9.687055712089714% Gap from band 3 (0.49288810189980675) to band 4 (0.4933684778826866), 0.09741399808674674% Gap from band 4 (0.5808701365268195) to band 5 (0.5810352468043717), 0.028420606345552754% Gap from band 5 (0.6824860801372995) to band 6 (0.6825317446714997), 0.006690686871665024% Gap from band 7 (0.7841042622393077) to band 8 (0.7980077872594105), 1.7575904341930733% total elapsed time for run: 0.9239208698272705 done /tmp/meepREy4kN/test_tri_holes-0: 2.88s /tmp/meepREy4kN/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014395713806152344 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.06524825096130371 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.059308528900146484 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.04974985122680664 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.04674792289733887 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.043609619140625 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.04337739944458008 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.040366411209106445 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.04035377502441406 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.03409528732299805 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.03427743911743164 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.030719280242919922 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b08.z.tm.h5... solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957312 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510743 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525583 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380287 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309859 (1.7049e-10% change) linmin: converged after 3 iterations. iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.03717660903930664 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338974 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011073 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283281438838011 (0.00210466% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 7 iterations. iteration 6: trace = 4.28326657937046 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834247 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102651 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093189 (2.35676e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283266489000646 (2.16059e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.283266488991158 (2.21502e-10% change) linmin: converged after 11 iterations. iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.04021811485290527 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060165 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164763 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 13 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016636 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309537 (3.71634e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65554e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.410102274561973 (5.74616e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546353 (3.54196e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.04340171813964844 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101673 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258617 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323376 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553309 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244495 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738526 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347481 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618732 (7.91744e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781556 (2.7502e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.53451762276076 (4.58611e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.05616903305053711 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082276254 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477331197 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234815 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379737 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189929 (0.00557828% change) linmin: converged after 16 iterations. iteration 6: trace = 4.577915173102078 (0.000900408% change) linmin: converged after 8 iterations. iteration 7: trace = 4.577900193794617 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955983 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564553 (2.15468e-05% change) linmin: converged after 10 iterations. iteration 10: trace = 4.577894647524367 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981888 (3.39512e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.577894627560067 (9.65907e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684431 (1.91275e-08% change) linmin: converged after 7 iterations. iteration 14: trace = 4.577894626586341 (2.1427e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573657 (2.77072e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.04411506652832031 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 0.7271378040313721 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015120506286621094 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 17.36160904168523 (195.027% change) linmin: converged after 7 iterations. iteration 2: trace = 7.562476866233164 (78.6318% change) linmin: converged after 5 iterations. iteration 3: trace = 6.689988797283942 (12.2433% change) linmin: converged after 4 iterations. iteration 4: trace = 6.443872873233596 (3.74781% change) linmin: converged after 7 iterations. iteration 5: trace = 6.353949184309336 (1.4053% change) linmin: converged after 4 iterations. iteration 6: trace = 6.308924004687213 (0.711137% change) linmin: converged after 5 iterations. iteration 7: trace = 6.270403953073519 (0.612434% change) linmin: converged after 4 iterations. iteration 8: trace = 6.245962911349093 (0.390545% change) linmin: converged after 4 iterations. iteration 9: trace = 6.231123952690525 (0.237859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.222648387566821 (0.136112% change) linmin: converged after 4 iterations. iteration 11: trace = 6.218459085006945 (0.0673461% change) linmin: converged after 4 iterations. iteration 12: trace = 6.215474845128731 (0.0480015% change) linmin: converged after 4 iterations. iteration 13: trace = 6.213476033896002 (0.0321638% change) linmin: converged after 4 iterations. iteration 14: trace = 6.211799733839418 (0.0269821% change) linmin: converged after 4 iterations. iteration 15: trace = 6.210166322657484 (0.0262988% change) linmin: converged after 4 iterations. iteration 16: trace = 6.208765013189226 (0.0225673% change) linmin: converged after 3 iterations. iteration 17: trace = 6.20745864212499 (0.021043% change) linmin: converged after 3 iterations. iteration 18: trace = 6.206496965898328 (0.0154935% change) linmin: converged after 4 iterations. iteration 19: trace = 6.205910205793511 (0.00945441% change) linmin: converged after 4 iterations. iteration 20: trace = 6.205612235735023 (0.00480151% change) linmin: converged after 4 iterations. iteration 21: trace = 6.205499078041604 (0.00182349% change) linmin: converged after 4 iterations. iteration 22: trace = 6.205434445474109 (0.00104154% change) linmin: converged after 4 iterations. iteration 23: trace = 6.205390974318142 (0.000700536% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205367423163241 (0.000379528% change) linmin: converged after 4 iterations. iteration 25: trace = 6.205356899945473 (0.000169583% change) linmin: converged after 4 iterations. iteration 26: trace = 6.205352210725811 (7.55673e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.205348781520899 (5.52621e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 6.205345652519164 (5.04243e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.205343137714785 (4.05264e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 6.205341359594259 (2.86547e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.205340285757588 (1.7305e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.20533940186276 (1.42441e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 6.205338538782249 (1.39087e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.205338005701472 (8.59068e-06% change) linmin: converged after 12 iterations. iteration 35: trace = 6.205337792804401 (3.43087e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 6.205337727926739 (1.04551e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.205337700663021 (4.39359e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 6.205337682075854 (2.99535e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 6.205337670235149 (1.90815e-07% change) linmin: converged after 16 iterations. iteration 40: trace = 6.205337663603182 (1.06875e-07% change) linmin: converged after 17 iterations. iteration 41: trace = 6.205337659444976 (6.70102e-08% change) linmin: converged after 2 iterations. iteration 42: trace = 6.205337656270723 (5.11536e-08% change) linmin: converged after 3 iterations. iteration 43: trace = 6.205337653590539 (4.31916e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 6.205337651674612 (3.08755e-08% change) linmin: converged after 11 iterations. iteration 45: trace = 6.205337650112214 (2.51783e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 6.205337648922311 (1.91755e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 6.205337648157427 (1.23262e-08% change) linmin: converged after 11 iterations. iteration 48: trace = 6.205337647646608 (8.23193e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 6.205337647357136 (4.66488e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 6.205337647220228 (2.2063e-09% change) linmin: converged after 7 iterations. iteration 51: trace = 6.205337647170962 (7.93921e-10% change) linmin: converged after 5 iterations. iteration 52: trace = 6.205337647152469 (2.98014e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 6.205337647143446 (1.45421e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 6.205337647136502 (1.119e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 6.20533764713018 (1.01881e-10% change) linmin: converged after 2 iterations. iteration 56: trace = 6.205337647125866 (6.95189e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.1497490406036377 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.158539024420285 (1.66275% change) linmin: converged after 4 iterations. iteration 2: trace = 6.098032659807416 (0.987329% change) linmin: converged after 4 iterations. iteration 3: trace = 6.081903131798306 (0.264854% change) linmin: converged after 4 iterations. iteration 4: trace = 6.0743767056313 (0.123828% change) linmin: converged after 4 iterations. iteration 5: trace = 6.072216470542617 (0.0355694% change) linmin: converged after 3 iterations. iteration 6: trace = 6.071224930874287 (0.0163305% change) linmin: converged after 4 iterations. iteration 7: trace = 6.070791668858648 (0.00713657% change) linmin: converged after 4 iterations. iteration 8: trace = 6.070592820913727 (0.00327554% change) linmin: converged after 3 iterations. iteration 9: trace = 6.070504835682327 (0.00144938% change) linmin: converged after 3 iterations. iteration 10: trace = 6.070476174703718 (0.000472136% change) linmin: converged after 4 iterations. iteration 11: trace = 6.070466776951306 (0.000154811% change) linmin: converged after 4 iterations. iteration 12: trace = 6.070462362656812 (7.27176e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.070460758493462 (2.64257e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 6.070460318551028 (7.24727e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 6.070460193420171 (2.06131e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 6.070460137715083 (9.17642e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 6.070460108900737 (4.74665e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.070460095276794 (2.2443e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 6.070460086895674 (1.38064e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 6.070460079863565 (1.15841e-07% change) linmin: converged after 21 iterations. iteration 21: trace = 6.070460075401996 (7.34964e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.07046007280923 (4.27112e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 6.070460071630645 (1.94151e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.070460071141092 (8.06452e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.070460070886771 (4.18948e-09% change) linmin: converged after 17 iterations. iteration 26: trace = 6.070460070770777 (1.9108e-09% change) linmin: converged after 19 iterations. iteration 27: trace = 6.070460070719212 (8.49426e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 6.070460070698457 (3.41915e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.070460070686249 (2.01105e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 6.070460070677964 (1.36479e-10% change) linmin: converged after 7 iterations. iteration 31: trace = 6.070460070673303 (7.67843e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 elapsed time for k point: 0.10065174102783203 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.879585450105075 (0.610248% change) linmin: converged after 4 iterations. iteration 2: trace = 5.864179164990823 (0.262374% change) linmin: converged after 3 iterations. iteration 3: trace = 5.859434248091473 (0.0809463% change) linmin: converged after 4 iterations. iteration 4: trace = 5.85734339458572 (0.0356899% change) linmin: converged after 3 iterations. iteration 5: trace = 5.856604562107861 (0.0126146% change) linmin: converged after 3 iterations. iteration 6: trace = 5.856366774447974 (0.00406024% change) linmin: converged after 3 iterations. iteration 7: trace = 5.856287811142867 (0.00134834% change) linmin: converged after 4 iterations. iteration 8: trace = 5.8562580469796 (0.000508244% change) linmin: converged after 3 iterations. iteration 9: trace = 5.856247804313772 (0.000174901% change) linmin: converged after 4 iterations. iteration 10: trace = 5.85624293285553 (8.3184e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.856240727525849 (3.76578e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.856239109988362 (2.76208e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.856238145767128 (1.64649e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 5.856237866910514 (4.7617e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.856237777124198 (1.53317e-06% change) linmin: converged after 9 iterations. iteration 16: trace = 5.856237751868005 (4.3127e-07% change) linmin: converged after 14 iterations. iteration 17: trace = 5.856237743987796 (1.34561e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.856237740787504 (5.46476e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.856237739089932 (2.89874e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.856237737682887 (2.40264e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.856237736546375 (1.94069e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.856237735790081 (1.29143e-08% change) linmin: converged after 12 iterations. iteration 23: trace = 5.856237735217746 (9.77308e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.856237734948408 (4.59917e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.85623773479514 (2.61718e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.856237734734318 (1.03858e-09% change) linmin: converged after 7 iterations. iteration 27: trace = 5.8562377347143 (3.4182e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.856237734707856 (1.10047e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.856237734706174 (2.87099e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 elapsed time for k point: 0.09404301643371582 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.688335296912762 (0.327793% change) linmin: converged after 4 iterations. iteration 2: trace = 5.682021917679271 (0.11105% change) linmin: converged after 3 iterations. iteration 3: trace = 5.680153605103612 (0.0328865% change) linmin: converged after 4 iterations. iteration 4: trace = 5.679577245559956 (0.0101474% change) linmin: converged after 4 iterations. iteration 5: trace = 5.679381210031131 (0.00345165% change) linmin: converged after 4 iterations. iteration 6: trace = 5.679338397146944 (0.000753833% change) linmin: converged after 3 iterations. iteration 7: trace = 5.679327009082156 (0.000200518% change) linmin: converged after 5 iterations. iteration 8: trace = 5.679321501429015 (9.69773e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.679318695796002 (4.94009e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.679317068872693 (2.86465e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.679316526996136 (9.54123e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.67931632497745 (3.5571e-06% change) linmin: converged after 24 iterations. iteration 13: trace = 5.679316252366132 (1.27852e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.679316236097754 (2.8645e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.679316231672791 (7.79137e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.679316229977098 (2.98574e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.679316229108179 (1.52997e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.679316228341648 (1.34969e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.679316227585913 (1.33068e-08% change) linmin: converged after 11 iterations. iteration 20: trace = 5.679316226988038 (1.05272e-08% change) linmin: converged after 12 iterations. iteration 21: trace = 5.679316226705491 (4.97502e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.679316226637818 (1.19157e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.679316226609474 (4.99066e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.679316226600841 (1.52009e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.679316226598069 (4.88088e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 elapsed time for k point: 0.08135390281677246 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.572181213523258 (0.241977% change) linmin: converged after 4 iterations. iteration 2: trace = 5.568600925705777 (0.0642735% change) linmin: converged after 4 iterations. iteration 3: trace = 5.567657736853494 (0.0169391% change) linmin: converged after 4 iterations. iteration 4: trace = 5.567444170135015 (0.00383592% change) linmin: converged after 6 iterations. iteration 5: trace = 5.56737762049015 (0.00119534% change) linmin: converged after 3 iterations. iteration 6: trace = 5.567363512847024 (0.000253399% change) linmin: converged after 3 iterations. iteration 7: trace = 5.567360010913097 (6.29011e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.567358378549423 (2.93203e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567357563479846 (1.46402e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567357125846613 (7.8607e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567356991067824 (2.42088e-06% change) linmin: converged after 10 iterations. iteration 12: trace = 5.56735695750588 (6.02834e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567356948843483 (1.55593e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.56735694679832 (3.67349e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.567356946093132 (1.26665e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.567356945636325 (8.2051e-09% change) linmin: converged after 23 iterations. iteration 17: trace = 5.567356945304206 (5.96547e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.567356944950225 (6.35815e-09% change) linmin: converged after 13 iterations. iteration 19: trace = 5.567356944690506 (4.66504e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.567356944584955 (1.89588e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.567356944550361 (6.21382e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567356944542208 (1.46436e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.567356944539206 (5.39222e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 elapsed time for k point: 0.07503366470336914 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.53273810674195 (0.208662% change) linmin: converged after 4 iterations. iteration 2: trace = 5.530094842108783 (0.0477864% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529443009715253 (0.0117877% change) linmin: converged after 4 iterations. iteration 4: trace = 5.529317903820751 (0.00226257% change) linmin: converged after 5 iterations. iteration 5: trace = 5.529282320152151 (0.000643547% change) linmin: converged after 3 iterations. iteration 6: trace = 5.529274170469025 (0.000147391% change) linmin: converged after 4 iterations. iteration 7: trace = 5.529272236624154 (3.49747e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.529271606108956 (1.14032e-05% change) linmin: converged after 26 iterations. iteration 9: trace = 5.529271436020496 (3.07615e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 5.529271373878374 (1.12388e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.529271337491399 (6.58079e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.529271320740965 (3.02941e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.529271315549563 (9.38894e-08% change) linmin: converged after 6 iterations. iteration 14: trace = 5.529271314495562 (1.90622e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.529271314233555 (4.73853e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.529271314081587 (2.74843e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.529271313980214 (1.83339e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.529271313876957 (1.86746e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.52927131377775 (1.79421e-09% change) linmin: converged after 13 iterations. iteration 20: trace = 5.529271313733426 (8.01618e-10% change) linmin: converged after 11 iterations. iteration 21: trace = 5.529271313721342 (2.18556e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.529271313719439 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 elapsed time for k point: 0.07184863090515137 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.538985517448269 (0.141109% change) linmin: converged after 4 iterations. iteration 2: trace = 5.534550185471011 (0.0801069% change) linmin: converged after 4 iterations. iteration 3: trace = 5.53328893111629 (0.0227913% change) linmin: converged after 4 iterations. iteration 4: trace = 5.532631711818752 (0.0118783% change) linmin: converged after 4 iterations. iteration 5: trace = 5.532342815996529 (0.00522181% change) linmin: converged after 5 iterations. iteration 6: trace = 5.53223657988561 (0.00192029% change) linmin: converged after 10 iterations. iteration 7: trace = 5.532184612246406 (0.000939365% change) linmin: converged after 5 iterations. iteration 8: trace = 5.532165289409572 (0.000349281% change) linmin: converged after 6 iterations. iteration 9: trace = 5.53215699790288 (0.000149878% change) linmin: converged after 5 iterations. iteration 10: trace = 5.532154378963375 (4.73403e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.532153853741139 (9.49399e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.532153673436557 (3.25921e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.53215362460911 (8.82612e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.532153611036561 (2.45339e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.532153607469195 (6.44842e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.532153606672814 (1.43955e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.53215360642539 (4.47248e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.532153606309885 (2.08788e-09% change) linmin: converged after 7 iterations. iteration 19: trace = 5.532153606238235 (1.29516e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.532153606171856 (1.19987e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 5.532153606115745 (1.01426e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.532153606087498 (5.10608e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.532153606073365 (2.55465e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.53215360606891 (8.05311e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 elapsed time for k point: 0.07804155349731445 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.545510165467671 (0.156486% change) linmin: converged after 3 iterations. iteration 2: trace = 5.53970135058995 (0.104803% change) linmin: converged after 4 iterations. iteration 3: trace = 5.537423366333638 (0.0411295% change) linmin: converged after 4 iterations. iteration 4: trace = 5.535869635928369 (0.0280627% change) linmin: converged after 4 iterations. iteration 5: trace = 5.535105335921414 (0.0138073% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53483989949765 (0.00479562% change) linmin: converged after 4 iterations. iteration 7: trace = 5.534735453565166 (0.00188708% change) linmin: converged after 4 iterations. iteration 8: trace = 5.534709296156107 (0.000472606% change) linmin: converged after 4 iterations. iteration 9: trace = 5.534699673866182 (0.000173854% change) linmin: converged after 8 iterations. iteration 10: trace = 5.534696883149076 (5.04222e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.534696297656427 (1.05786e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.534696086069314 (3.82292e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.534696023141974 (1.13696e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.534696003432254 (3.56112e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.534695997023212 (1.15798e-07% change) linmin: converged after 12 iterations. iteration 16: trace = 5.534695995144546 (3.39434e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.534695994510907 (1.14485e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.534695994207872 (5.47519e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.534695994030399 (3.20656e-09% change) linmin: converged after 12 iterations. iteration 20: trace = 5.534695993871264 (2.87522e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.534695993784569 (1.56638e-09% change) linmin: converged after 7 iterations. iteration 22: trace = 5.534695993753224 (5.66347e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.534695993742776 (1.88766e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.534695993739176 (6.50404e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 elapsed time for k point: 0.07812023162841797 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.539951339880242 (0.178088% change) linmin: converged after 4 iterations. iteration 2: trace = 5.532912895847705 (0.12713% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529976673731458 (0.0530824% change) linmin: converged after 4 iterations. iteration 4: trace = 5.528255687466732 (0.0311259% change) linmin: converged after 4 iterations. iteration 5: trace = 5.527477327141118 (0.0140807% change) linmin: converged after 3 iterations. iteration 6: trace = 5.527260627433148 (0.00392049% change) linmin: converged after 4 iterations. iteration 7: trace = 5.527174950010757 (0.0015501% change) linmin: converged after 4 iterations. iteration 8: trace = 5.527154244268933 (0.000374618% change) linmin: converged after 4 iterations. iteration 9: trace = 5.527144578125395 (0.000174885% change) linmin: converged after 2 iterations. iteration 10: trace = 5.527141353729434 (5.83375e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.527140472049874 (1.59518e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.527140149104516 (5.8429e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.527140063332194 (1.55184e-06% change) linmin: converged after 16 iterations. iteration 14: trace = 5.527140039497723 (4.31226e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.527140030767502 (1.57952e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.527140027391178 (6.10863e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.527140025708313 (3.04473e-08% change) linmin: converged after 14 iterations. iteration 18: trace = 5.527140024739849 (1.7522e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 5.52714002424971 (8.86785e-09% change) linmin: converged after 15 iterations. iteration 20: trace = 5.527140024034408 (3.89537e-09% change) linmin: converged after 16 iterations. iteration 21: trace = 5.527140023982145 (9.45556e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.527140023969887 (2.2179e-10% change) linmin: converged after 15 iterations. iteration 23: trace = 5.527140023966947 (5.31897e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 elapsed time for k point: 0.07517600059509277 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.522657858711453 (0.154096% change) linmin: converged after 4 iterations. iteration 2: trace = 5.51765344023986 (0.0906572% change) linmin: converged after 4 iterations. iteration 3: trace = 5.515894145978647 (0.0318899% change) linmin: converged after 4 iterations. iteration 4: trace = 5.515136110127697 (0.0137437% change) linmin: converged after 5 iterations. iteration 5: trace = 5.514757022135095 (0.00687383% change) linmin: converged after 12 iterations. iteration 6: trace = 5.514652113037982 (0.00190235% change) linmin: converged after 4 iterations. iteration 7: trace = 5.514602232259413 (0.000904518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.514589888306563 (0.000223841% change) linmin: converged after 5 iterations. iteration 9: trace = 5.514584139299159 (0.000104251% change) linmin: converged after 5 iterations. iteration 10: trace = 5.514582298956496 (3.33723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.514581753925765 (9.88345e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.51458155129702 (3.67442e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.514581501626841 (9.00706e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.514581491384362 (1.85734e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.514581488005883 (6.12645e-08% change) linmin: converged after 37 iterations. iteration 16: trace = 5.514581486953495 (1.90837e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.514581486665204 (5.2278e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.514581486577281 (1.59437e-09% change) linmin: converged after 8 iterations. iteration 19: trace = 5.514581486551829 (4.6155e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.514581486536885 (2.70983e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.51458148652924 (1.3864e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.514581486526159 (5.58717e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 elapsed time for k point: 0.07211613655090332 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.513146354883722 (0.11801% change) linmin: converged after 3 iterations. iteration 2: trace = 5.510121677342044 (0.0548781% change) linmin: converged after 4 iterations. iteration 3: trace = 5.509211811143087 (0.016514% change) linmin: converged after 4 iterations. iteration 4: trace = 5.508907839981763 (0.00551766% change) linmin: converged after 3 iterations. iteration 5: trace = 5.508737669131319 (0.00308906% change) linmin: converged after 4 iterations. iteration 6: trace = 5.508683639257633 (0.000980808% change) linmin: converged after 4 iterations. iteration 7: trace = 5.50865412206727 (0.000535832% change) linmin: converged after 4 iterations. iteration 8: trace = 5.50864669288852 (0.000134864% change) linmin: converged after 6 iterations. iteration 9: trace = 5.508643590274295 (5.63226e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.508642644310975 (1.71723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.50864236513062 (5.06804e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.508642262323828 (1.86628e-06% change) linmin: converged after 8 iterations. iteration 13: trace = 5.50864223788113 (4.43715e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.508642233589994 (7.78982e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.508642232550772 (1.88653e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.508642232232834 (5.77163e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.5086422321571 (1.37482e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.508642232135503 (3.92056e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.508642232131606 (7.07332e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 elapsed time for k point: 0.06235837936401367 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.55058118313115 (0.389346% change) linmin: converged after 4 iterations. iteration 2: trace = 5.542766757881417 (0.140885% change) linmin: converged after 4 iterations. iteration 3: trace = 5.540530252342469 (0.0403581% change) linmin: converged after 4 iterations. iteration 4: trace = 5.539782553670534 (0.013496% change) linmin: converged after 4 iterations. iteration 5: trace = 5.539265295830601 (0.00933759% change) linmin: converged after 4 iterations. iteration 6: trace = 5.539067918395565 (0.00356331% change) linmin: converged after 4 iterations. iteration 7: trace = 5.538979756672791 (0.00159165% change) linmin: converged after 5 iterations. iteration 8: trace = 5.538958695418 (0.000380238% change) linmin: converged after 10 iterations. iteration 9: trace = 5.538951634380076 (0.00012748% change) linmin: converged after 5 iterations. iteration 10: trace = 5.538948975756819 (4.79987e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 5.538948192460806 (1.41416e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.538947835307317 (6.44804e-06% change) linmin: converged after 8 iterations. iteration 13: trace = 5.538947686577423 (2.68517e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.538947636561917 (9.02978e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.538947618030138 (3.34572e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538947613905355 (7.44687e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.538947613187684 (1.29568e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.538947612989022 (3.58665e-09% change) linmin: converged after 10 iterations. iteration 19: trace = 5.538947612948638 (7.29086e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538947612937269 (2.0525e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.538947612933673 (6.49263e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 elapsed time for k point: 0.06890177726745605 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.647301200611738 (0.329684% change) linmin: converged after 4 iterations. iteration 2: trace = 5.640927549608877 (0.112926% change) linmin: converged after 4 iterations. iteration 3: trace = 5.638790479454456 (0.0378923% change) linmin: converged after 4 iterations. iteration 4: trace = 5.637897868749102 (0.0158311% change) linmin: converged after 4 iterations. iteration 5: trace = 5.637265321496212 (0.0112202% change) linmin: converged after 4 iterations. iteration 6: trace = 5.637035875264222 (0.00407025% change) linmin: converged after 4 iterations. iteration 7: trace = 5.636936166368233 (0.00176883% change) linmin: converged after 3 iterations. iteration 8: trace = 5.636905106755414 (0.000551003% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636896042414138 (0.000160804% change) linmin: converged after 4 iterations. iteration 10: trace = 5.636893338294144 (4.79718e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.63689288185743 (8.09731e-06% change) linmin: converged after 20 iterations. iteration 12: trace = 5.636892759768465 (2.16589e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.636892722735103 (6.56982e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.636892712210973 (1.86701e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.636892708239743 (7.04507e-08% change) linmin: converged after 29 iterations. iteration 16: trace = 5.636892706830092 (2.50076e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 5.636892706179626 (1.15394e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 5.636892705778898 (7.10903e-09% change) linmin: converged after 18 iterations. iteration 19: trace = 5.636892705608984 (3.01432e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.636892705551562 (1.01869e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.636892705530972 (3.65268e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.636892705526574 (7.80263e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 elapsed time for k point: 0.07238912582397461 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.818503972293691 (0.323359% change) linmin: converged after 4 iterations. iteration 2: trace = 5.811864946631749 (0.114167% change) linmin: converged after 3 iterations. iteration 3: trace = 5.80959695559026 (0.0390311% change) linmin: converged after 4 iterations. iteration 4: trace = 5.808664036811325 (0.0160595% change) linmin: converged after 4 iterations. iteration 5: trace = 5.808059684314398 (0.0104049% change) linmin: converged after 4 iterations. iteration 6: trace = 5.807780352579808 (0.0048095% change) linmin: converged after 4 iterations. iteration 7: trace = 5.807591816899011 (0.00324631% change) linmin: converged after 4 iterations. iteration 8: trace = 5.807497036546474 (0.00163202% change) linmin: converged after 6 iterations. iteration 9: trace = 5.807463230771279 (0.000582107% change) linmin: converged after 4 iterations. iteration 10: trace = 5.807448604624893 (0.000251851% change) linmin: converged after 4 iterations. iteration 11: trace = 5.807443106317815 (9.46769e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.807439494876415 (6.21864e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.807437481552949 (3.4668e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.807436670284365 (1.39695e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.807436289960402 (6.54891e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.807436162892385 (2.18802e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.807436126334485 (6.29502e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.807436116187895 (1.74717e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.807436113287419 (4.99442e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.807436112416773 (1.49919e-08% change) linmin: converged after 8 iterations. iteration 21: trace = 5.807436112088626 (5.65047e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.807436111990084 (1.69682e-09% change) linmin: converged after 16 iterations. iteration 23: trace = 5.807436111928493 (1.06055e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.807436111892697 (6.16387e-10% change) linmin: converged after 10 iterations. iteration 25: trace = 5.807436111861503 (5.37134e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.807436111844972 (2.84648e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 5.807436111839939 (8.667e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 elapsed time for k point: 0.0878603458404541 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.058568816406366 (0.404469% change) linmin: converged after 4 iterations. iteration 2: trace = 6.047217423444727 (0.187537% change) linmin: converged after 4 iterations. iteration 3: trace = 6.0428693536347 (0.0719279% change) linmin: converged after 4 iterations. iteration 4: trace = 6.041115569071303 (0.0290266% change) linmin: converged after 3 iterations. iteration 5: trace = 6.040281476957603 (0.0138079% change) linmin: converged after 3 iterations. iteration 6: trace = 6.039949783541457 (0.00549151% change) linmin: converged after 3 iterations. iteration 7: trace = 6.039732337732385 (0.00360019% change) linmin: converged after 4 iterations. iteration 8: trace = 6.039536476498154 (0.00324293% change) linmin: converged after 5 iterations. iteration 9: trace = 6.039366429150508 (0.00281561% change) linmin: converged after 4 iterations. iteration 10: trace = 6.039238347543021 (0.0021208% change) linmin: converged after 3 iterations. iteration 11: trace = 6.039190527154679 (0.000791831% change) linmin: converged after 4 iterations. iteration 12: trace = 6.039166804291315 (0.000392816% change) linmin: converged after 4 iterations. iteration 13: trace = 6.039155082215229 (0.000194101% change) linmin: converged after 4 iterations. iteration 14: trace = 6.039151356031256 (6.17004e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.039149892355141 (2.42365e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 6.039149291361488 (9.95163e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 6.039148998716701 (4.84579e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.039148870832841 (2.11758e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 6.039148806998382 (1.05701e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 6.039148770819057 (5.9908e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.039148755038091 (2.61311e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.039148750226732 (7.96695e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.039148748437229 (2.96317e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.039148747735014 (1.16277e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 6.039148747103849 (1.04512e-08% change) linmin: converged after 13 iterations. iteration 26: trace = 6.039148746498664 (1.0021e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 6.039148745995293 (8.33513e-09% change) linmin: converged after 27 iterations. iteration 28: trace = 6.039148745700733 (4.87751e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 6.039148745569342 (2.17565e-09% change) linmin: converged after 9 iterations. iteration 30: trace = 6.039148745510182 (9.79605e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 6.039148745490022 (3.33834e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 6.039148745481262 (1.45055e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 6.03914874547851 (4.55623e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 elapsed time for k point: 0.10661005973815918 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. iteration 1: trace = 6.298730915271923 (0.895356% change) linmin: converged after 5 iterations. iteration 2: trace = 6.245437546859799 (0.849692% change) linmin: converged after 4 iterations. iteration 3: trace = 6.223334153898405 (0.35454% change) linmin: converged after 4 iterations. iteration 4: trace = 6.211975635419504 (0.182682% change) linmin: converged after 4 iterations. iteration 5: trace = 6.208144497511515 (0.0616924% change) linmin: converged after 3 iterations. iteration 6: trace = 6.206836175369097 (0.0210765% change) linmin: converged after 4 iterations. iteration 7: trace = 6.206168982919507 (0.0107499% change) linmin: converged after 4 iterations. iteration 8: trace = 6.205804637845149 (0.00587086% change) linmin: converged after 4 iterations. iteration 9: trace = 6.205532505964936 (0.00438521% change) linmin: converged after 4 iterations. iteration 10: trace = 6.205428325423106 (0.00167885% change) linmin: converged after 4 iterations. iteration 11: trace = 6.205403953115949 (0.000392759% change) linmin: converged after 4 iterations. iteration 12: trace = 6.205389695901296 (0.000229755% change) linmin: converged after 8 iterations. iteration 13: trace = 6.205378818817473 (0.000175285% change) linmin: converged after 4 iterations. iteration 14: trace = 6.205369022899885 (0.000157862% change) linmin: converged after 4 iterations. iteration 15: trace = 6.205362148408089 (0.000110783% change) linmin: converged after 5 iterations. iteration 16: trace = 6.205354260892521 (0.000127108% change) linmin: converged after 5 iterations. iteration 17: trace = 6.205347521566777 (0.000108605% change) linmin: converged after 5 iterations. iteration 18: trace = 6.205343387171193 (6.66264e-05% change) linmin: converged after 6 iterations. iteration 19: trace = 6.205340291032243 (4.98947e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 6.205338895537121 (2.24886e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 6.205338348830022 (8.81027e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 6.205338035122779 (5.05544e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 6.205337843118102 (3.09419e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 6.205337736263875 (1.72197e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 6.205337681834897 (8.77132e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.205337658438697 (3.77033e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.20533765017481 (1.33174e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 6.205337648379762 (2.89275e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 6.20533764781293 (9.1346e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.205337647526114 (4.62208e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.205337647305309 (3.5583e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 6.205337647187878 (1.89243e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.205337647139043 (7.86979e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 6.205337647127346 (1.8849e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 6.205337647122201 (8.2916e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.09411120414733887 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675777 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4730722390280759 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714032 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839753 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.7676614799039002 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191522 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.865194814441527 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594299 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8652307994936863 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.033423091041983 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.021367669109369 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575178 at Vector3<0.0, 0.0, 0.0> Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.1168107191255356 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714032) to band 3 (0.5631505198559037), 0.007916844195590661% Gap from band 4 (0.8214230044191522) to band 5 (0.865194814441527), 5.190483526605094% total elapsed time for run: 1.3710074424743652 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors Read Bloch wavevector (0, 0, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 ./tmp/meepREy4kN/test_tri_rods-0: 2.11s /tmp/meepREy4kN/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014548301696777344 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.06618070602416992 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.06033587455749512 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.05080246925354004 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.04791831970214844 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.04458332061767578 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.044484615325927734 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.041573286056518555 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.04140472412109375 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.03475499153137207 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.03496956825256348 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.03137016296386719 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861228 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957313 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510742 (0.000784095% change) linmin: converged after 4 iterations. iteration 5: trace = 4.197854429378012 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525582 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380288 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.197854050317017 (2.34222e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.197854050309857 (1.70554e-10% change) linmin: converged after 15 iterations. iteration 11: trace = 4.1978540503093 (1.3266e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.037930965423583984 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338976 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283281438838009 (0.00210466% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283266579370458 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834246 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102653 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093188 (2.35676e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000646 (2.16055e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.28326648899116 (2.21481e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.283266488990684 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.04100298881530762 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060166 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164766 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 6 iterations. iteration 5: trace = 4.410114427040233 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016632 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309542 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815384 (5.65556e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561977 (5.74606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.410102274546349 (3.54377e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.410102274545239 (2.51544e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.044402122497558594 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101822 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.54456039825868 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323391 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319922 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738525 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347479 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618735 (7.91743e-08% change) linmin: converged after 10 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781561 (2.75014e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.534517622760761 (4.5869e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.534517622757202 (7.84853e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.05785512924194336 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082274213 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330618 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234686 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379698 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189922 (0.00557828% change) linmin: converged after 6 iterations. iteration 6: trace = 4.577915173102074 (0.000900408% change) linmin: converged after 6 iterations. iteration 7: trace = 4.577900193795435 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955969 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564437 (2.15468e-05% change) linmin: converged after 9 iterations. iteration 10: trace = 4.577894647524328 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981878 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560065 (9.65905e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577894626684427 (1.91275e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.577894626586346 (2.14248e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573654 (2.77247e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894626572483 (2.55711e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 .. ====================================================================== FAIL: test_diamond (__main__.TestModeSolver.test_diamond) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 905, in test_diamond self.compare_h5_files(ref_path, res_path) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 236, in compare_h5_files compare_arrays(self, ref[k][()], res[k][()], tol=tol) File "/build/reproducible-path/meep-1.25.0/python/tests/utils.py", line 17, in compare_arrays test_instance.assertLess(diff, tol) AssertionError: 0.6768966296099591 not less than 0.001 ====================================================================== FAIL: test_epsilon_input_file (__main__.TestModeSolver.test_epsilon_input_file) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 1743, in test_epsilon_input_file self.check_gap_list(expected_gap_list, ms.gap_list) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 212, in check_gap_list self.check_freqs(expected_gap_list, result) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 209, in check_freqs self.assertAlmostEqual(r, e, places=3) AssertionError: 1.4651880980149015 != 1.469257717113039 within 3 places (0.004069619098137522 difference) ====================================================================== FAIL: test_hole_slab (__main__.TestModeSolver.test_hole_slab) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 934, in test_hole_slab self.compare_h5_files(ref_path, res_path) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 234, in compare_h5_files self.assertEqual(ref[k][()], res[k][()]) AssertionError: b'h field, kpoint 1, band 9, freq=0.592619' != b'h field, kpoint 1, band 9, freq=0.59253' ====================================================================== FAIL: test_output_efield_z (__main__.TestModeSolver.test_output_efield_z) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 570, in test_output_efield_z self.compare_h5_files(ref_path, res_path) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 236, in compare_h5_files compare_arrays(self, ref[k][()], res[k][()], tol=tol) File "/build/reproducible-path/meep-1.25.0/python/tests/utils.py", line 17, in compare_arrays test_instance.assertLess(diff, tol) AssertionError: 0.001622068955755336 not less than 0.001 ====================================================================== FAIL: test_strip (__main__.TestModeSolver.test_strip) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 1193, in test_strip self.assertAlmostEqual(e, r, places=3) AssertionError: -0.9945407488966614 != -0.9950905165813099 within 3 places (0.0005497676846484278 difference) ---------------------------------------------------------------------- Ran 47 tests in 262.204s FAILED (failures=5) elapsed time for k point: 0.04467511177062988 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797745 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585141 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797745) to band 4 (0.5932960873585141), 5.674064623695046% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 0.7268800735473633 done /tmp/meepREy4kN/test_triangular_lattice-0: 0.73s /tmp/meepREy4kN/test_update_band_range_data-0 ======================== /tmp/meepREy4kN/test_update_band_range_data-0: 0.00s Elapsed run time = 262.2308 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_multilevel_atom ================================ Matplotlib created a temporary cache directory at /tmp/matplotlib-62qog9rq because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... time for choose_chunkdivision = 3.50475e-05 s Working in 1D dimensions. Computational cell is 0 x 0 x 3 with resolution 40 block, center = (0,0,-1) size (1e+20,1e+20,1) axes (1,0,0), (0,1,0), (0,0,1) dielectric constant epsilon diagonal = (2.25,2.25,2.25) time for set_epsilon = 8.70228e-05 s multilevel atom susceptibility ----------- Meep progress: 3000.4875/7000.0 = 42.9% done in 4.0s, 5.3s to go on time step 240039 (time=3000.49), 1.66641e-05 s/step Meep progress: 6001.725/7000.0 = 85.7% done in 8.0s, 1.3s to go on time step 480141 (time=6001.76), 1.66597e-05 s/step F ====================================================================== FAIL: test_multilevel_atom (__main__.TestMultiLevelAtom.test_multilevel_atom) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_multilevel_atom.py", line 77, in test_multilevel_atom sim.run(mp.at_end(check_field), until=7000) File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4452, in run self._run_until(until, step_funcs) File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 2643, in _run_until _eval_step_func(self, func, "finish") File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4918, in _eval_step_func func(sim, todo) File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4999, in _end _eval_step_func(sim, func, "step") File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4916, in _eval_step_func func(sim) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_multilevel_atom.py", line 73, in check_field self.assertAlmostEqual(fp, -2.7110969214986387) AssertionError: -0.04452311652305546 != -2.7110969214986387 within 7 places (2.666573804975583 difference) ---------------------------------------------------------------------- Ran 1 test in 9.333s FAILED (failures=1) Elapsed run time = 9.3348 s FAIL tests/test_multilevel_atom.py (exit status: 1) FAIL: tests/test_refl_angular ============================= Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_refl_angular.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_refl_angular.py (exit status: 1) FAIL: tests/test_ring ===================== Matplotlib created a temporary cache directory at /tmp/matplotlib-44b8qz88 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... Halving computational cell along direction y time for choose_chunkdivision = 0.000152826 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) radius 2, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (11.56,11.56,11.56) cylinder, center = (0,0,0) radius 1, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (1,1,1) time for set_epsilon = 0.025064 s ----------- Meep: using output directory '/tmp/meepxrUs6c' creating output file "/tmp/meepxrUs6c/test_ring-eps-000000.00.h5"... F ====================================================================== FAIL: test_harminv (__main__.TestRing.test_harminv) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_ring.py", line 62, in test_harminv self.assertAlmostEqual(m1.amp.real, -0.00304951667301, places=4) AssertionError: -0.0031020183525550154 != -0.00304951667301 within 4 places (5.250167954501525e-05 difference) ---------------------------------------------------------------------- Ran 1 test in 1.185s FAILED (failures=1) harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error harminv0:, 0.11809279297855063, -0.0007453553660444158, 79.21912040780389, 0.0034570184040227086, -0.0031020183525550154-0.0015259286962907485i, 6.147470413837138e-07+0.0i harminv0:, 0.1471719480975986, -0.00021479706222625954, 342.5837080177869, 0.028154264448286656, 0.018768129414637656+0.020986184143370865i, 3.799705979694711e-07+0.0i harminv0:, 0.17525083979308353, -4.9446086493087175e-05, 1772.1406507831973, 0.007182967821382197, -0.000788530544160479-0.00713955504943677i, 7.57711145955344e-07+0.0i run 0 finished at t = 400.0 (8000 timesteps) Elapsed run time = 1.1865 s FAIL tests/test_ring.py (exit status: 1) FAIL: tests/test_special_kz =========================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_special_kz.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_special_kz.py (exit status: 1) ## check whether testsuite runs everywhere #make check; \ #cat python/test-suite.log make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' create-stamp debian/debhelper-build-stamp dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' dh_installchangelogs NEWS.md dh_auto_install make -j1 install DESTDIR=/build/reproducible-path/meep-1.25.0/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' Making install in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make install-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making install in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' make[6]: Nothing to be done for 'install-exec-am'. make[6]: Nothing to be done for 'install-data-am'. make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.30.0.0 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.30.0.0 libmeep.so.30 || { rm -f libmeep.so.30 && ln -s libmeep.so.30.0.0 libmeep.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.30.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.30.0.0 libmeep.so; }; }) libtool: install: /usr/bin/install -c .libs/libmeep.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.la libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include' /usr/bin/install -c -m 644 meep.hpp '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 meep/mympi.hpp meep/vec.hpp meep/meep-config.h meepgeom.hpp material_data.hpp adjust_verbosity.hpp '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' Making install in tests make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[4]: Nothing to be done for 'install-exec-am'. make[4]: Nothing to be done for 'install-data-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' Making install in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/share/meep' /usr/bin/install -c -m 644 meep.scm meep-enums.scm casimir.scm materials.scm '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/share/meep' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making install in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: warning: relinking 'libpympb.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.30.0.0 libpympb.so.30 || { rm -f libpympb.so.30 && ln -s libpympb.so.30.0.0 libpympb.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.30.0.0 libpympb.so || { rm -f libpympb.so && ln -s libpympb.so.30.0.0 libpympb.so; }; }) libtool: install: /usr/bin/install -c .libs/libpympb.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.la libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 pympb.hpp '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' Making install in python make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' libtool: warning: relinking '_meep.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep && { ln -s -f _meep.so.30.0.0 _meep.so.30 || { rm -f _meep.so.30 && ln -s _meep.so.30.0.0 _meep.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep && { ln -s -f _meep.so.30.0.0 _meep.so || { rm -f _meep.so && ln -s _meep.so.30.0.0 _meep.so; }; }) libtool: install: /usr/bin/install -c .libs/_meep.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.la libtool: install: /usr/bin/install -c .libs/_meep.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.12/site-packages/meep' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/adjoint' /usr/bin/install -c -m 644 ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/wrapper.py ./adjoint/utils.py '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/adjoint' Byte-compiling python modules... __init__.pybasis.pyobjective.pyoptimization_problem.pyfilters.pyfilter_source.pyconnectivity.pywrapper.pyutils.py Byte-compiling python modules (optimized versions) ... __init__.pybasis.pyobjective.pyoptimization_problem.pyfilters.pyfilter_source.pyconnectivity.pywrapper.pyutils.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' /usr/bin/install -c -m 644 __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' Byte-compiling python modules... __init__.pybinary_partition_utils.pychunk_balancer.pygeom.pysimulation.pysource.pytiming_measurements.pyvisualization.pymaterials.pyverbosity_mgr.py Byte-compiling python modules (optimized versions) ... __init__.pybinary_partition_utils.pychunk_balancer.pygeom.pysimulation.pysource.pytiming_measurements.pyvisualization.pymaterials.pyverbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.30 -o .libs/_mpb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb && { ln -s -f _mpb.so.30.0.0 _mpb.so.30 || { rm -f _mpb.so.30 && ln -s _mpb.so.30.0.0 _mpb.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb && { ln -s -f _mpb.so.30.0.0 _mpb.so || { rm -f _mpb.so && ln -s _mpb.so.30.0.0 _mpb.so; }; }) libtool: install: /usr/bin/install -c .libs/_mpb.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.la libtool: install: /usr/bin/install -c .libs/_mpb.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.12/site-packages/meep/mpb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' /usr/bin/install -c -m 644 mpb.py solver.py mpb_data.py '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' Byte-compiling python modules... mpb.pysolver.pympb_data.py Byte-compiling python modules (optimized versions) ... mpb.pysolver.pympb_data.py make install-data-hook make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/python' mv /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/mpb.py /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/__init__.py make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.25.0' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0' make[4]: Nothing to be done for 'install-exec-am'. /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig' /usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.25.0' rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.la rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.la rm -f -f debian/tmp/usr/lib/*/libpympb.la rm -f -f debian/tmp/usr/lib/*/libmeep.la rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/adjoint/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/mpb/__pycache__/ make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' dh_install dh_installdocs dh_installchangelogs dh_installman dh_lintian dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dh_strip -a dh_makeshlibs -a dh_shlibdeps -a dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.30.0.0 contains an unresolvable reference to symbol PyUnicode_AsUTF8AndSize: it's probably a plugin dpkg-shlibdeps: warning: 97 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.30.0.0 contains an unresolvable reference to symbol PyFunction_Type: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) dh_installdeb dh_gencontrol dh_md5sums dh_builddeb dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.25.0-4_arm64.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.25.0-4_arm64.deb'. dpkg-deb: building package 'meep' in '../meep_1.25.0-4_arm64.deb'. dpkg-deb: building package 'libmeep30-dbgsym' in '../libmeep30-dbgsym_1.25.0-4_arm64.deb'. dpkg-deb: building package 'libmeep30' in '../libmeep30_1.25.0-4_arm64.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.25.0-4_arm64.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.25.0-4_arm64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.25.0-4_arm64.buildinfo dpkg-genchanges --build=binary -O../meep_1.25.0-4_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/2107519 and its subdirectories I: Current time: Fri Sep 27 20:28:12 -12 2024 I: pbuilder-time-stamp: 1727512092 Sat Sep 28 08:28:14 UTC 2024 I: 1st build successful. Starting 2nd build on remote node codethink03-arm64.debian.net. Sat Sep 28 08:28:14 UTC 2024 I: Preparing to do remote build '2' on codethink03-arm64.debian.net. Sat Sep 28 08:28:14 UTC 2024 - checking /var/lib/jenkins/offline_nodes if codethink03-arm64.debian.net is marked as down. Sat Sep 28 08:28:14 UTC 2024 - checking via ssh if codethink03-arm64.debian.net is up. removed '/tmp/read-only-fs-test-VSQ4jh' ==================================================================================== Fri Oct 31 14:51:14 UTC 2025 - running /srv/jenkins/bin/reproducible_build.sh (for job /srv/jenkins/bin/reproducible_build.sh) on codethink03-arm64, called using "2 meep trixie /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH 1.25.0-4" as arguments. Fri Oct 31 14:51:14 UTC 2025 - actually running "reproducible_build.sh" (md5sum 79f74068471242981be9b3b00196cbfb) as "/tmp/jenkins-script-N3GOTtU3" $ git clone https://salsa.debian.org/qa/jenkins.debian.net.git ; more CONTRIBUTING Fri Oct 31 14:51:14 UTC 2025 I: Downloading source for trixie/meep=1.25.0-4 Reading package lists... NOTICE: 'meep' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/alteholz/meep.git Please use: git clone https://salsa.debian.org/alteholz/meep.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 38.0 MB of source archives. Get:1 http://deb.debian.org/debian trixie/main meep 1.25.0-4 (dsc) [2471 B] Get:2 http://deb.debian.org/debian trixie/main meep 1.25.0-4 (tar) [37.9 MB] Get:3 http://deb.debian.org/debian trixie/main meep 1.25.0-4 (diff) [144 kB] Fetched 38.0 MB in 0s (201 MB/s) Download complete and in download only mode Reading package lists... NOTICE: 'meep' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/alteholz/meep.git Please use: git clone https://salsa.debian.org/alteholz/meep.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 38.0 MB of source archives. Get:1 http://deb.debian.org/debian trixie/main meep 1.25.0-4 (dsc) [2471 B] Get:2 http://deb.debian.org/debian trixie/main meep 1.25.0-4 (tar) [37.9 MB] Get:3 http://deb.debian.org/debian trixie/main meep 1.25.0-4 (diff) [144 kB] Fetched 38.0 MB in 0s (201 MB/s) Download complete and in download only mode ============================================================================= Re-Building meep in trixie on arm64 on codethink03-arm64 now. Date: Fri Oct 31 14:51:14 GMT 2025 Date UTC: Fri Oct 31 14:51:14 UTC 2025 ============================================================================= ++ mktemp -t pbuilderrc_XXXX --tmpdir=/srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH + local TMPCFG=/srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/pbuilderrc_2o7y + case ${ARCH} in + case $ARCH in + locale=nl_BE + language=nl + case "${SUITE}" in + reproducible_buildflags=+all + extra_deb_build_options= + case "${SRCPACKAGE}" in + cat + echo BUILDDIR=/build/reproducible-path + '[' meep = debian-installer -o meep = debian-installer-netboot-images ']' + pbuilder_options=() + local pbuilder_options + DEBBUILDOPTS=-b + BINARYTARGET= + '[' meep = u-boot ']' + case "${SRCPACKAGE}" in + PBUILDERTIMEOUT=24 + local PRESULT=0 + sudo timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/pbuilderrc_2o7y --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b2 --logfile b2/build.log meep_1.25.0-4.dsc W: /root/.pbuilderrc does not exist I: Logging to b2/build.log I: pbuilder: network access will be disabled during build I: Current time: Sat Nov 1 04:51:15 +14 2025 I: pbuilder-time-stamp: 1761922275 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [meep_1.25.0-4.dsc] I: copying [./meep_1.25.0.orig.tar.gz] I: copying [./meep_1.25.0-4.debian.tar.xz] I: Extracting source gpgv: Signature made Sun Jul 28 11:33:37 2024 gpgv: using RSA key 6201FBFFDBBDE07822EABB9696FCAC0D387B5847 gpgv: issuer "debian@alteholz.de" gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./meep_1.25.0-4.dsc: no acceptable signature found dpkg-source: info: extracting meep in meep-1.25.0 dpkg-source: info: unpacking meep_1.25.0.orig.tar.gz dpkg-source: info: unpacking meep_1.25.0-4.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying python-distutils.patch dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/D01_modify_environment starting debug: Running on codethink03-arm64. I: Changing host+domainname to test build reproducibility I: Adding a custom variable just for the fun of it... I: Changing /bin/sh to bash '/bin/sh' -> '/bin/bash' lrwxrwxrwx 1 root root 9 Oct 31 14:51 /bin/sh -> /bin/bash I: Setting pbuilder2's login shell to /bin/bash I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/D01_modify_environment finished I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/D02_print_environment starting I: set BASH=/bin/sh BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath BASH_ALIASES=() BASH_ARGC=() BASH_ARGV=() BASH_CMDS=() BASH_LINENO=([0]="12" [1]="0") BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") BASH_VERSINFO=([0]="5" [1]="2" [2]="32" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") BASH_VERSION='5.2.32(1)-release' BUILDDIR=/build/reproducible-path BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' BUILDUSERNAME=pbuilder2 BUILD_ARCH=arm64 DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' DIRSTACK=() DISTRIBUTION=trixie EUID=0 FUNCNAME=([0]="Echo" [1]="main") GROUPS=() HOME=/root HOSTNAME=i-capture-the-hostname HOSTTYPE=aarch64 HOST_ARCH=arm64 IFS=' ' INVOCATION_ID=fc3b8f035ad5459e83430bb3bc7cd8e2 LANG=C LANGUAGE=nl_BE:nl LC_ALL=C MACHTYPE=aarch64-unknown-linux-gnu MAIL=/var/mail/root OPTERR=1 OPTIND=1 OSTYPE=linux-gnu PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path PBCURRENTCOMMANDLINEOPERATION=build PBUILDER_OPERATION=build PBUILDER_PKGDATADIR=/usr/share/pbuilder PBUILDER_PKGLIBDIR=/usr/lib/pbuilder PBUILDER_SYSCONFDIR=/etc PIPESTATUS=([0]="0") POSIXLY_CORRECT=y PPID=3798377 PS4='+ ' PWD=/ SHELL=/bin/bash SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix SHLVL=3 SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/pbuilderrc_2o7y --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b2 --logfile b2/build.log meep_1.25.0-4.dsc' SUDO_GID=109 SUDO_UID=104 SUDO_USER=jenkins TERM=unknown TZ=/usr/share/zoneinfo/Etc/GMT-14 UID=0 USER=root _='I: set' http_proxy=http://192.168.101.4:3128 I: uname -a Linux i-capture-the-hostname 6.1.0-25-cloud-arm64 #1 SMP Debian 6.1.106-3 (2024-08-26) aarch64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Aug 4 2024 /bin -> usr/bin I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: arm64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19895 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on quilt; however: Package quilt is not installed. pbuilder-satisfydepends-dummy depends on libctl-dev (>= 4.5.0-8); however: Package libctl-dev is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on libharminv-dev (>= 1.4.1); however: Package libharminv-dev is not installed. pbuilder-satisfydepends-dummy depends on zlib1g-dev; however: Package zlib1g-dev is not installed. pbuilder-satisfydepends-dummy depends on libfftw3-dev; however: Package libfftw3-dev is not installed. pbuilder-satisfydepends-dummy depends on libgsl-dev; however: Package libgsl-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on chrpath; however: Package chrpath is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libhdf5-dev; however: Package libhdf5-dev is not installed. pbuilder-satisfydepends-dummy depends on swig; however: Package swig is not installed. pbuilder-satisfydepends-dummy depends on mpb-dev (>= 1.11.1-2); however: Package mpb-dev is not installed. pbuilder-satisfydepends-dummy depends on mpb; however: Package mpb is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy; however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-h5py; however: Package python3-h5py is not installed. pbuilder-satisfydepends-dummy depends on python3-scipy; however: Package python3-scipy is not installed. pbuilder-satisfydepends-dummy depends on python3-matplotlib; however: Package python3-matplotlib is not installed. pbuilder-satisfydepends-dummy depends on python3-setuptools; however: Package python3-setuptools is not installed. pbuilder-satisfydepends-dummy depends on libgdsii-dev; however: Package libgdsii-dev is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} blt{a} bsdextrautils{a} chrpath{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} diffstat{a} dwz{a} ed{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lyx{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-aarch64-linux-gnu{a} gfortran-aarch64-linux-gnu{a} groff-base{a} guile-3.0{a} guile-3.0-dev{a} guile-3.0-libs{a} hdf5-helpers{a} ibverbs-providers{a} intltool-debian{a} libaec-dev{a} libaec0{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli-dev{a} libbrotli1{a} libcom-err2{a} libctl-dev{a} libctl7t64{a} libcurl4-openssl-dev{a} libcurl4t64{a} libdebhelper-perl{a} libdeflate0{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-single3{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libfribidi0{a} libgc-dev{a} libgc1{a} libgdsii-dev{a} libgdsii0{a} libgfortran-14-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgmp-dev{a} libgmpxx4ldbl{a} libgnutls-dane0t64{a} libgnutls-openssl27t64{a} libgnutls28-dev{a} libgraphite2-3{a} libgsl-dev{a} libgsl28{a} libgslcblas0{a} libgssapi-krb5-2{a} libharfbuzz0b{a} libharminv-dev{a} libharminv3{a} libhdf5-103-1t64{a} libhdf5-cpp-103-1t64{a} libhdf5-dev{a} libhdf5-fortran-102t64{a} libhdf5-hl-100t64{a} libhdf5-hl-cpp-100t64{a} libhdf5-hl-fortran-100t64{a} libhdf5-openmpi-103-1t64{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs1{a} libicu72{a} libidn2-dev{a} libimagequant0{a} libjbig0{a} libjpeg-dev{a} libjpeg62-turbo{a} libjpeg62-turbo-dev{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} liblbfgsb0{a} liblcms2-2{a} libldap-2.5-0{a} liblerc4{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} liblzf1{a} libmagic-mgc{a} libmagic1t64{a} libmunge2{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libnghttp2-dev{a} libnl-3-200{a} libnl-route-3-200{a} libnsl2{a} libnuma1{a} libopenjp2-7{a} libopenmpi3t64{a} libp11-kit-dev{a} libpciaccess0{a} libpipeline1{a} libpkgconf3{a} libpmix2t64{a} libpng16-16t64{a} libpsl-dev{a} libpsl5t64{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.12-dev{a} libpython3.12-minimal{a} libpython3.12-stdlib{a} libpython3.12t64{a} libqhull-r8.0{a} libraqm0{a} librdmacm1t64{a} libreadline-dev{a} libreadline8t64{a} librtmp-dev{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsharpyuv0{a} libssh2-1-dev{a} libssh2-1t64{a} libssl-dev{a} libsz2{a} libtasn1-6-dev{a} libtcl8.6{a} libtiff6{a} libtirpc-common{a} libtirpc3t64{a} libtk8.6{a} libtool{a} libuchardet0{a} libucx0{a} libunbound8{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxft2{a} libxml2{a} libxnvctrl0{a} libxrender1{a} libxslt1.1{a} libxss1{a} libz3-4{a} libzstd-dev{a} m4{a} man-db{a} media-types{a} mpb{a} mpb-dev{a} mpb-scm{a} netbase{a} nettle-dev{a} ocl-icd-libopencl1{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python-matplotlib-data{a} python3{a} python3-appdirs{a} python3-attr{a} python3-autocommand{a} python3-brotli{a} python3-contourpy{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-dev{a} python3-fonttools{a} python3-fs{a} python3-h5py{a} python3-h5py-serial{a} python3-inflect{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-kiwisolver{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-minimal{a} python3-more-itertools{a} python3-mpmath{a} python3-numpy{a} python3-packaging{a} python3-pil{a} python3-pil.imagetk{a} python3-pkg-resources{a} python3-pyparsing{a} python3-scipy{a} python3-setuptools{a} python3-six{a} python3-sympy{a} python3-tk{a} python3-typeguard{a} python3-typing-extensions{a} python3-tz{a} python3-ufolib2{a} python3-unicodedata2{a} python3-zipp{a} python3.12{a} python3.12-dev{a} python3.12-minimal{a} python3.12-tk{a} python3.13-tk{a} quilt{a} readline-common{a} sensible-utils{a} swig{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} x11-common{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl h5utils isympy-common javascript-common krb5-locales less libarchive-cpio-perl libctl-doc libglib2.0-data libgpm2 libldap-common libmail-sendmail-perl libsasl2-modules libtasn1-doc lynx publicsuffix python3-bs4 python3-cssselect python3-html5lib python3-olefile shared-mime-info wget xdg-user-dirs 0 packages upgraded, 263 newly installed, 0 to remove and 0 not upgraded. Need to get 197 MB of archives. After unpacking 899 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian trixie/main arm64 libpython3.12-minimal arm64 3.12.6-1 [806 kB] Get: 2 http://deb.debian.org/debian trixie/main arm64 libexpat1 arm64 2.6.3-1 [90.2 kB] Get: 3 http://deb.debian.org/debian trixie/main arm64 python3.12-minimal arm64 3.12.6-1 [1935 kB] Get: 4 http://deb.debian.org/debian trixie/main arm64 python3-minimal arm64 3.12.5-1+b1 [26.9 kB] Get: 5 http://deb.debian.org/debian trixie/main arm64 media-types all 10.1.0 [26.9 kB] Get: 6 http://deb.debian.org/debian trixie/main arm64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian trixie/main arm64 tzdata all 2024a-4 [255 kB] Get: 8 http://deb.debian.org/debian trixie/main arm64 libkrb5support0 arm64 1.21.3-3 [32.1 kB] Get: 9 http://deb.debian.org/debian trixie/main arm64 libcom-err2 arm64 1.47.1-1 [22.8 kB] Get: 10 http://deb.debian.org/debian trixie/main arm64 libk5crypto3 arm64 1.21.3-3 [80.8 kB] Get: 11 http://deb.debian.org/debian trixie/main arm64 libkeyutils1 arm64 1.6.3-3 [9112 B] Get: 12 http://deb.debian.org/debian trixie/main arm64 libkrb5-3 arm64 1.21.3-3 [310 kB] Get: 13 http://deb.debian.org/debian trixie/main arm64 libgssapi-krb5-2 arm64 1.21.3-3 [126 kB] Get: 14 http://deb.debian.org/debian trixie/main arm64 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get: 15 http://deb.debian.org/debian trixie/main arm64 libtirpc3t64 arm64 1.3.4+ds-1.3 [78.4 kB] Get: 16 http://deb.debian.org/debian trixie/main arm64 libnsl2 arm64 1.3.0-3+b2 [37.7 kB] Get: 17 http://deb.debian.org/debian trixie/main arm64 readline-common all 8.2-5 [69.3 kB] Get: 18 http://deb.debian.org/debian trixie/main arm64 libreadline8t64 arm64 8.2-5 [159 kB] Get: 19 http://deb.debian.org/debian trixie/main arm64 libpython3.12-stdlib arm64 3.12.6-1 [1898 kB] Get: 20 http://deb.debian.org/debian trixie/main arm64 python3.12 arm64 3.12.6-1 [669 kB] Get: 21 http://deb.debian.org/debian trixie/main arm64 libpython3-stdlib arm64 3.12.5-1+b1 [9872 B] Get: 22 http://deb.debian.org/debian trixie/main arm64 python3 arm64 3.12.5-1+b1 [27.9 kB] Get: 23 http://deb.debian.org/debian trixie/main arm64 sensible-utils all 0.0.24 [24.8 kB] Get: 24 http://deb.debian.org/debian trixie/main arm64 libmagic-mgc arm64 1:5.45-3 [314 kB] Get: 25 http://deb.debian.org/debian trixie/main arm64 libmagic1t64 arm64 1:5.45-3 [100 kB] Get: 26 http://deb.debian.org/debian trixie/main arm64 file arm64 1:5.45-3 [43.0 kB] Get: 27 http://deb.debian.org/debian trixie/main arm64 gettext-base arm64 0.22.5-2 [198 kB] Get: 28 http://deb.debian.org/debian trixie/main arm64 libuchardet0 arm64 0.0.8-1+b1 [69.0 kB] Get: 29 http://deb.debian.org/debian trixie/main arm64 groff-base arm64 1.23.0-5 [1129 kB] Get: 30 http://deb.debian.org/debian trixie/main arm64 bsdextrautils arm64 2.40.2-8 [96.6 kB] Get: 31 http://deb.debian.org/debian trixie/main arm64 libpipeline1 arm64 1.5.8-1 [40.2 kB] Get: 32 http://deb.debian.org/debian trixie/main arm64 man-db arm64 2.13.0-1 [1404 kB] Get: 33 http://deb.debian.org/debian trixie/main arm64 m4 arm64 1.4.19-4 [277 kB] Get: 34 http://deb.debian.org/debian trixie/main arm64 autoconf all 2.72-3 [493 kB] Get: 35 http://deb.debian.org/debian trixie/main arm64 autotools-dev all 20220109.1 [51.6 kB] Get: 36 http://deb.debian.org/debian trixie/main arm64 automake all 1:1.16.5-1.3 [823 kB] Get: 37 http://deb.debian.org/debian trixie/main arm64 autopoint all 0.22.5-2 [723 kB] Get: 38 http://deb.debian.org/debian trixie/main arm64 libtcl8.6 arm64 8.6.14+dfsg-1 [975 kB] Get: 39 http://deb.debian.org/debian trixie/main arm64 libbrotli1 arm64 1.1.0-2+b4 [292 kB] Get: 40 http://deb.debian.org/debian trixie/main arm64 libpng16-16t64 arm64 1.6.44-1 [272 kB] Get: 41 http://deb.debian.org/debian trixie/main arm64 libfreetype6 arm64 2.13.3+dfsg-1 [422 kB] Get: 42 http://deb.debian.org/debian trixie/main arm64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 43 http://deb.debian.org/debian trixie/main arm64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 44 http://deb.debian.org/debian trixie/main arm64 fontconfig-config arm64 2.15.0-1.1 [317 kB] Get: 45 http://deb.debian.org/debian trixie/main arm64 libfontconfig1 arm64 2.15.0-1.1 [385 kB] Get: 46 http://deb.debian.org/debian trixie/main arm64 libxau6 arm64 1:1.0.9-1+b1 [18.1 kB] Get: 47 http://deb.debian.org/debian trixie/main arm64 libxdmcp6 arm64 1:1.1.2-3+b1 [24.3 kB] Get: 48 http://deb.debian.org/debian trixie/main arm64 libxcb1 arm64 1.17.0-2 [143 kB] Get: 49 http://deb.debian.org/debian trixie/main arm64 libx11-data all 2:1.8.7-1 [328 kB] Get: 50 http://deb.debian.org/debian trixie/main arm64 libx11-6 arm64 2:1.8.7-1+b1 [775 kB] Get: 51 http://deb.debian.org/debian trixie/main arm64 libxrender1 arm64 1:0.9.10-1.1+b1 [27.0 kB] Get: 52 http://deb.debian.org/debian trixie/main arm64 libxft2 arm64 2.3.6-1+b1 [51.0 kB] Get: 53 http://deb.debian.org/debian trixie/main arm64 libxext6 arm64 2:1.3.4-1+b1 [51.7 kB] Get: 54 http://deb.debian.org/debian trixie/main arm64 x11-common all 1:7.7+23.1 [216 kB] Get: 55 http://deb.debian.org/debian trixie/main arm64 libxss1 arm64 1:1.2.3-1+b1 [17.0 kB] Get: 56 http://deb.debian.org/debian trixie/main arm64 libtk8.6 arm64 8.6.15-1 [738 kB] Get: 57 http://deb.debian.org/debian trixie/main arm64 tk8.6-blt2.5 arm64 2.5.3+dfsg-7 [533 kB] Get: 58 http://deb.debian.org/debian trixie/main arm64 blt arm64 2.5.3+dfsg-7 [6024 B] Get: 59 http://deb.debian.org/debian trixie/main arm64 chrpath arm64 0.16-2+b1 [16.0 kB] Get: 60 http://deb.debian.org/debian trixie/main arm64 libdebhelper-perl all 13.20 [89.7 kB] Get: 61 http://deb.debian.org/debian trixie/main arm64 libtool all 2.4.7-7 [517 kB] Get: 62 http://deb.debian.org/debian trixie/main arm64 dh-autoreconf all 20 [17.1 kB] Get: 63 http://deb.debian.org/debian trixie/main arm64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 64 http://deb.debian.org/debian trixie/main arm64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 65 http://deb.debian.org/debian trixie/main arm64 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 66 http://deb.debian.org/debian trixie/main arm64 libelf1t64 arm64 0.191-2 [188 kB] Get: 67 http://deb.debian.org/debian trixie/main arm64 dwz arm64 0.15-1+b1 [102 kB] Get: 68 http://deb.debian.org/debian trixie/main arm64 libicu72 arm64 72.1-5 [9224 kB] Get: 69 http://deb.debian.org/debian trixie/main arm64 libxml2 arm64 2.12.7+dfsg+really2.9.14-0.1 [630 kB] Get: 70 http://deb.debian.org/debian trixie/main arm64 gettext arm64 0.22.5-2 [1532 kB] Get: 71 http://deb.debian.org/debian trixie/main arm64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 72 http://deb.debian.org/debian trixie/main arm64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 73 http://deb.debian.org/debian trixie/main arm64 debhelper all 13.20 [915 kB] Get: 74 http://deb.debian.org/debian trixie/main arm64 diffstat arm64 1.66-1 [31.6 kB] Get: 75 http://deb.debian.org/debian trixie/main arm64 ed arm64 1.20.2-2 [59.4 kB] Get: 76 http://deb.debian.org/debian trixie/main arm64 fonts-lyx all 2.4.1-2 [189 kB] Get: 77 http://deb.debian.org/debian trixie/main arm64 libgfortran5 arm64 14.2.0-3 [362 kB] Get: 78 http://deb.debian.org/debian trixie/main arm64 libgfortran-14-dev arm64 14.2.0-3 [418 kB] Get: 79 http://deb.debian.org/debian trixie/main arm64 gfortran-14-aarch64-linux-gnu arm64 14.2.0-3 [9793 kB] Get: 80 http://deb.debian.org/debian trixie/main arm64 gfortran-14 arm64 14.2.0-3 [11.8 kB] Get: 81 http://deb.debian.org/debian trixie/main arm64 gfortran-aarch64-linux-gnu arm64 4:14.1.0-2 [1288 B] Get: 82 http://deb.debian.org/debian trixie/main arm64 gfortran arm64 4:14.1.0-2 [1436 B] Get: 83 http://deb.debian.org/debian trixie/main arm64 libgc1 arm64 1:8.2.8-1 [241 kB] Get: 84 http://deb.debian.org/debian trixie/main arm64 guile-3.0-libs arm64 3.0.10+really3.0.9-1 [6596 kB] Get: 85 http://deb.debian.org/debian trixie/main arm64 guile-3.0 arm64 3.0.10+really3.0.9-1 [21.1 kB] Get: 86 http://deb.debian.org/debian trixie/main arm64 libncurses6 arm64 6.5-2 [95.7 kB] Get: 87 http://deb.debian.org/debian trixie/main arm64 libncurses-dev arm64 6.5-2 [337 kB] Get: 88 http://deb.debian.org/debian trixie/main arm64 libreadline-dev arm64 8.2-5 [155 kB] Get: 89 http://deb.debian.org/debian trixie/main arm64 libltdl7 arm64 2.4.7-7+b1 [393 kB] Get: 90 http://deb.debian.org/debian trixie/main arm64 libltdl-dev arm64 2.4.7-7+b1 [165 kB] Get: 91 http://deb.debian.org/debian trixie/main arm64 libgmpxx4ldbl arm64 2:6.3.0+dfsg-2+b1 [329 kB] Get: 92 http://deb.debian.org/debian trixie/main arm64 libgmp-dev arm64 2:6.3.0+dfsg-2+b1 [619 kB] Get: 93 http://deb.debian.org/debian trixie/main arm64 libgc-dev arm64 1:8.2.8-1 [415 kB] Get: 94 http://deb.debian.org/debian trixie/main arm64 libpkgconf3 arm64 1.8.1-3 [35.3 kB] Get: 95 http://deb.debian.org/debian trixie/main arm64 pkgconf-bin arm64 1.8.1-3 [29.4 kB] Get: 96 http://deb.debian.org/debian trixie/main arm64 pkgconf arm64 1.8.1-3 [26.0 kB] Get: 97 http://deb.debian.org/debian trixie/main arm64 guile-3.0-dev arm64 3.0.10+really3.0.9-1 [150 kB] Get: 98 http://deb.debian.org/debian trixie/main arm64 hdf5-helpers arm64 1.10.10+repack-4 [23.5 kB] Get: 99 http://deb.debian.org/debian trixie/main arm64 libnl-3-200 arm64 3.7.0-0.3 [56.5 kB] Get: 100 http://deb.debian.org/debian trixie/main arm64 libnl-route-3-200 arm64 3.7.0-0.3 [165 kB] Get: 101 http://deb.debian.org/debian trixie/main arm64 libibverbs1 arm64 52.0-2 [58.2 kB] Get: 102 http://deb.debian.org/debian trixie/main arm64 ibverbs-providers arm64 52.0-2 [316 kB] Get: 103 http://deb.debian.org/debian trixie/main arm64 libaec0 arm64 1.1.3-1 [22.1 kB] Get: 104 http://deb.debian.org/debian trixie/main arm64 libsz2 arm64 1.1.3-1 [7664 B] Get: 105 http://deb.debian.org/debian trixie/main arm64 libaec-dev arm64 1.1.3-1 [19.7 kB] Get: 106 http://deb.debian.org/debian trixie/main arm64 libedit2 arm64 3.1-20240808-1 [89.2 kB] Get: 107 http://deb.debian.org/debian trixie/main arm64 libz3-4 arm64 4.8.12-3.1+b2 [6508 kB] Get: 108 http://deb.debian.org/debian trixie/main arm64 libllvm17t64 arm64 1:17.0.6-18 [21.3 MB] Get: 109 http://deb.debian.org/debian trixie/main arm64 libamd-comgr2 arm64 6.0+git20231212.4510c28+dfsg-3+b1 [12.1 MB] Get: 110 http://deb.debian.org/debian trixie/main arm64 libdrm-common all 2.4.123-1 [8084 B] Get: 111 http://deb.debian.org/debian trixie/main arm64 libdrm2 arm64 2.4.123-1 [38.0 kB] Get: 112 http://deb.debian.org/debian trixie/main arm64 libdrm-amdgpu1 arm64 2.4.123-1 [21.6 kB] Get: 113 http://deb.debian.org/debian trixie/main arm64 libnuma1 arm64 2.0.18-1 [21.4 kB] Get: 114 http://deb.debian.org/debian trixie/main arm64 libhsakmt1 arm64 5.7.0-1 [57.6 kB] Get: 115 http://deb.debian.org/debian trixie/main arm64 libhsa-runtime64-1 arm64 5.7.1-3 [278 kB] Get: 116 http://deb.debian.org/debian trixie/main arm64 libamdhip64-5 arm64 5.7.1-3 [8698 kB] Get: 117 http://deb.debian.org/debian trixie/main arm64 libblas3 arm64 3.12.0-3 [91.7 kB] Get: 118 http://deb.debian.org/debian trixie/main arm64 libblas-dev arm64 3.12.0-3 [98.2 kB] Get: 119 http://deb.debian.org/debian trixie/main arm64 libbrotli-dev arm64 1.1.0-2+b4 [308 kB] Get: 120 http://deb.debian.org/debian trixie/main arm64 libctl7t64 arm64 4.5.1-3 [104 kB] Get: 121 http://deb.debian.org/debian trixie/main arm64 libctl-dev arm64 4.5.1-3 [101 kB] Get: 122 http://deb.debian.org/debian trixie/main arm64 libsasl2-modules-db arm64 2.1.28+dfsg1-8 [20.0 kB] Get: 123 http://deb.debian.org/debian trixie/main arm64 libsasl2-2 arm64 2.1.28+dfsg1-8 [55.4 kB] Get: 124 http://deb.debian.org/debian trixie/main arm64 libldap-2.5-0 arm64 2.5.18+dfsg-3 [174 kB] Get: 125 http://deb.debian.org/debian trixie/main arm64 libnghttp2-14 arm64 1.63.0-1 [71.2 kB] Get: 126 http://deb.debian.org/debian trixie/main arm64 libpsl5t64 arm64 0.21.2-1.1 [56.8 kB] Get: 127 http://deb.debian.org/debian trixie/main arm64 librtmp1 arm64 2.4+20151223.gitfa8646d.1-2+b4 [56.7 kB] Get: 128 http://deb.debian.org/debian trixie/main arm64 libssh2-1t64 arm64 1.11.0-7 [208 kB] Get: 129 http://deb.debian.org/debian trixie/main arm64 libcurl4t64 arm64 8.10.1-1 [322 kB] Get: 130 http://deb.debian.org/debian trixie/main arm64 libidn2-dev arm64 2.3.7-2 [122 kB] Get: 131 http://deb.debian.org/debian trixie/main arm64 libnghttp2-dev arm64 1.63.0-1 [112 kB] Get: 132 http://deb.debian.org/debian trixie/main arm64 libpsl-dev arm64 0.21.2-1.1 [77.7 kB] Get: 133 http://deb.debian.org/debian trixie/main arm64 libevent-2.1-7t64 arm64 2.1.12-stable-10 [169 kB] Get: 134 http://deb.debian.org/debian trixie/main arm64 libunbound8 arm64 1.20.0-1+b1 [542 kB] Get: 135 http://deb.debian.org/debian trixie/main arm64 libgnutls-dane0t64 arm64 3.8.6-2 [436 kB] Get: 136 http://deb.debian.org/debian trixie/main arm64 libgnutls-openssl27t64 arm64 3.8.6-2 [436 kB] Get: 137 http://deb.debian.org/debian trixie/main arm64 libp11-kit-dev arm64 0.25.5-2 [208 kB] Get: 138 http://deb.debian.org/debian trixie/main arm64 libtasn1-6-dev arm64 4.19.0-3+b2 [96.2 kB] Get: 139 http://deb.debian.org/debian trixie/main arm64 nettle-dev arm64 3.10-1 [1323 kB] Get: 140 http://deb.debian.org/debian trixie/main arm64 libgnutls28-dev arm64 3.8.6-2 [1394 kB] Get: 141 http://deb.debian.org/debian trixie/main arm64 zlib1g-dev arm64 1:1.3.dfsg+really1.3.1-1 [916 kB] Get: 142 http://deb.debian.org/debian trixie/main arm64 librtmp-dev arm64 2.4+20151223.gitfa8646d.1-2+b4 [67.3 kB] Get: 143 http://deb.debian.org/debian trixie/main arm64 libssl-dev arm64 3.3.2-1 [3185 kB] Get: 144 http://deb.debian.org/debian trixie/main arm64 libssh2-1-dev arm64 1.11.0-7 [353 kB] Get: 145 http://deb.debian.org/debian trixie/main arm64 libzstd-dev arm64 1.5.6+dfsg-1 [330 kB] Get: 146 http://deb.debian.org/debian trixie/main arm64 libcurl4-openssl-dev arm64 8.10.1-1 [447 kB] Get: 147 http://deb.debian.org/debian trixie/main arm64 libdeflate0 arm64 1.21-1 [42.2 kB] Get: 148 http://deb.debian.org/debian trixie/main arm64 libevent-core-2.1-7t64 arm64 2.1.12-stable-10 [125 kB] Get: 149 http://deb.debian.org/debian trixie/main arm64 libevent-pthreads-2.1-7t64 arm64 2.1.12-stable-10 [54.1 kB] Get: 150 http://deb.debian.org/debian trixie/main arm64 libexpat1-dev arm64 2.6.3-1 [142 kB] Get: 151 http://deb.debian.org/debian trixie/main arm64 librdmacm1t64 arm64 52.0-2 [66.5 kB] Get: 152 http://deb.debian.org/debian trixie/main arm64 libfabric1 arm64 1.17.0-3+b1 [479 kB] Get: 153 http://deb.debian.org/debian trixie/main arm64 libfftw3-double3 arm64 3.3.10-1+b3 [329 kB] Get: 154 http://deb.debian.org/debian trixie/main arm64 libfftw3-long3 arm64 3.3.10-1+b3 [533 kB] Get: 155 http://deb.debian.org/debian trixie/main arm64 libfftw3-single3 arm64 3.3.10-1+b3 [497 kB] Get: 156 http://deb.debian.org/debian trixie/main arm64 libfftw3-bin arm64 3.3.10-1+b3 [43.3 kB] Get: 157 http://deb.debian.org/debian trixie/main arm64 libfftw3-dev arm64 3.3.10-1+b3 [1214 kB] Get: 158 http://deb.debian.org/debian trixie/main arm64 libfribidi0 arm64 1.0.15-1 [71.8 kB] Get: 159 http://deb.debian.org/debian trixie/main arm64 libgdsii0 arm64 0.2+ds.1-1+b1 [29.3 kB] Get: 160 http://deb.debian.org/debian trixie/main arm64 libgdsii-dev arm64 0.2+ds.1-1+b1 [34.3 kB] Get: 161 http://deb.debian.org/debian trixie/main arm64 libglib2.0-0t64 arm64 2.82.1-1 [1410 kB] Get: 162 http://deb.debian.org/debian trixie/main arm64 libgraphite2-3 arm64 1.3.14-2 [69.2 kB] Get: 163 http://deb.debian.org/debian trixie/main arm64 libgslcblas0 arm64 2.8+dfsg-3 [84.0 kB] Get: 164 http://deb.debian.org/debian trixie/main arm64 libgsl28 arm64 2.8+dfsg-3 [880 kB] Get: 165 http://deb.debian.org/debian trixie/main arm64 libgsl-dev arm64 2.8+dfsg-3 [1119 kB] Get: 166 http://deb.debian.org/debian trixie/main arm64 libharfbuzz0b arm64 9.0.0-1 [441 kB] Get: 167 http://deb.debian.org/debian trixie/main arm64 liblapack3 arm64 3.12.0-3 [1757 kB] Get: 168 http://deb.debian.org/debian trixie/main arm64 libharminv3 arm64 1.4.2-1 [23.9 kB] Get: 169 http://deb.debian.org/debian trixie/main arm64 libharminv-dev arm64 1.4.2-1 [14.7 kB] Get: 170 http://deb.debian.org/debian trixie/main arm64 libhdf5-103-1t64 arm64 1.10.10+repack-4 [1050 kB] Get: 171 http://deb.debian.org/debian trixie/main arm64 libhdf5-cpp-103-1t64 arm64 1.10.10+repack-4 [118 kB] Get: 172 http://deb.debian.org/debian trixie/main arm64 libhdf5-fortran-102t64 arm64 1.10.10+repack-4 [88.1 kB] Get: 173 http://deb.debian.org/debian trixie/main arm64 libhdf5-hl-100t64 arm64 1.10.10+repack-4 [60.9 kB] Get: 174 http://deb.debian.org/debian trixie/main arm64 libhdf5-hl-fortran-100t64 arm64 1.10.10+repack-4 [39.0 kB] Get: 175 http://deb.debian.org/debian trixie/main arm64 libhdf5-hl-cpp-100t64 arm64 1.10.10+repack-4 [21.4 kB] Get: 176 http://deb.debian.org/debian trixie/main arm64 libjpeg62-turbo arm64 1:2.1.5-3 [172 kB] Get: 177 http://deb.debian.org/debian trixie/main arm64 libjpeg62-turbo-dev arm64 1:2.1.5-3 [292 kB] Get: 178 http://deb.debian.org/debian trixie/main arm64 libjpeg-dev arm64 1:2.1.5-3 [71.9 kB] Get: 179 http://deb.debian.org/debian trixie/main arm64 libhdf5-dev arm64 1.10.10+repack-4 [2697 kB] Get: 180 http://deb.debian.org/debian trixie/main arm64 libhwloc15 arm64 2.11.0-2 [140 kB] Get: 181 http://deb.debian.org/debian trixie/main arm64 libmunge2 arm64 0.5.15-4 [19.2 kB] Get: 182 http://deb.debian.org/debian trixie/main arm64 libpciaccess0 arm64 0.17-3+b1 [51.1 kB] Get: 183 http://deb.debian.org/debian trixie/main arm64 libxnvctrl0 arm64 535.171.04-1 [13.8 kB] Get: 184 http://deb.debian.org/debian trixie/main arm64 ocl-icd-libopencl1 arm64 2.3.2-1+b1 [39.3 kB] Get: 185 http://deb.debian.org/debian trixie/main arm64 libhwloc-plugins arm64 2.11.0-2 [17.8 kB] Get: 186 http://deb.debian.org/debian trixie/main arm64 libpmix2t64 arm64 5.0.3-2 [581 kB] Get: 187 http://deb.debian.org/debian trixie/main arm64 libibumad3 arm64 52.0-2 [26.9 kB] Get: 188 http://deb.debian.org/debian trixie/main arm64 libibmad5 arm64 52.0-2 [41.3 kB] Get: 189 http://deb.debian.org/debian trixie/main arm64 libucx0 arm64 1.17.0+ds-3 [959 kB] Get: 190 http://deb.debian.org/debian trixie/main arm64 libopenmpi3t64 arm64 4.1.6-13.3 [2170 kB] Get: 191 http://deb.debian.org/debian trixie/main arm64 libhdf5-openmpi-103-1t64 arm64 1.10.10+repack-4 [1095 kB] Get: 192 http://deb.debian.org/debian trixie/main arm64 libimagequant0 arm64 2.18.0-1+b1 [34.6 kB] Get: 193 http://deb.debian.org/debian trixie/main arm64 libjbig0 arm64 2.1-6.1+b1 [30.4 kB] Get: 194 http://deb.debian.org/debian trixie/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 195 http://deb.debian.org/debian trixie/main arm64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 196 http://deb.debian.org/debian trixie/main arm64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 197 http://deb.debian.org/debian trixie/main arm64 libjs-sphinxdoc all 7.4.7-3 [158 kB] Get: 198 http://deb.debian.org/debian trixie/main arm64 liblapack-dev arm64 3.12.0-3 [3584 kB] Get: 199 http://deb.debian.org/debian trixie/main arm64 liblbfgsb0 arm64 3.0+dfsg.4-1+b1 [25.0 kB] Get: 200 http://deb.debian.org/debian trixie/main arm64 liblcms2-2 arm64 2.14-2+b1 [144 kB] Get: 201 http://deb.debian.org/debian trixie/main arm64 liblerc4 arm64 4.0.0+ds-4+b1 [142 kB] Get: 202 http://deb.debian.org/debian trixie/main arm64 liblzf1 arm64 3.6-4+b1 [10.3 kB] Get: 203 http://deb.debian.org/debian trixie/main arm64 libopenjp2-7 arm64 2.5.0-2+b3 [177 kB] Get: 204 http://deb.debian.org/debian trixie/main arm64 libpython3.12t64 arm64 3.12.6-1 [1981 kB] Get: 205 http://deb.debian.org/debian trixie/main arm64 libpython3.12-dev arm64 3.12.6-1 [4782 kB] Get: 206 http://deb.debian.org/debian trixie/main arm64 libpython3-dev arm64 3.12.5-1+b1 [10.1 kB] Get: 207 http://deb.debian.org/debian trixie/main arm64 libqhull-r8.0 arm64 2020.2-6+b1 [226 kB] Get: 208 http://deb.debian.org/debian trixie/main arm64 libraqm0 arm64 0.10.1-1+b1 [13.7 kB] Get: 209 http://deb.debian.org/debian trixie/main arm64 libsharpyuv0 arm64 1.4.0-0.1 [111 kB] Get: 210 http://deb.debian.org/debian trixie/main arm64 libwebp7 arm64 1.4.0-0.1 [267 kB] Get: 211 http://deb.debian.org/debian trixie/main arm64 libtiff6 arm64 4.5.1+git230720-5 [309 kB] Get: 212 http://deb.debian.org/debian trixie/main arm64 libwebpdemux2 arm64 1.4.0-0.1 [110 kB] Get: 213 http://deb.debian.org/debian trixie/main arm64 libwebpmux3 arm64 1.4.0-0.1 [122 kB] Get: 214 http://deb.debian.org/debian trixie/main arm64 libxslt1.1 arm64 1.1.35-1.1 [221 kB] Get: 215 http://deb.debian.org/debian trixie/main arm64 mpb-scm all 1.11.1-6 [12.0 kB] Get: 216 http://deb.debian.org/debian trixie/main arm64 mpb arm64 1.11.1-6 [191 kB] Get: 217 http://deb.debian.org/debian trixie/main arm64 mpb-dev arm64 1.11.1-6 [8152 B] Get: 218 http://deb.debian.org/debian trixie/main arm64 python-matplotlib-data all 3.8.3-3 [2731 kB] Get: 219 http://deb.debian.org/debian trixie/main arm64 python3-appdirs all 1.4.4-4 [12.5 kB] Get: 220 http://deb.debian.org/debian trixie/main arm64 python3-attr all 23.2.0-2 [65.5 kB] Get: 221 http://deb.debian.org/debian trixie/main arm64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 222 http://deb.debian.org/debian trixie/main arm64 python3-brotli arm64 1.1.0-2+b4 [301 kB] Get: 223 http://deb.debian.org/debian trixie/main arm64 python3-more-itertools all 10.4.0-1 [63.7 kB] Get: 224 http://deb.debian.org/debian trixie/main arm64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 225 http://deb.debian.org/debian trixie/main arm64 python3-typeguard all 4.3.0-1 [36.5 kB] Get: 226 http://deb.debian.org/debian trixie/main arm64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 227 http://deb.debian.org/debian trixie/main arm64 python3-jaraco.context all 6.0.0-1 [7984 B] Get: 228 http://deb.debian.org/debian trixie/main arm64 python3-jaraco.functools all 4.0.2-1 [11.7 kB] Get: 229 http://deb.debian.org/debian trixie/main arm64 python3-pkg-resources all 74.1.2-2 [213 kB] Get: 230 http://deb.debian.org/debian trixie/main arm64 python3-numpy arm64 1:1.26.4+ds-11 [3351 kB] Get: 231 http://deb.debian.org/debian trixie/main arm64 python3-contourpy arm64 1.3.0-1 [187 kB] Get: 232 http://deb.debian.org/debian trixie/main arm64 python3-cycler all 0.12.1-1 [9496 B] Get: 233 http://deb.debian.org/debian trixie/main arm64 python3-six all 1.16.0-7 [16.4 kB] Get: 234 http://deb.debian.org/debian trixie/main arm64 python3-dateutil all 2.9.0-2 [79.4 kB] Get: 235 http://deb.debian.org/debian trixie/main arm64 python3-decorator all 5.1.1-5 [15.1 kB] Get: 236 http://deb.debian.org/debian trixie/main arm64 python3.12-dev arm64 3.12.6-1 [506 kB] Get: 237 http://deb.debian.org/debian trixie/main arm64 python3-dev arm64 3.12.5-1+b1 [26.1 kB] Get: 238 http://deb.debian.org/debian trixie/main arm64 python3-scipy arm64 1.13.1-5 [15.4 MB] Get: 239 http://deb.debian.org/debian trixie/main arm64 python3-ufolib2 all 0.16.0+dfsg1-1 [32.9 kB] Get: 240 http://deb.debian.org/debian trixie/main arm64 python3-mpmath all 1.3.0-1 [419 kB] Get: 241 http://deb.debian.org/debian trixie/main arm64 python3-sympy all 1.13.2-1 [4147 kB] Get: 242 http://deb.debian.org/debian trixie/main arm64 python3-tz all 2024.1-2 [30.9 kB] Get: 243 http://deb.debian.org/debian trixie/main arm64 python3-fs all 2.4.16-4 [95.4 kB] Get: 244 http://deb.debian.org/debian trixie/main arm64 python3-lxml arm64 5.3.0-1 [1096 kB] Get: 245 http://deb.debian.org/debian trixie/main arm64 python3-lz4 arm64 4.0.2+dfsg-1+b4 [25.1 kB] Get: 246 http://deb.debian.org/debian trixie/main arm64 python3-unicodedata2 arm64 15.1.0+ds-1+b2 [297 kB] Get: 247 http://deb.debian.org/debian trixie/main arm64 unicode-data all 15.1.0-1 [8547 kB] Get: 248 http://deb.debian.org/debian trixie/main arm64 python3-fonttools arm64 4.46.0-1+b1 [1319 kB] Get: 249 http://deb.debian.org/debian trixie/main arm64 python3-h5py-serial arm64 3.11.0-5 [887 kB] Get: 250 http://deb.debian.org/debian trixie/main arm64 python3-h5py all 3.11.0-5 [14.7 kB] Get: 251 http://deb.debian.org/debian trixie/main arm64 python3-kiwisolver arm64 1.4.5-1+b1 [55.1 kB] Get: 252 http://deb.debian.org/debian trixie/main arm64 python3-pil arm64 10.4.0-1 [480 kB] Get: 253 http://deb.debian.org/debian trixie/main arm64 python3.12-tk arm64 3.12.6-1 [110 kB] Get: 254 http://deb.debian.org/debian trixie/main arm64 python3.13-tk arm64 3.13.0~rc2-1 [101 kB] Get: 255 http://deb.debian.org/debian trixie/main arm64 python3-tk arm64 3.12.6-1 [9428 B] Get: 256 http://deb.debian.org/debian trixie/main arm64 python3-pil.imagetk arm64 10.4.0-1 [79.4 kB] Get: 257 http://deb.debian.org/debian trixie/main arm64 python3-pyparsing all 3.1.2-1 [146 kB] Get: 258 http://deb.debian.org/debian trixie/main arm64 python3-packaging all 24.1-1 [45.8 kB] Get: 259 http://deb.debian.org/debian trixie/main arm64 python3-matplotlib arm64 3.8.3-3 [5509 kB] Get: 260 http://deb.debian.org/debian trixie/main arm64 python3-zipp all 3.20.2-1 [10.3 kB] Get: 261 http://deb.debian.org/debian trixie/main arm64 python3-setuptools all 74.1.2-2 [736 kB] Get: 262 http://deb.debian.org/debian trixie/main arm64 quilt all 0.68-1 [437 kB] Get: 263 http://deb.debian.org/debian trixie/main arm64 swig arm64 4.2.1-1 [1350 kB] Fetched 197 MB in 2s (125 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:arm64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19895 files and directories currently installed.) Preparing to unpack .../libpython3.12-minimal_3.12.6-1_arm64.deb ... Unpacking libpython3.12-minimal:arm64 (3.12.6-1) ... Selecting previously unselected package libexpat1:arm64. Preparing to unpack .../libexpat1_2.6.3-1_arm64.deb ... Unpacking libexpat1:arm64 (2.6.3-1) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.6-1_arm64.deb ... Unpacking python3.12-minimal (3.12.6-1) ... Setting up libpython3.12-minimal:arm64 (3.12.6-1) ... Setting up libexpat1:arm64 (2.6.3-1) ... Setting up python3.12-minimal (3.12.6-1) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20215 files and directories currently installed.) Preparing to unpack .../00-python3-minimal_3.12.5-1+b1_arm64.deb ... Unpacking python3-minimal (3.12.5-1+b1) ... Selecting previously unselected package media-types. Preparing to unpack .../01-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../02-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../03-tzdata_2024a-4_all.deb ... Unpacking tzdata (2024a-4) ... Selecting previously unselected package libkrb5support0:arm64. Preparing to unpack .../04-libkrb5support0_1.21.3-3_arm64.deb ... Unpacking libkrb5support0:arm64 (1.21.3-3) ... Selecting previously unselected package libcom-err2:arm64. Preparing to unpack .../05-libcom-err2_1.47.1-1_arm64.deb ... Unpacking libcom-err2:arm64 (1.47.1-1) ... Selecting previously unselected package libk5crypto3:arm64. Preparing to unpack .../06-libk5crypto3_1.21.3-3_arm64.deb ... Unpacking libk5crypto3:arm64 (1.21.3-3) ... Selecting previously unselected package libkeyutils1:arm64. Preparing to unpack .../07-libkeyutils1_1.6.3-3_arm64.deb ... Unpacking libkeyutils1:arm64 (1.6.3-3) ... Selecting previously unselected package libkrb5-3:arm64. Preparing to unpack .../08-libkrb5-3_1.21.3-3_arm64.deb ... Unpacking libkrb5-3:arm64 (1.21.3-3) ... Selecting previously unselected package libgssapi-krb5-2:arm64. Preparing to unpack .../09-libgssapi-krb5-2_1.21.3-3_arm64.deb ... Unpacking libgssapi-krb5-2:arm64 (1.21.3-3) ... Selecting previously unselected package libtirpc-common. Preparing to unpack .../10-libtirpc-common_1.3.4+ds-1.3_all.deb ... Unpacking libtirpc-common (1.3.4+ds-1.3) ... Selecting previously unselected package libtirpc3t64:arm64. Preparing to unpack .../11-libtirpc3t64_1.3.4+ds-1.3_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3 to /lib/aarch64-linux-gnu/libtirpc.so.3.usr-is-merged by libtirpc3t64' Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3.0.0 to /lib/aarch64-linux-gnu/libtirpc.so.3.0.0.usr-is-merged by libtirpc3t64' Unpacking libtirpc3t64:arm64 (1.3.4+ds-1.3) ... Selecting previously unselected package libnsl2:arm64. Preparing to unpack .../12-libnsl2_1.3.0-3+b2_arm64.deb ... Unpacking libnsl2:arm64 (1.3.0-3+b2) ... Selecting previously unselected package readline-common. Preparing to unpack .../13-readline-common_8.2-5_all.deb ... Unpacking readline-common (8.2-5) ... Selecting previously unselected package libreadline8t64:arm64. Preparing to unpack .../14-libreadline8t64_8.2-5_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8 to /lib/aarch64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8.2 to /lib/aarch64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8 to /lib/aarch64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8.2 to /lib/aarch64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:arm64 (8.2-5) ... Selecting previously unselected package libpython3.12-stdlib:arm64. Preparing to unpack .../15-libpython3.12-stdlib_3.12.6-1_arm64.deb ... Unpacking libpython3.12-stdlib:arm64 (3.12.6-1) ... Selecting previously unselected package python3.12. Preparing to unpack .../16-python3.12_3.12.6-1_arm64.deb ... Unpacking python3.12 (3.12.6-1) ... Selecting previously unselected package libpython3-stdlib:arm64. Preparing to unpack .../17-libpython3-stdlib_3.12.5-1+b1_arm64.deb ... Unpacking libpython3-stdlib:arm64 (3.12.5-1+b1) ... Setting up python3-minimal (3.12.5-1+b1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21289 files and directories currently installed.) Preparing to unpack .../000-python3_3.12.5-1+b1_arm64.deb ... Unpacking python3 (3.12.5-1+b1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../001-sensible-utils_0.0.24_all.deb ... Unpacking sensible-utils (0.0.24) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../002-libmagic-mgc_1%3a5.45-3_arm64.deb ... Unpacking libmagic-mgc (1:5.45-3) ... Selecting previously unselected package libmagic1t64:arm64. Preparing to unpack .../003-libmagic1t64_1%3a5.45-3_arm64.deb ... Unpacking libmagic1t64:arm64 (1:5.45-3) ... Selecting previously unselected package file. Preparing to unpack .../004-file_1%3a5.45-3_arm64.deb ... Unpacking file (1:5.45-3) ... Selecting previously unselected package gettext-base. Preparing to unpack .../005-gettext-base_0.22.5-2_arm64.deb ... Unpacking gettext-base (0.22.5-2) ... Selecting previously unselected package libuchardet0:arm64. Preparing to unpack .../006-libuchardet0_0.0.8-1+b1_arm64.deb ... Unpacking libuchardet0:arm64 (0.0.8-1+b1) ... Selecting previously unselected package groff-base. 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Unpacking libxdmcp6:arm64 (1:1.1.2-3+b1) ... Selecting previously unselected package libxcb1:arm64. Preparing to unpack .../026-libxcb1_1.17.0-2_arm64.deb ... Unpacking libxcb1:arm64 (1.17.0-2) ... Selecting previously unselected package libx11-data. Preparing to unpack .../027-libx11-data_2%3a1.8.7-1_all.deb ... Unpacking libx11-data (2:1.8.7-1) ... Selecting previously unselected package libx11-6:arm64. Preparing to unpack .../028-libx11-6_2%3a1.8.7-1+b1_arm64.deb ... Unpacking libx11-6:arm64 (2:1.8.7-1+b1) ... Selecting previously unselected package libxrender1:arm64. Preparing to unpack .../029-libxrender1_1%3a0.9.10-1.1+b1_arm64.deb ... Unpacking libxrender1:arm64 (1:0.9.10-1.1+b1) ... Selecting previously unselected package libxft2:arm64. Preparing to unpack .../030-libxft2_2.3.6-1+b1_arm64.deb ... Unpacking libxft2:arm64 (2.3.6-1+b1) ... Selecting previously unselected package libxext6:arm64. Preparing to unpack .../031-libxext6_2%3a1.3.4-1+b1_arm64.deb ... Unpacking libxext6:arm64 (2:1.3.4-1+b1) ... Selecting previously unselected package x11-common. Preparing to unpack .../032-x11-common_1%3a7.7+23.1_all.deb ... Unpacking x11-common (1:7.7+23.1) ... Selecting previously unselected package libxss1:arm64. Preparing to unpack .../033-libxss1_1%3a1.2.3-1+b1_arm64.deb ... Unpacking libxss1:arm64 (1:1.2.3-1+b1) ... Selecting previously unselected package libtk8.6:arm64. Preparing to unpack .../034-libtk8.6_8.6.15-1_arm64.deb ... Unpacking libtk8.6:arm64 (8.6.15-1) ... Selecting previously unselected package tk8.6-blt2.5. Preparing to unpack .../035-tk8.6-blt2.5_2.5.3+dfsg-7_arm64.deb ... Unpacking tk8.6-blt2.5 (2.5.3+dfsg-7) ... Selecting previously unselected package blt. Preparing to unpack .../036-blt_2.5.3+dfsg-7_arm64.deb ... Unpacking blt (2.5.3+dfsg-7) ... Selecting previously unselected package chrpath. Preparing to unpack .../037-chrpath_0.16-2+b1_arm64.deb ... Unpacking chrpath (0.16-2+b1) ... 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Unpacking dh-strip-nondeterminism (1.14.0-1) ... Selecting previously unselected package libelf1t64:arm64. Preparing to unpack .../044-libelf1t64_0.191-2_arm64.deb ... Unpacking libelf1t64:arm64 (0.191-2) ... Selecting previously unselected package dwz. Preparing to unpack .../045-dwz_0.15-1+b1_arm64.deb ... Unpacking dwz (0.15-1+b1) ... Selecting previously unselected package libicu72:arm64. Preparing to unpack .../046-libicu72_72.1-5_arm64.deb ... Unpacking libicu72:arm64 (72.1-5) ... Selecting previously unselected package libxml2:arm64. Preparing to unpack .../047-libxml2_2.12.7+dfsg+really2.9.14-0.1_arm64.deb ... Unpacking libxml2:arm64 (2.12.7+dfsg+really2.9.14-0.1) ... Selecting previously unselected package gettext. Preparing to unpack .../048-gettext_0.22.5-2_arm64.deb ... Unpacking gettext (0.22.5-2) ... Selecting previously unselected package intltool-debian. Preparing to unpack .../049-intltool-debian_0.35.0+20060710.6_all.deb ... Unpacking intltool-debian (0.35.0+20060710.6) ... Selecting previously unselected package po-debconf. Preparing to unpack .../050-po-debconf_1.0.21+nmu1_all.deb ... Unpacking po-debconf (1.0.21+nmu1) ... Selecting previously unselected package debhelper. Preparing to unpack .../051-debhelper_13.20_all.deb ... Unpacking debhelper (13.20) ... Selecting previously unselected package diffstat. Preparing to unpack .../052-diffstat_1.66-1_arm64.deb ... Unpacking diffstat (1.66-1) ... Selecting previously unselected package ed. Preparing to unpack .../053-ed_1.20.2-2_arm64.deb ... Unpacking ed (1.20.2-2) ... Selecting previously unselected package fonts-lyx. Preparing to unpack .../054-fonts-lyx_2.4.1-2_all.deb ... Unpacking fonts-lyx (2.4.1-2) ... Selecting previously unselected package libgfortran5:arm64. Preparing to unpack .../055-libgfortran5_14.2.0-3_arm64.deb ... Unpacking libgfortran5:arm64 (14.2.0-3) ... Selecting previously unselected package libgfortran-14-dev:arm64. 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Setting up libgc-dev:arm64 (1:8.2.8-1) ... Setting up libtasn1-6-dev:arm64 (4.19.0-3+b2) ... Setting up libwebpmux3:arm64 (1.4.0-0.1) ... Setting up libgdsii0:arm64 (0.2+ds.1-1+b1) ... Setting up libdrm-common (2.4.123-1) ... Setting up readline-common (8.2-5) ... Setting up libxml2:arm64 (2.12.7+dfsg+really2.9.14-0.1) ... Setting up libbrotli-dev:arm64 (1.1.0-2+b4) ... Setting up chrpath (0.16-2+b1) ... Setting up libp11-kit-dev:arm64 (0.25.5-2) ... Setting up libblas-dev:arm64 (3.12.0-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/blas/libblas.so to provide /usr/lib/aarch64-linux-gnu/libblas.so (libblas.so-aarch64-linux-gnu) in auto mode Setting up libsz2:arm64 (1.1.3-1) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up automake (1:1.16.5-1.3) ... update-alternatives: using /usr/bin/automake-1.16 to provide /usr/bin/automake (automake) in auto mode Setting up libgfortran-14-dev:arm64 (14.2.0-3) ... Setting up libfile-stripnondeterminism-perl (1.14.0-1) ... Setting up liblapack3:arm64 (3.12.0-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/aarch64-linux-gnu/liblapack.so.3 (liblapack.so.3-aarch64-linux-gnu) in auto mode Setting up libncurses-dev:arm64 (6.5-2) ... Setting up gettext (0.22.5-2) ... Setting up libgsl-dev (2.8+dfsg-3) ... Setting up libgmp-dev:arm64 (2:6.3.0+dfsg-2+b1) ... Setting up nettle-dev:arm64 (3.10-1) ... Setting up libxrender1:arm64 (1:0.9.10-1.1+b1) ... Setting up libtool (2.4.7-7) ... Setting up libfftw3-bin (3.3.10-1+b3) ... Setting up libevent-pthreads-2.1-7t64:arm64 (2.1.12-stable-10) ... Setting up fontconfig-config (2.15.0-1.1) ... Setting up libgdsii-dev:arm64 (0.2+ds.1-1+b1) ... Setting up libwebpdemux2:arm64 (1.4.0-0.1) ... Setting up libaec-dev:arm64 (1.1.3-1) ... Setting up libjpeg-dev:arm64 (1:2.1.5-3) ... Setting up libxext6:arm64 (2:1.3.4-1+b1) ... Setting up quilt (0.68-1) ... Setting up libldap-2.5-0:arm64 (2.5.18+dfsg-3) ... Setting up pkgconf:arm64 (1.8.1-3) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up libnl-route-3-200:arm64 (3.7.0-0.3) ... Setting up libxnvctrl0:arm64 (535.171.04-1) ... Setting up dh-autoreconf (20) ... Setting up libltdl-dev:arm64 (2.4.7-7+b1) ... Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libllvm17t64:arm64 (1:17.0.6-18) ... Setting up libfreetype6:arm64 (2.13.3+dfsg-1) ... Setting up liblapack-dev:arm64 (3.12.0-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so to provide /usr/lib/aarch64-linux-gnu/liblapack.so (liblapack.so-aarch64-linux-gnu) in auto mode Setting up libgssapi-krb5-2:arm64 (1.21.3-3) ... Setting up libssh2-1-dev:arm64 (1.11.0-7) ... Setting up libjs-sphinxdoc (7.4.7-3) ... Setting up libharminv3 (1.4.2-1) ... Setting up libreadline8t64:arm64 (8.2-5) ... Setting up dh-strip-nondeterminism (1.14.0-1) ... Setting up libdrm2:arm64 (2.4.123-1) ... Setting up groff-base (1.23.0-5) ... Setting up gfortran-14-aarch64-linux-gnu (14.2.0-3) ... Setting up libxslt1.1:arm64 (1.1.35-1.1) ... Setting up libharfbuzz0b:arm64 (9.0.0-1) ... Setting up gfortran-aarch64-linux-gnu (4:14.1.0-2) ... Setting up libamd-comgr2:arm64 (6.0+git20231212.4510c28+dfsg-3+b1) ... Setting up libxss1:arm64 (1:1.2.3-1+b1) ... Setting up libfontconfig1:arm64 (2.15.0-1.1) ... Setting up gfortran-14 (14.2.0-3) ... Setting up libharminv-dev (1.4.2-1) ... Setting up libfftw3-dev:arm64 (3.3.10-1+b3) ... Setting up liblbfgsb0:arm64 (3.0+dfsg.4-1+b1) ... Setting up libdrm-amdgpu1:arm64 (2.4.123-1) ... Setting up libgnutls28-dev:arm64 (3.8.6-2) ... Setting up libnghttp2-dev:arm64 (1.63.0-1) ... Setting up libibverbs1:arm64 (52.0-2) ... Setting up libxft2:arm64 (2.3.6-1+b1) ... Setting up libcurl4t64:arm64 (8.10.1-1) ... Setting up libtirpc3t64:arm64 (1.3.4+ds-1.3) ... Setting up ibverbs-providers:arm64 (52.0-2) ... Setting up guile-3.0-libs:arm64 (3.0.10+really3.0.9-1) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libtk8.6:arm64 (8.6.15-1) ... Setting up python3.12-tk (3.12.6-1) ... Setting up libctl7t64:arm64 (4.5.1-3) ... Setting up libreadline-dev:arm64 (8.2-5) ... Setting up libhwloc-plugins:arm64 (2.11.0-2) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up gfortran (4:14.1.0-2) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up python3.13-tk (3.13.0~rc2-1) ... Setting up libraqm0:arm64 (0.10.1-1+b1) ... Setting up librtmp-dev:arm64 (2.4+20151223.gitfa8646d.1-2+b4) ... Setting up libpmix2t64:arm64 (5.0.3-2) ... Setting up libnsl2:arm64 (1.3.0-3+b2) ... Setting up librdmacm1t64:arm64 (52.0-2) ... Setting up libhdf5-103-1t64:arm64 (1.10.10+repack-4) ... Setting up guile-3.0 (3.0.10+really3.0.9-1) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/guile/3.0/bin/guile to provide /usr/bin/guile (guile) in auto mode Setting up libhsakmt1:arm64 (5.7.0-1) ... Setting up libfabric1:arm64 (1.17.0-3+b1) ... Setting up libhdf5-hl-100t64:arm64 (1.10.10+repack-4) ... Setting up tk8.6-blt2.5 (2.5.3+dfsg-7) ... Setting up libpython3.12-stdlib:arm64 (3.12.6-1) ... Setting up blt (2.5.3+dfsg-7) ... Setting up python3.12 (3.12.6-1) ... Setting up libhdf5-cpp-103-1t64:arm64 (1.10.10+repack-4) ... Setting up libhdf5-fortran-102t64:arm64 (1.10.10+repack-4) ... Setting up debhelper (13.20) ... Setting up libpython3.12t64:arm64 (3.12.6-1) ... Setting up libcurl4-openssl-dev:arm64 (8.10.1-1) ... Setting up libhsa-runtime64-1:arm64 (5.7.1-3) ... Setting up guile-3.0-dev (3.0.10+really3.0.9-1) ... update-alternatives: using /usr/bin/guile-config-3.0 to provide /usr/bin/guile-config (guile-config) in auto mode update-alternatives: using /usr/share/aclocal/guile-3.0.m4 to provide /usr/share/aclocal/guile.m4 (guile-autoconf-macros) in auto mode Setting up libhdf5-hl-cpp-100t64:arm64 (1.10.10+repack-4) ... Setting up libpython3-stdlib:arm64 (3.12.5-1+b1) ... Setting up libhdf5-hl-fortran-100t64:arm64 (1.10.10+repack-4) ... Setting up python3 (3.12.5-1+b1) ... Setting up libpython3.12-dev:arm64 (3.12.6-1) ... Setting up python3-zipp (3.20.2-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up python3-tz (2024.1-2) ... Setting up libctl-dev:arm64 (4.5.1-3) ... Setting up python3-six (1.16.0-7) ... Setting up python3-pil:arm64 (10.4.0-1) ... Setting up python3-decorator (5.1.1-5) ... Setting up python3-packaging (24.1-1) ... Setting up libamdhip64-5 (5.7.1-3) ... Setting up python3-pyparsing (3.1.2-1) ... Setting up python3-brotli (1.1.0-2+b4) ... Setting up python3-cycler (0.12.1-1) ... Setting up libhdf5-dev (1.10.10+repack-4) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up python3-kiwisolver (1.4.5-1+b1) ... Setting up python3.12-dev (3.12.6-1) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up python3-lxml:arm64 (5.3.0-1) ... Setting up python3-dateutil (2.9.0-2) ... Setting up python3-mpmath (1.3.0-1) ... Setting up python3-appdirs (1.4.4-4) ... Setting up python3-more-itertools (10.4.0-1) ... Setting up python3-sympy (1.13.2-1) ... Setting up python3-attr (23.2.0-2) ... Setting up libucx0:arm64 (1.17.0+ds-3) ... Setting up libpython3-dev:arm64 (3.12.5-1+b1) ... Setting up python3-jaraco.functools (4.0.2-1) ... Setting up python3-jaraco.context (6.0.0-1) ... Setting up python3-lz4 (4.0.2+dfsg-1+b4) ... Setting up python3-unicodedata2 (15.1.0+ds-1+b2) ... Setting up python3-typeguard (4.3.0-1) ... Setting up python3-tk:arm64 (3.12.6-1) ... Setting up python3-inflect (7.3.1-2) ... Setting up python3-pil.imagetk:arm64 (10.4.0-1) ... Setting up python3-dev (3.12.5-1+b1) ... Setting up libopenmpi3t64:arm64 (4.1.6-13.3) ... Setting up python3-pkg-resources (74.1.2-2) ... Setting up python3-setuptools (74.1.2-2) ... Setting up libhdf5-openmpi-103-1t64:arm64 (1.10.10+repack-4) ... Setting up python3-fs (2.4.16-4) ... Setting up mpb (1.11.1-6) ... Setting up python3-numpy (1:1.26.4+ds-11) ... Setting up python3-contourpy (1.3.0-1) ... Setting up python3-scipy (1.13.1-5) ... Setting up python3-h5py-serial (3.11.0-5) ... Setting up python3-h5py (3.11.0-5) ... Setting up python3-fonttools (4.46.0-1+b1) ... Setting up python3-ufolib2 (0.16.0+dfsg1-1) ... Setting up python3-matplotlib (3.8.3-3) ... Processing triggers for libc-bin (2.40-2) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/A99_set_merged_usr starting Not re-configuring usrmerge for trixie I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/A99_set_merged_usr finished hostname: Name or service not known I: Running cd /build/reproducible-path/meep-1.25.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../meep_1.25.0-4_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.25.0-4 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Thorsten Alteholz dpkg-source --before-build . dpkg-buildpackage: info: host architecture arm64 debian/rules clean dh clean --with autoreconf debian/rules override_dh_clean make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' # we do not need this anymore rm -f tests/latest_output dh_clean make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' debian/rules binary dh binary --with autoreconf dh_update_autotools_config dh_autoreconf libtoolize: putting auxiliary files in '.'. libtoolize: copying file './ltmain.sh' libtoolize: putting macros in AC_CONFIG_MACRO_DIRS, 'm4'. libtoolize: copying file 'm4/libtool.m4' libtoolize: copying file 'm4/ltoptions.m4' libtoolize: copying file 'm4/ltsugar.m4' libtoolize: copying file 'm4/ltversion.m4' libtoolize: copying file 'm4/lt~obsolete.m4' configure.ac:74: warning: The macro 'AC_TRY_COMPILE' is obsolete. configure.ac:74: You should run autoupdate. ./lib/autoconf/general.m4:2845: AC_TRY_COMPILE is expanded from... m4/ax_mpi.m4:69: AX_MPI is expanded from... configure.ac:74: the top level configure.ac:64: installing './compile' configure.ac:109: installing './config.guess' configure.ac:109: installing './config.sub' configure.ac:12: installing './install-sh' configure.ac:12: installing './missing' libpympb/Makefile.am: installing './depcomp' python/Makefile.am:234: installing './py-compile' parallel-tests: installing './test-driver' debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' # the latest patch is only needed on architectures without SSE or other special stuff if [ "arm64" = "i386" ] || \ [ "arm64" = "hurd-i386" ] ; then \ echo "all patches needed, do nothing here"; \ else \ echo "we don't need the last patch"; \ quilt pop; \ fi we don't need the last patch Removing patch debian/patches/i386-fix.patch Restoring src/mympi.cpp Now at patch debian/patches/python-distutils.patch F77=gfortran dh_auto_configure -- --host=aarch64-linux-gnu --build=aarch64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode ./configure --build=aarch64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/aarch64-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking --host=aarch64-linux-gnu --build=aarch64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane... yes checking for a race-free mkdir -p... /usr/bin/mkdir -p checking for gawk... no checking for mawk... mawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking whether make supports nested variables... (cached) yes checking whether to enable maintainer-specific portions of Makefiles... yes checking for aarch64-linux-gnu-gcc... aarch64-linux-gnu-gcc checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether the compiler supports GNU C... yes checking whether aarch64-linux-gnu-gcc accepts -g... yes checking for aarch64-linux-gnu-gcc option to enable C11 features... none needed checking whether aarch64-linux-gnu-gcc understands -c and -o together... yes checking whether make supports the include directive... yes (GNU style) checking dependency style of aarch64-linux-gnu-gcc... none checking for aarch64-linux-gnu-g++... aarch64-linux-gnu-g++ checking whether the compiler supports GNU C++... yes checking whether aarch64-linux-gnu-g++ accepts -g... yes checking for aarch64-linux-gnu-g++ option to enable C++11 features... none needed checking dependency style of aarch64-linux-gnu-g++... none checking whether aarch64-linux-gnu-g++ supports C++11 features by default... yes checking build system type... aarch64-unknown-linux-gnu checking host system type... aarch64-unknown-linux-gnu checking for C++ compiler vendor... gnu checking how to print strings... printf checking for a sed that does not truncate output... /usr/bin/sed checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for fgrep... /usr/bin/grep -F checking for ld used by aarch64-linux-gnu-gcc... /usr/bin/ld checking if the linker (/usr/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/aarch64-linux-gnu-nm -B checking the name lister (/usr/bin/aarch64-linux-gnu-nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 1572864 checking how to convert aarch64-unknown-linux-gnu file names to aarch64-unknown-linux-gnu format... func_convert_file_noop checking how to convert aarch64-unknown-linux-gnu file names to toolchain format... func_convert_file_noop checking for /usr/bin/ld option to reload object files... -r checking for aarch64-linux-gnu-file... no checking for file... file checking for aarch64-linux-gnu-objdump... aarch64-linux-gnu-objdump checking how to recognize dependent libraries... pass_all checking for aarch64-linux-gnu-dlltool... no checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for aarch64-linux-gnu-ar... aarch64-linux-gnu-ar checking for archiver @FILE support... @ checking for aarch64-linux-gnu-strip... aarch64-linux-gnu-strip checking for aarch64-linux-gnu-ranlib... aarch64-linux-gnu-ranlib checking command to parse /usr/bin/aarch64-linux-gnu-nm -B output from aarch64-linux-gnu-gcc object... ok checking for sysroot... no checking for a working dd... /usr/bin/dd checking how to truncate binary pipes... /usr/bin/dd bs=4096 count=1 checking for aarch64-linux-gnu-mt... no checking for mt... no checking if : is a manifest tool... no checking for stdio.h... yes checking for stdlib.h... yes checking for string.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for strings.h... yes checking for sys/stat.h... yes checking for sys/types.h... yes checking for unistd.h... yes checking for dlfcn.h... yes checking for objdir... .libs checking if aarch64-linux-gnu-gcc supports -fno-rtti -fno-exceptions... no checking for aarch64-linux-gnu-gcc option to produce PIC... -fPIC -DPIC checking if aarch64-linux-gnu-gcc PIC flag -fPIC -DPIC works... yes checking if aarch64-linux-gnu-gcc static flag -static works... yes checking if aarch64-linux-gnu-gcc supports -c -o file.o... yes checking if aarch64-linux-gnu-gcc supports -c -o file.o... (cached) yes checking whether the aarch64-linux-gnu-gcc linker (/usr/bin/ld) supports shared libraries... yes checking whether -lc should be explicitly linked in... no checking dynamic linker characteristics... GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking whether stripping libraries is possible... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... yes checking whether to build static libraries... yes checking how to run the C++ preprocessor... aarch64-linux-gnu-g++ -E checking for ld used by aarch64-linux-gnu-g++... /usr/bin/ld checking if the linker (/usr/bin/ld) is GNU ld... yes checking whether the aarch64-linux-gnu-g++ linker (/usr/bin/ld) supports shared libraries... yes checking for aarch64-linux-gnu-g++ option to produce PIC... -fPIC -DPIC checking if aarch64-linux-gnu-g++ PIC flag -fPIC -DPIC works... yes checking if aarch64-linux-gnu-g++ static flag -static works... yes checking if aarch64-linux-gnu-g++ supports -c -o file.o... yes checking if aarch64-linux-gnu-g++ supports -c -o file.o... (cached) yes checking whether the aarch64-linux-gnu-g++ linker (/usr/bin/ld) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking for sin in -lm... yes checking for fftw_plan_dft_1d in -lfftw3... yes checking for aarch64-linux-gnu-g77... gfortran checking whether the compiler supports GNU Fortran 77... yes checking whether gfortran accepts -g... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... yes checking whether to build static libraries... yes checking for gfortran option to produce PIC... -fPIC checking if gfortran PIC flag -fPIC works... yes checking if gfortran static flag -static works... yes checking if gfortran supports -c -o file.o... yes checking if gfortran supports -c -o file.o... (cached) yes checking whether the gfortran linker (/usr/bin/ld) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking how to get verbose linking output from gfortran... -v checking for Fortran 77 libraries of gfortran... -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore checking if sgemm_ is being linked in already... no checking for sgemm_ in -lopenblas... no checking for ATL_xerbla in -latlas... no checking for sgemm_ in -lblas... yes checking for dgemm_ in -ldgemm... no checking for sgemm_ in -lmkl... no checking for sgemm_ in -framework vecLib... no checking for sgemm_ in -lcxml... no checking for sgemm_ in -ldxml... no checking for sgemm_ in -lscs... no checking for sgemm_ in -lcomplib.sgimath... no checking for sgemm_ in -lblas... (cached) yes checking for sgemm_ in -lessl... no checking for sgemm_ in -lblas... (cached) yes checking for cheev_... no checking for cheev_ in -llapack... yes checking for pkg-config... /usr/bin/pkg-config checking for harminv >= 1.1... yes checking HARMINV_CFLAGS... checking HARMINV_LIBS... -lharminv checking for mpb.h... yes checking for maxwell_target_operator1 in -lmpb... yes checking for cos in -lm... yes checking for cblas_dgemm in -lgslcblas... yes checking for gsl_sf_bessel_Jn in -lgsl... yes checking for deflate in -lz... yes checking for H5Pcreate in -lhdf5... yes checking for H5Pcreate... yes checking for hdf5.h... yes checking for H5Pset_mpi... no checking for H5Pset_fapl_mpio... no checking for guile-config... guile-config checking if linking to guile works... yes checking for libguile.h... yes checking for guile/gh.h... no checking for scm_make_smob_type... yes checking for SCM_SMOB_PREDICATE... no checking for SCM_SMOB_DATA... no checking for SCM_NEWSMOB... no checking how to activate readline in Guile... ice-9 readline checking for libctl dir... /usr/share/libctl checking for gen-ctl-io... gen-ctl-io checking for ctl_get_vector3 in -lctl... yes checking for ctl.h... yes checking whether libctl version is at least 4.2.0... checking for egrep -e... (cached) /usr/bin/grep -E ok checking for libctl_quiet feature... yes checking for vector3_dot in -lctlgeom... yes checking for libGDSII.h... yes checking for libGDSIIExists in -lGDSII... yes checking for libGDSII::GetLayers... no checking for feenableexcept... yes checking whether feenableexcept declaration is usable... yes checking whether to catch and ignore SIGFPE signals... yes checking for sys/time.h... yes checking for immintrin.h... no checking for BSDgettimeofday... no checking for gettimeofday... yes checking for cblas_ddot... yes checking for cblas_daxpy... yes checking for jn... yes checking for C/C++ restrict keyword... no checking for swig... swig checking for python... no checking for python2... no checking for python3... /usr/bin/python3 checking for python version... 3.12 checking for python platform... linux checking for GNU default python prefix... ${prefix} checking for GNU default python exec_prefix... ${exec_prefix} checking for python script directory (pythondir)... ${PYTHON_PREFIX}/lib/python3.12/site-packages checking for python extension module directory (pyexecdir)... ${PYTHON_EXEC_PREFIX}/lib/python3.12/site-packages checking for Python include directory... /usr/include/python3.12 checking for Python.h... yes checking for Numpy include directory... /usr/lib/python3/dist-packages/numpy/core/include checking for numpy/arrayobject.h... yes checking that generated files are newer than configure... done configure: creating ./config.status config.status: creating scheme/Makefile config.status: creating scheme/meep.scm config.status: creating libpympb/Makefile config.status: creating python/Makefile config.status: creating Makefile config.status: creating meep-pkgconfig config.status: creating src/Makefile config.status: creating src/support/Makefile config.status: creating tests/Makefile config.status: creating src/meep/meep-config.h config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' dh_auto_build make -j12 make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' Making all in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make sphere_quad make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[4]: warning: jobserver unavailable: using -j1. Add '+' to parent make rule. 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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c fields.cpp -fPIC -DPIC -o .libs/fields.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c fields_dump.cpp -fPIC -DPIC -o .libs/fields_dump.o dft.cpp:269: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 269 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) { boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) 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out[5]; | ^~ monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] 327 | component cc = comp_list[com_it]; | ^~ monitor.cpp:274:15: note: 'comp_list' declared here 274 | component comp_list[3]; | ^~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c near2far.cpp -fPIC -DPIC -o .libs/near2far.o mympi.cpp: In function 'void meep::abort(const char*, ...)': mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' 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-D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 144 | CHUNK_OPENMP libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_db.lo step_db.cpp output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 115 | snprintf(outdirname, buflen, "%s-out", basename); | ^~~~ In file included from /usr/include/stdio.h:970, from output_directory.cpp:18: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); | ^~ ~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~ output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ In file included from sources.cpp:27: meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': meep_internals.hpp:82:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] 82 | std::vector > amp; // amplitudes | ^~~ meep_internals.hpp:78:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] 78 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling | ^~~~~~~~~~~~~~~~~~ sources.cpp:168:1: warning: when initialized here [-Wreorder] 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, | ^~~~~~~ /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o stress.lo stress.cpp /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat 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-Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 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structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^ structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:970, from structure_dump.cpp:22: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~ structure_dump.cpp:748:31: note: directive argument in the range [0, 19] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ structure_dump.cpp:748:31: note: directive argument in the range [0, 4] In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o vec.lo vec.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic.lo step_generic.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 step_generic.cpp:91: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 91 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:97: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 97 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:104: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 104 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:109: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 109 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic.cpp:118: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 118 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:128: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 128 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:138: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 138 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:146: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 146 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:162: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 162 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:172: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 172 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:182: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 182 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:189: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 189 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:202: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 202 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:216: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 216 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:229: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 229 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:239: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 239 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:267: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 267 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:279: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 279 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:290: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 290 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:298: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 298 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:309: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 309 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:317: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 317 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:327: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 327 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic.cpp:330: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 330 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic.cpp:392: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 392 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:407: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 407 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:419: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 419 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:431: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 431 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:447: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 447 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 460 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:473: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 473 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:484: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 484 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 494 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:506: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 506 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:517: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 517 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:526: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 526 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:535: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 535 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:548: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 548 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:558: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 558 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:568: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 568 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:576: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 576 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:583: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 583 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meepgeom.lo meepgeom.cpp /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o step_generic_stride1.cpp:93: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 93 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:93: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:99: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 99 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:99: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:106: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 106 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:106: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:111: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 111 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic_stride1.cpp:111: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:120: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 120 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:120: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:130: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 130 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:130: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:140: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 140 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:140: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:148: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 148 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:148: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:164: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 164 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:164: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:174: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 174 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:174: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:184: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 184 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:184: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:191: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 191 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:191: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:204: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 204 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:204: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:218: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 218 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:218: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:231: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 231 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:231: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:241: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 241 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:241: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:269: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 269 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:269: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:281: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 281 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:281: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:292: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 292 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:292: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:300: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 300 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:300: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:311: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 311 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:311: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:319: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 319 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:319: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 329 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic_stride1.cpp:329: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:332: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 332 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic_stride1.cpp:332: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:394: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 394 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:394: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:409: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 409 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:409: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:421: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 421 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:421: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:433: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 433 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:433: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:449: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 449 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:449: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:462: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 462 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:462: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:475: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 475 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:475: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:486: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 486 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:486: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:508: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 508 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:508: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:519: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 519 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:519: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:528: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 528 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:528: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:537: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 537 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:537: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:550: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 550 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:550: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:560: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 560 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:560: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:570: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 570 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:570: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:578: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 578 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:578: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:585: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 585 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } step_generic_stride1.cpp:585: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { | ^~~~~~~~~~~~ meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] 2685 | std::complex row_1[3], row_2[3], dA_du[3]; | ^~~~~ meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector, std::vector, double*, double, meep::grid_volume&, meep::volume&, geom_epsilon*, double)': meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2838 | for (int i = 0; i < ng * nf; i++) { | ~~^~~~~~~~~ meepgeom.cpp:2854:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2854:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2855 | current_adjoint_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2861:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2861:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2862 | current_forward_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; | ~~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2832:88: warning: unused parameter 'where' [-Wunused-parameter] 2832 | double scalegrad, meep::grid_volume &gv, meep::volume &where, | ~~~~~~~~~~~~~~^~~~~ meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] 2617 | } | ^ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, double, meep::grid_volume&, double)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2825 | vector3_to_vec(p), geps, adjoint_c, forward_c, fwd, adj, freq, gv, tol); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.30 -o .libs/libmeep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.30" && ln -s "libmeep.so.30.0.0" "libmeep.so.30") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.30.0.0" "libmeep.so") libtool: link: (cd .libs/libmeep.lax/libsupport.a && aarch64-linux-gnu-ar x "/build/reproducible-path/meep-1.25.0/src/support/.libs/libsupport.a") libtool: link: aarch64-linux-gnu-ar cr .libs/libmeep.a array_slice.o anisotropic_averaging.o bands.o boundaries.o bicgstab.o casimir.o cw_fields.o dft.o dft_ldos.o energy_and_flux.o fields.o fields_dump.o fix_boundary_sources.o loop_in_chunks.o h5fields.o h5file.o initialize.o integrate.o integrate2.o material_data.o monitor.o mympi.o multilevel-atom.o near2far.o output_directory.o random.o sources.o step.o step_db.o stress.o structure.o structure_dump.o susceptibility.o time.o update_eh.o mpb.o update_pols.o vec.o step_generic.o meepgeom.o GDSIIgeom.o step_generic_stride1.o .libs/libmeep.lax/libsupport.a/mt19937ar.o libtool: link: aarch64-linux-gnu-ranlib .libs/libmeep.a libtool: link: rm -fr .libs/libmeep.lax libtool: link: ( cd ".libs" && rm -f "libmeep.la" && ln -s "../libmeep.la" "libmeep.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' Making all in tests make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[3]: Nothing to be done for 'all'. make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' Making all in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' gen-ctl-io --cxx --header -o ctl-io.h meep.scm /usr/share/libctl gen-ctl-io --cxx --swig -o ctl-io.i meep.scm /usr/share/libctl (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; perl -pe 's/^ *class +([A-Za-z_0-9:]*)( *| *:[^{]*){.*$/%rename(meep_\1) meep::\1;/' ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | grep "%rename" | sed '/meep_fields_chunk/d ; /meep_comms_manager/d ; /meep_comms_key_hash_fn/d ; /meep_timing_scope/d' | sort -u; echo; grep -hv typedef ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/(inline|const|extern|static) +//g' | perl -pe 's/^[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%rename(meep_\1) meep::\1;/' | grep "%rename" | sed '/choose_chunkdivision/d ; /meep_create_comms_manager/d' | sort -u; ) > meep_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; for f in ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp; do egrep "^enum" $f | perl -pe 's/enum +([A-Za-z_0-9:]+).*$/\1/g' | while read enum; do cat $f | tr -d '\n' | perl -pe 's/.*enum +'${enum}' *{([^}]*)}.*/\1/g' | perl -pe 's/= *[0-9]+//g' |tr -d ' \t' | tr ',' '\n' | perl -pe 's/^(.*)$/'"%rename(meep_${enum}_\1) meep::\1;/g"; echo; done; done;) > meep_enum_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; grep -h friend ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/^ *friend +[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%ignore \1;/' | grep "%ignore" | sort -u;) > meep_swig_bug_workaround.i (perl -pe 's/%rename\(([A-Za-z0-9_]*)\) *([A-Za-z0-9:_]*);$/(define \2 (\1))/' meep_enum_renames.i | perl -pe 's/[A-Za-z0-9:_]*:://g' | perl -pe 's/_/-/g' | perl -pe 's,//,;,'; echo "(define Centered Dielectric)") > meep-enums.scm ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.25.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.6/usr/share/libctl/base/include.scm.go swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.25.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.6/usr/share/libctl/base/include.scm.go cp -f /usr/share/libctl/base/main.c main.cpp cp -f /usr/share/libctl/utils/geom.c geom.cpp gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl patch -p0 meep_wrap.cxx < ./meep_wrap.patch patching file meep_wrap.cxx Hunk #1 succeeded at 813 (offset 62 lines). sed -i.bak '/(SCM_SMOB_PREDICATE(swig_tag, smob) || SCM_SMOB_PREDICATE(swig_collectable_tag, smob))/ s/swig_collectable_tag, smob)/swig_collectable_tag, smob) || SCM_SMOB_PREDICATE((swig_collectable_tag \& ~0xff00), (smob))/' meep_wrap.cxx; make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-meep.o `test -f 'meep.cpp' || echo './'`meep.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-structure.o `test -f 'structure.cpp' || echo './'`structure.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-meep_wrap.o `test -f 'meep_wrap.cxx' || echo './'`meep_wrap.cxx aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-main.o `test -f 'main.cpp' || echo './'`main.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-geom.o `test -f 'geom.cpp' || echo './'`geom.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.25.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-ctl-io.o `test -f 'ctl-io.cpp' || echo './'`ctl-io.cpp geom.cpp:22:9: warning: "_GNU_SOURCE" redefined 22 | #define _GNU_SOURCE | ^~~~~~~~~~~ : note: this is the location of the previous definition In file included from ctl-io.h:7, from main.cpp:37: main.cpp: In function 'void main_entry(void*, int, char**)': main.cpp:194:31: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 194 | gh_new_procedure("subplex", (SCM(*)(void))subplex_scm, 7, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:202:44: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 202 | gh_new_procedure("adaptive-integration", (SCM(*)(void))adaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:205:45: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 205 | gh_new_procedure("cadaptive-integration", (SCM(*)(void))cadaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)': geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] 2357 | vector3 axisp = vector3_scale(height, zhatp); | ^~~~~ In file included from ctl-io.h:7, from ctl-io.cpp:7: ctl-io.cpp: In function 'void ctlio::export_external_functions()': ctl-io.cpp:2229:38: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2229 | gh_new_procedure("square-basis-aux", (SCM (*)()) square_basis_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2230:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2230 | gh_new_procedure("range-overlap-with-object-aux", (SCM (*)()) range_overlap_with_object_aux, 5, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2231:55: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2231 | gh_new_procedure("display-geometric-object-info-aux", (SCM (*)()) display_geometric_object_info_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2232:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2232 | gh_new_procedure("point-in-periodic-object?-aux", (SCM (*)()) point_in_periodic_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2233:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2233 | gh_new_procedure("normal-to-object-aux", (SCM (*)()) normal_to_object_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2234:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2234 | gh_new_procedure("point-in-object?-aux", (SCM (*)()) point_in_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)': meep_wrap.cxx:36013:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36013 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36016:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36016 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_1(int, scm_unused_struct**)': meep_wrap.cxx:36078:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36078 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36081:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36081 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_2(int, scm_unused_struct**)': meep_wrap.cxx:36142:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36142 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36145 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 581 | mat2 = mat1; | ~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 595 | mat_front = mat1; | ~~~~~~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:30:1: warning: multi-line comment [-Wcomment] 30 | // #define LOOP_XYZ(md) \ | ^ pympb.cpp: In member function 'void py_mpb::mode_solver::fix_field_phase()': pympb.cpp:56:16: warning: comparison between two arrays [-Warray-compare] 56 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:71:9: note: in definition of macro 'CHECK' 71 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2012:3: note: in expansion of macro 'mpi_allreduce' 2012 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ pympb.cpp:56:16: note: use unary '+' which decays operands to pointers or '&(sq_sum2)[0] != &(sq_sum)[0]' to compare the addresses 56 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:71:9: note: in definition of macro 'CHECK' 71 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2012:3: note: in expansion of macro 'mpi_allreduce' 2012 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.30" && ln -s "libpympb.so.30.0.0" "libpympb.so.30") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.30.0.0" "libpympb.so") libtool: link: aarch64-linux-gnu-ar cr .libs/libpympb.a libpympb_la-pympb.o libtool: link: aarch64-linux-gnu-ranlib .libs/libpympb.a libtool: link: ( cd ".libs" && rm -f "libpympb.la" && ln -s "../libpympb.la" "libpympb.la" ) make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' Making all in python make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/python' swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o meep-python.cxx ./meep.i swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o mpb-python.cxx ./mpb.i ../src/meep.hpp:1633: Warning 362: operator= ignored ../src/meep.hpp:1633: Warning 362: operator= ignored cp meep.py __init__.py echo "__version__ = '1.25.0'" >> __init__.py if [[ "4.2.1" = 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' __init__.py; \ sed -i.bak 's/ import _meep/from . import _meep/' __init__.py; \ fi if [[ "4.2.1" == 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' mpb.py; \ sed -i.bak 's/ import _mpb/from . import _mpb/' mpb.py; \ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx /bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o In file included from mpb-python.cxx:3362: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector, std::vector, std::vector, std::vector, std::vector, meep::grid_volume&, const meep::boundary_region&, const meep::symmetry&, int, double, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep::structure*, bool, const meep::binary_partition*)': meep-python.cxx:7494:62: warning: unused parameter 'alist' [-Wunused-parameter] 7494 | meep_geom::absorber_list alist, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx:7495:67: warning: unused parameter 'extra_materials' [-Wunused-parameter] 7495 | meep_geom::material_type_list extra_materials, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~ meep-python.cxx:7497:42: warning: unused parameter 'set_materials' [-Wunused-parameter] 7497 | bool set_materials, | ~~~~~^~~~~~~~~~~~~ meep-python.cxx: In function 'meep_geom::geom_epsilon* _set_materials(meep::structure*, vector3, meep::grid_volume&, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep_geom::geom_epsilon*, bool, const meep::binary_partition*)': meep-python.cxx:7541:29: warning: unused parameter 'cell_size' [-Wunused-parameter] 7541 | vector3 cell_size, | ~~~~~~~~^~~~~~~~~ meep-python.cxx:7542:40: warning: unused parameter 'gv' [-Wunused-parameter] 7542 | meep::grid_volume &gv, | ~~~~~~~~~~~~~~~~~~~^~ meep-python.cxx:7555:26: warning: unused parameter 'output_chunk_costs' [-Wunused-parameter] 7555 | bool output_chunk_costs, | ~~~~~^~~~~~~~~~~~~~~~~~ meep-python.cxx:7556:51: warning: unused parameter 'my_bp' [-Wunused-parameter] 7556 | const meep::binary_partition *my_bp) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:25531:87: warning: unused parameter 'varargs' [-Wunused-parameter] 25531 | SWIGINTERN PyObject *_wrap_abort__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort(PyObject*, PyObject*)': meep-python.cxx:25564:44: warning: unused parameter 'self' [-Wunused-parameter] 25564 | SWIGINTERN PyObject *_wrap_abort(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125657:95: warning: unused parameter 'varargs' [-Wunused-parameter] 125657 | SWIGINTERN PyObject *_wrap_master_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf(PyObject*, PyObject*)': meep-python.cxx:125690:52: warning: unused parameter 'self' [-Wunused-parameter] 125690 | SWIGINTERN PyObject *_wrap_master_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125704:102: warning: unused parameter 'varargs' [-Wunused-parameter] 125704 | SWIGINTERN PyObject *_wrap_master_printf_stderr__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr(PyObject*, PyObject*)': meep-python.cxx:125737:59: warning: unused parameter 'self' [-Wunused-parameter] 125737 | SWIGINTERN PyObject *_wrap_master_printf_stderr(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125751:94: warning: unused parameter 'varargs' [-Wunused-parameter] 125751 | SWIGINTERN PyObject *_wrap_debug_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf(PyObject*, PyObject*)': meep-python.cxx:125784:51: warning: unused parameter 'self' [-Wunused-parameter] 125784 | SWIGINTERN PyObject *_wrap_debug_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:125798:96: warning: unused parameter 'varargs' [-Wunused-parameter] 125798 | SWIGINTERN PyObject *_wrap_master_fprintf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf(PyObject*, PyObject*)': meep-python.cxx:125840:53: warning: unused parameter 'self' [-Wunused-parameter] 125840 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 In file included from meep-python.cxx:4065: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.30 -o .libs/_mpb.so.30.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.30" && ln -s "_mpb.so.30.0.0" "_mpb.so.30") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.30.0.0" "_mpb.so") libtool: link: aarch64-linux-gnu-ar cr .libs/_mpb.a _mpb_la-mpb-python.o libtool: link: aarch64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.30" && ln -s "_meep.so.30.0.0" "_meep.so.30") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.30.0.0" "_meep.so") libtool: link: aarch64-linux-gnu-ar cr .libs/_meep.a _meep_la-meep-python.o libtool: link: aarch64-linux-gnu-ranlib .libs/_meep.a libtool: link: ( cd ".libs" && rm -f "_meep.la" && ln -s "../_meep.la" "_meep.la" ) mkdir -p meep/adjoint cp __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py .libs/_meep.so meep cp ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/wrapper.py ./adjoint/utils.py meep/adjoint mkdir -p meep/mpb cp .libs/_mpb.so meep/mpb cp ./mpb.py meep/mpb/__init__.py cp ./solver.py ./mpb_data.py meep/mpb make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.25.0' cp -f ./meep-pkgconfig meep.pc make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' echo arm64 arm64 if [ "arm64" = "armel" ] || \ [ "arm64" = "riscv64" ] || \ [ "arm64" = "hurd-i386" ] ; then \ echo "Do not make tests on this architecture" ;\ else \ echo "Do make tests on this architecture" ;\ make check; \ find; \ cat python/test-suite.log; \ fi Do make tests on this architecture make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' Making check in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make check-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making check in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Nothing to be done for 'check'. make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[5]: Nothing to be done for 'check-am'. make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' Making check in tests make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial 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-D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o user-defined-material.o user-defined-material.cpp /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o user-defined-material user-defined-material.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/user-defined-material user-defined-material.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o dft-fields.o dft-fields.cpp /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o dft-fields dft-fields.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/dft-fields dft-fields.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o gdsII-3d.o gdsII-3d.cpp /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o gdsII-3d gdsII-3d.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/gdsII-3d gdsII-3d.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bend-flux-ll.o bend-flux-ll.cpp /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bend-flux-ll bend-flux-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/bend-flux-ll bend-flux-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o array-metadata.o array-metadata.cpp /bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make check-TESTS make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' PASS: aniso_disp PASS: bench PASS: bragg_transmission PASS: convergence_cyl_waveguide PASS: cylindrical PASS: dump_load PASS: flux PASS: harmonics PASS: integrate PASS: known_results PASS: near2far PASS: one_dimensional PASS: physical PASS: stress_tensor PASS: symmetry PASS: three_d PASS: two_dimensional PASS: 2D_convergence PASS: h5test PASS: pml PASS: cyl-ellipsoid-ll PASS: array-slice-ll PASS: ring-ll ============================================================================ Testsuite summary for meep 1.25.0 ============================================================================ # TOTAL: 23 # PASS: 23 # SKIP: 0 # XFAIL: 0 # FAIL: 0 # XPASS: 0 # ERROR: 0 ============================================================================ make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' Making check in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make[4]: Nothing to be done for 'check-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making check in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' make[3]: Nothing to be done for 'check'. make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' Making check in python make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make check-TESTS make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/python' PASS: tests/test_3rd_harm_1d.py PASS: tests/test_absorber_1d.py FAIL: tests/test_adjoint_solver.py FAIL: tests/test_adjoint_utils.py FAIL: tests/test_adjoint_cyl.py FAIL: tests/test_adjoint_jax.py PASS: tests/test_antenna_radiation.py PASS: tests/test_array_metadata.py PASS: tests/test_bend_flux.py FAIL: tests/test_binary_partition_utils.py FAIL: tests/test_binary_grating.py PASS: tests/test_cavity_arrayslice.py PASS: tests/test_cavity_farfield.py FAIL: tests/test_chunk_balancer.py PASS: tests/test_chunk_layout.py PASS: tests/test_chunks.py PASS: tests/test_conductivity.py PASS: tests/test_cyl_ellipsoid.py PASS: tests/test_dft_energy.py PASS: tests/test_dft_fields.py PASS: tests/test_diffracted_planewave.py PASS: tests/test_dispersive_eigenmode.py PASS: tests/test_divide_mpi_processes.py PASS: tests/test_dump_load.py PASS: tests/test_eigfreq.py PASS: tests/test_faraday_rotation.py PASS: tests/test_field_functions.py PASS: tests/test_force.py PASS: tests/test_fragment_stats.py PASS: tests/test_gaussianbeam.py PASS: tests/test_geom.py PASS: tests/test_get_point.py FAIL: tests/test_get_epsilon_grid.py PASS: tests/test_holey_wvg_bands.py PASS: tests/test_holey_wvg_cavity.py PASS: tests/test_integrated_source.py PASS: tests/test_kdom.py PASS: tests/test_ldos.py PASS: tests/test_material_dispersion.py FAIL: tests/test_material_grid.py PASS: tests/test_materials_library.py PASS: tests/test_medium_evaluations.py FAIL: tests/test_mpb.py PASS: tests/test_mode_coeffs.py PASS: tests/test_mode_decomposition.py FAIL: tests/test_multilevel_atom.py PASS: tests/test_n2f_periodic.py PASS: tests/test_oblique_source.py PASS: tests/test_physical.py PASS: tests/test_prism.py PASS: tests/test_pw_source.py FAIL: tests/test_refl_angular.py FAIL: tests/test_ring.py PASS: tests/test_ring_cyl.py PASS: tests/test_simulation.py FAIL: tests/test_special_kz.py PASS: tests/test_source.py PASS: tests/test_timing_measurements.py PASS: tests/test_user_defined_material.py PASS: tests/test_visualization.py PASS: tests/test_wvg_src.py ============================================================================ Testsuite summary for meep 1.25.0 ============================================================================ # TOTAL: 61 # PASS: 47 # SKIP: 0 # XFAIL: 0 # FAIL: 14 # XPASS: 0 # ERROR: 0 ============================================================================ See python/test-suite.log ============================================================================ make[6]: *** [Makefile:1119: test-suite.log] Error 1 make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[5]: *** [Makefile:1227: check-TESTS] Error 2 make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[4]: *** [Makefile:1292: check-am] Error 2 make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: *** [Makefile:1294: check] Error 2 make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[2]: *** [Makefile:518: check-recursive] Error 1 make[2]: Leaving directory '/build/reproducible-path/meep-1.25.0' . ./meep.pc ./libtool ./stamp-h1 ./config.h ./meep-pkgconfig ./Makefile ./config.status ./config.log ./test-driver ./depcomp ./py-compile ./Makefile.in ./missing ./install-sh ./config.sub ./config.guess ./compile ./config.h.in ./configure ./aclocal.m4 ./ltmain.sh ./autom4te.cache ./autom4te.cache/output.1 ./autom4te.cache/traces.1 ./autom4te.cache/output.3 ./autom4te.cache/traces.3 ./autom4te.cache/output.2 ./autom4te.cache/traces.2 ./autom4te.cache/output.0 ./autom4te.cache/traces.0 ./autom4te.cache/requests ./configure.ac ./.pc ./.pc/python-distutils.patch ./.pc/python-distutils.patch/python ./.pc/python-distutils.patch/python/visualization.py ./.pc/python-distutils.patch/doc ./.pc/python-distutils.patch/doc/docs ./.pc/python-distutils.patch/doc/docs/setup.py ./.pc/python-distutils.patch/configure.ac ./.pc/applied-patches 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./doc/docs/Python_Tutorials/Frequency_Domain_Solver.md ./doc/docs/Python_Tutorials/Eigenmode_Source.md ./doc/docs/Python_Tutorials/Cylindrical_Coordinates.md ./doc/docs/Python_Tutorials/Custom_Source.md ./doc/docs/Python_Tutorials/Basics.md ./doc/docs/Python_Tutorials/Adjoint_Solver.md ./doc/docs/Python_Developer_Information.md ./doc/docs/Perfectly_Matched_Layer.md ./doc/docs/Parallel_Meep.md ./doc/docs/Mode_Decomposition.md ./doc/docs/Materials.md ./doc/docs/License_and_Copyright.md ./doc/docs/Introduction.md ./doc/docs/Installation.md ./doc/docs/Guile_and_Scheme_Information.md ./doc/docs/Field_Functions.md ./doc/docs/FAQ.md ./doc/docs/Exploiting_Symmetry.md ./doc/docs/Eigensolver_Math.md ./doc/docs/Download.md ./doc/docs/Developer_Codes ./doc/docs/Developer_Codes/WriteChunkInfo.cpp ./doc/docs/Developer_Codes/Makefile.manual ./doc/docs/Chunks_and_Symmetry.md ./doc/docs/C++_Tutorial.md ./doc/docs/C++_Developer_Information.md ./doc/docs/Build_From_Source.md ./doc/docs/Acknowledgements.md ./doc/docs/2d_Cell_Special_kz.md ./doc/_api_snippets ./doc/_api_snippets/method_template.md ./doc/_api_snippets/function_template.md ./doc/_api_snippets/class_template.md ./doc/README.md ./contrib ./contrib/build-meep.sh ./codemeta.json ./codecov.yml ./autogen.sh ./add_type_hints.xonsh ./TODO ./README.md ./NEWS.md ./Makefile.am ./LICENSE ./COPYRIGHT ./AUTHORS ./.travis.yml ./.sourcery.yaml ./.pre-commit-config.yaml ./.mailmap ./.gitignore ./.github ./.github/workflows ./.github/workflows/pre-commit.yml ./.github/workflows/build-san.yml ./.github/workflows/build-ci.yml ./.github/dependabot.yml ./.gitattributes ./.flake8 ./.clang-format ======================================== meep 1.25.0: python/test-suite.log ======================================== # TOTAL: 61 # PASS: 47 # SKIP: 0 # XFAIL: 0 # FAIL: 14 # XPASS: 0 # ERROR: 0 .. contents:: :depth: 2 FAIL: tests/test_adjoint_solver =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-lby7qqyv because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_solver.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 1.1081 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-lsoy3p3p because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_utils.py", line 13, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 1.2564 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ Matplotlib created a temporary cache directory at /tmp/matplotlib-2d8na6vb because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_cyl.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 1.3297 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax ============================ Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_jax.py", line 3, in import jax ModuleNotFoundError: No module named 'jax' FAIL tests/test_adjoint_jax.py (exit status: 1) FAIL: tests/test_binary_partition_utils ======================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-5awzp2ey because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0070 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating =============================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_binary_grating.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_binary_grating.py (exit status: 1) FAIL: tests/test_chunk_balancer =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-uiqbe03e because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0010 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-lob_8b_q because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.8235 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-bsp61nw7 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_material_grid.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.25.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.25.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.8024 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== Matplotlib created a temporary cache directory at /tmp/matplotlib-2zqjwac_ because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. /tmp/meepuUBjUW/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.3, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.009730100631713867 solve_kpoint (0,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8 Solving for bands 3 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 10.77194213866493 (192.122% change) linmin: converged after 7 iterations. iteration 2: trace = 3.0754972925257 (111.161% change) linmin: converged after 5 iterations. iteration 3: trace = 1.71668476265345 (56.7096% change) linmin: converged after 7 iterations. iteration 4: trace = 1.227420708969451 (33.2369% change) linmin: converged after 5 iterations. iteration 5: trace = 1.060832724595333 (14.5603% change) linmin: converged after 7 iterations. iteration 6: trace = 0.959975852113978 (9.98183% change) linmin: converged after 5 iterations. iteration 7: trace = 0.909240400209034 (5.42853% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8807679450969029 (3.18127% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8627797420484471 (2.0634% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8516588552680404 (1.29732% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8438574996288519 (0.920234% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8394516798595164 (0.523471% change) linmin: converged after 5 iterations. iteration 13: trace = 0.836629069249995 (0.336811% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8347678523808513 (0.222714% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8337466495477653 (0.122409% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8330292235347097 (0.0860855% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8325947181531635 (0.0521733% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8323092192026496 (0.0342961% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8321766146416989 (0.0159334% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8321119589360675 (0.00776977% change) linmin: converged after 7 iterations. iteration 21: trace = 0.8320745163302404 (0.00449981% change) linmin: converged after 4 iterations. iteration 22: trace = 0.832051317003098 (0.00278817% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320378597035315 (0.00161738% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8320296693273964 (0.00098438% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8320254490100094 (0.000507233% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8320231011390418 (0.000282188% change) linmin: converged after 5 iterations. iteration 27: trace = 0.8320218176827396 (0.000154257% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8320210651241119 (9.04494e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 0.8320205764596325 (5.87322e-05% change) linmin: converged after 19 iterations. iteration 30: trace = 0.8320203215435755 (3.06382e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 0.8320202068470011 (1.37853e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320201439100389 (7.56436e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320201056776415 (4.59513e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200829980432 (2.72585e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 0.8320200693466452 (1.64075e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8320200636019381 (6.90453e-07% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200604494776 (3.78892e-07% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8320200588885164 (1.87611e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 0.8320200580360128 (1.02462e-07% change) linmin: converged after 19 iterations. iteration 40: trace = 0.8320200576147273 (5.0634e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 0.8320200574061474 (2.50691e-08% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8320200572926048 (1.36466e-08% change) linmin: converged after 9 iterations. iteration 43: trace = 0.8320200572315926 (7.33302e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 0.832020057198161 (4.01812e-09% change) linmin: converged after 5 iterations. iteration 45: trace = 0.8320200571762048 (2.6389e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8320200571626069 (1.63432e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 0.8320200571545783 (9.6495e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 0.832020057150025 (5.47252e-10% change) linmin: converged after 4 iterations. iteration 49: trace = 0.8320200571472434 (3.34327e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 0.8320200571454062 (2.20812e-10% change) linmin: converged after 6 iterations. iteration 51: trace = 0.8320200571444556 (1.14249e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 0.8320200571439178 (6.46369e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 elapsed time for k point: 0.26336121559143066 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8411857073604645 (1.48851% change) linmin: converged after 8 iterations. iteration 2: trace = 0.8364158268943164 (0.568655% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8353099576195202 (0.132303% change) linmin: converged after 6 iterations. iteration 4: trace = 0.8342493413734591 (0.127053% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8327506867263736 (0.179803% change) linmin: converged after 5 iterations. iteration 6: trace = 0.8318022392492346 (0.113958% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8313248193318883 (0.0574123% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8309940498477346 (0.0397962% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8307771087497984 (0.0261096% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8306786823965296 (0.0118482% change) linmin: converged after 4 iterations. iteration 11: trace = 0.830620418876548 (0.00701421% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8305831498030515 (0.004487% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8305591613818109 (0.00288818% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8305450047313113 (0.00170449% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8305386872319382 (0.000760648% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8305355879462613 (0.000373166% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8305341210791168 (0.000176617% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8305331675841161 (0.000114805% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8305325811294096 (7.06119e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8305322746123353 (3.69061e-05% change) linmin: converged after 7 iterations. iteration 21: trace = 0.8305320916748304 (2.20265e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8305320019893665 (1.07986e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8305319557056104 (5.57278e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8305319292924483 (3.18027e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8305319161092475 (1.58732e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8305319042197319 (1.43155e-06% change) linmin: converged after 21 iterations. iteration 27: trace = 0.8305318965921982 (9.18391e-07% change) linmin: converged after 10 iterations. iteration 28: trace = 0.8305318905535406 (7.27083e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8305318875553995 (3.6099e-07% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8305318858786155 (2.01893e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8305318849630696 (1.10236e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8305318845533121 (4.93368e-08% change) linmin: converged after 12 iterations. iteration 33: trace = 0.830531884211193 (4.11928e-08% change) linmin: converged after 15 iterations. iteration 34: trace = 0.8305318840358398 (2.11134e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8305318839403582 (1.14964e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8305318839001288 (4.84381e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 0.830531883874691 (3.06283e-09% change) linmin: converged after 24 iterations. iteration 38: trace = 0.8305318838577096 (2.04464e-09% change) linmin: converged after 18 iterations. iteration 39: trace = 0.8305318838472706 (1.2569e-09% change) linmin: converged after 23 iterations. iteration 40: trace = 0.8305318838419788 (6.37154e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8305318838394073 (3.09621e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8305318838374599 (2.34481e-10% change) linmin: converged after 19 iterations. iteration 43: trace = 0.8305318838359887 (1.77134e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8305318838350271 (1.1579e-10% change) linmin: converged after 4 iterations. iteration 45: trace = 0.8305318838345979 (5.16792e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 elapsed time for k point: 0.3544275760650635 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.836315860096732 (1.66557% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8340975083083036 (0.265605% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8332458664916265 (0.102156% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8322497918498211 (0.119613% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8311832900375034 (0.128229% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8306432394277228 (0.0649948% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8303416617015291 (0.0363131% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8301707132794689 (0.0205898% change) linmin: converged after 4 iterations. iteration 9: trace = 0.830078155996353 (0.0111498% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8300183450119853 (0.00720572% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8299838209971111 (0.00415951% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8299580236592101 (0.00310822% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8299441420167275 (0.00167259% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8299355104420545 (0.00104002% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8299314094940895 (0.00049413% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8299288478334526 (0.00030866% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8299269859865059 (0.000224338% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8299257864059029 (0.000144541% change) linmin: converged after 5 iterations. iteration 19: trace = 0.8299250658247074 (8.68248e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8299246454651557 (5.06503e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8299243778997404 (3.22397e-05% change) linmin: converged after 7 iterations. iteration 22: trace = 0.8299242050799038 (2.08236e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8299241006170228 (1.2587e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8299240288709508 (8.6449e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8299239857346447 (5.19762e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8299239648673498 (2.51436e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8299239559095053 (1.07936e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8299239507817767 (6.17855e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.829923948679026 (2.53367e-07% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8299239474471369 (1.48434e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8299239467745021 (8.10478e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8299239462912059 (5.82338e-08% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8299239460822325 (2.51798e-08% change) linmin: converged after 24 iterations. iteration 34: trace = 0.829923945946898 (1.63069e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8299239458765898 (8.47164e-09% change) linmin: converged after 10 iterations. iteration 36: trace = 0.8299239458198523 (6.83647e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8299239457895662 (3.64926e-09% change) linmin: converged after 22 iterations. iteration 38: trace = 0.8299239457730856 (1.9858e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8299239457622447 (1.30625e-09% change) linmin: converged after 23 iterations. iteration 40: trace = 0.8299239457533909 (1.06682e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 0.8299239457488158 (5.5127e-10% change) linmin: converged after 16 iterations. iteration 42: trace = 0.8299239457466069 (2.66157e-10% change) linmin: converged after 2 iterations. iteration 43: trace = 0.829923945745775 (1.00237e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8299239457452547 (6.26865e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 elapsed time for k point: 0.34191417694091797 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. iteration 1: trace = 0.8384579710388014 (1.6581% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8362067464145161 (0.268857% change) linmin: converged after 4 iterations. iteration 3: trace = 0.834959121441012 (0.149312% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8329527435092523 (0.240586% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8312082200197433 (0.209658% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8301835396589363 (0.123352% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8295953310521766 (0.0708779% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8291618777609253 (0.0522624% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8288536352392206 (0.0371821% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8286314540975082 (0.0268094% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8284802607009891 (0.0182478% change) linmin: converged after 3 iterations. iteration 12: trace = 0.828394573579545 (0.0103432% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8283427444947822 (0.00625677% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8283194330460465 (0.00281427% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8283033017531329 (0.00194749% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8282937079890141 (0.00115825% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8282878480627425 (0.000707472% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8282850045906595 (0.000343296% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8282833184112278 (0.000203575% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8282822463842839 (0.000129428% change) linmin: converged after 5 iterations. iteration 21: trace = 0.828281645933129 (7.24936e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8282813061972929 (4.1017e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8282810615722307 (2.95341e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8282809635218542 (1.18378e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8282809080507751 (6.69713e-06% change) linmin: converged after 7 iterations. iteration 26: trace = 0.8282808797258102 (3.41973e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8282808634907819 (1.96009e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8282808551640518 (1.0053e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8282808490579532 (7.37201e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8282808456817429 (4.07617e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8282808435851823 (2.53122e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8282808424976488 (1.313e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8282808418243391 (8.129e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8282808413684856 (5.50361e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8282808411400967 (2.75738e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8282808410003623 (1.68704e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8282808409003344 (1.20766e-08% change) linmin: converged after 27 iterations. iteration 38: trace = 0.8282808408204201 (9.64821e-09% change) linmin: converged after 7 iterations. iteration 39: trace = 0.8282808407815183 (4.69669e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8282808407436563 (4.57116e-09% change) linmin: converged after 25 iterations. iteration 41: trace = 0.8282808407148372 (3.47938e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8282808406920066 (2.75639e-09% change) linmin: converged after 2 iterations. iteration 43: trace = 0.8282808406803972 (1.40162e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8282808406737886 (7.9787e-10% change) linmin: converged after 10 iterations. iteration 45: trace = 0.8282808406704848 (3.98875e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8282808406687536 (2.09008e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 0.8282808406678077 (1.14202e-10% change) linmin: converged after 7 iterations. iteration 48: trace = 0.828280840667425 (4.62034e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 elapsed time for k point: 0.3673288822174072 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8297766891059705 (1.76584% change) linmin: converged after 4 iterations. iteration 2: trace = 0.827126168465749 (0.319937% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8255817084558966 (0.186901% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8228149488845111 (0.335691% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8213029828484377 (0.183924% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8204117591652833 (0.108572% change) linmin: converged after 4 iterations. iteration 7: trace = 0.820078298876689 (0.0406537% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8198547383796821 (0.0272646% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8197334194501104 (0.0147987% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8196549411872421 (0.00957409% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8196169098404152 (0.00464003% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8195957363298469 (0.00258338% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8195850475611317 (0.00130416% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8195801359377121 (0.000599284% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8195775858623278 (0.000311145% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8195759931744636 (0.000194331% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8195753474397359 (7.87889e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8195750259742762 (3.92234e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8195748466735 (2.18773e-05% change) linmin: converged after 9 iterations. iteration 20: trace = 0.8195747606874673 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8195747077048916 (6.46464e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8195746734680514 (4.17739e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8195746498620211 (2.88028e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8195746392254357 (1.29782e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.819574632834841 (7.79745e-07% change) linmin: converged after 13 iterations. iteration 26: trace = 0.8195746295494708 (4.00863e-07% change) linmin: converged after 13 iterations. iteration 27: trace = 0.819574628150171 (1.70735e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8195746272400561 (1.11047e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8195746268100966 (5.24613e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8195746265188533 (3.55359e-08% change) linmin: converged after 27 iterations. iteration 31: trace = 0.8195746264084736 (1.34679e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8195746263156771 (1.13225e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8195746262714612 (5.39499e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8195746262510966 (2.48478e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8195746262406717 (1.27199e-09% change) linmin: converged after 15 iterations. iteration 36: trace = 0.8195746262340665 (8.05925e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 0.8195746262311596 (3.54684e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8195746262301503 (1.2315e-10% change) linmin: converged after 11 iterations. iteration 39: trace = 0.8195746262296728 (5.82628e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 elapsed time for k point: 0.3056023120880127 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8202060387200576 (1.70382% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8182750241160189 (0.235708% change) linmin: converged after 4 iterations. iteration 3: trace = 0.817535559432626 (0.0904096% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8164009027530945 (0.138886% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8158262222327872 (0.0704167% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8155045628218415 (0.0394352% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8153935931190388 (0.0136084% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8153330404418098 (0.00742647% change) linmin: converged after 7 iterations. iteration 9: trace = 0.8153020394554229 (0.00380232% change) linmin: converged after 4 iterations. iteration 10: trace = 0.815283053454816 (0.00232873% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8152730327975205 (0.00122911% change) linmin: converged after 4 iterations. iteration 12: trace = 0.815266489638716 (0.000802576% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8152634044378041 (0.000378429% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8152616169738826 (0.00021925% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8152605303295448 (0.000133288% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8152599189119256 (7.49966e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8152596059346907 (3.83899e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8152594642120827 (1.73837e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8152593920835759 (8.84731e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8152593577039601 (4.21702e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8152593354987897 (2.72369e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 0.8152593247016575 (1.32438e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8152593173087741 (9.06814e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8152593138254385 (4.27267e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8152593120047846 (2.23322e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8152593112736239 (8.96844e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8152593110092122 (3.24328e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8152593108493351 (1.96106e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8152593107911446 (7.13768e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8152593107576598 (4.10725e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8152593107456172 (1.47715e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 0.8152593107377903 (9.60044e-10% change) linmin: converged after 10 iterations. iteration 33: trace = 0.8152593107338376 (4.84843e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8152593107317028 (2.61861e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8152593107306813 (1.253e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8152593107299846 (8.54532e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 elapsed time for k point: 0.2749059200286865 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8213704099867726 (1.52178% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8169092598691136 (0.544614% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8151043146603212 (0.221192% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8124543005631838 (0.325643% change) linmin: converged after 4 iterations. iteration 5: trace = 0.811240168559422 (0.149552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8106456426067773 (0.0733129% change) linmin: converged after 4 iterations. iteration 7: trace = 0.810403371041347 (0.0298907% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8102812528478489 (0.01507% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8102098418733521 (0.0088135% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8101705321405788 (0.00485191% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8101434675866164 (0.00334066% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8101271596843558 (0.00201298% change) linmin: converged after 4 iterations. iteration 13: trace = 0.810119052953955 (0.00100068% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8101141957189366 (0.000599572% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8101112551273706 (0.000362985% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101100249752458 (0.00015185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8101093505151843 (8.32554e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 0.8101090557261185 (3.63888e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101089101963076 (1.79642e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8101088685543416 (5.14029e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8101088443461921 (2.98826e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101088339233451 (1.2866e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8101088287653663 (6.36702e-07% change) linmin: converged after 17 iterations. iteration 24: trace = 0.8101088257061436 (3.77631e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 0.8101088238653266 (2.27231e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.810108822665528 (1.48103e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8101088219921038 (8.31276e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.810108821643532 (4.30278e-08% change) linmin: converged after 29 iterations. iteration 29: trace = 0.8101088214253349 (2.69343e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8101088213419808 (1.02892e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8101088213102635 (3.91519e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 0.8101088212925482 (2.18678e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8101088212829829 (1.18075e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8101088212792966 (4.55034e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8101088212770255 (2.80342e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.810108821275652 (1.69554e-10% change) linmin: converged after 10 iterations. iteration 37: trace = 0.8101088212748289 (1.01606e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8101088212743903 (5.41332e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 elapsed time for k point: 0.2932772636413574 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.809273371128195 (1.38558% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8062984969773834 (0.368275% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8053330558378826 (0.119809% change) linmin: converged after 5 iterations. iteration 4: trace = 0.80405922806096 (0.158299% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8034666835426599 (0.0737213% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8031100766844055 (0.0443934% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8029749352577331 (0.0168287% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028924749265977 (0.0102699% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8028467143041492 (0.00569963% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8028180397698028 (0.00357167% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8027995733460006 (0.00230023% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8027906687323354 (0.0011092% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8027867967539712 (0.000482316% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8027849000552016 (0.000236265% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8027839219051782 (0.000121845% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027834732207151 (5.58911e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8027832650213437 (2.59347e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8027831684655311 (1.20276e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027831163738792 (6.48888e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8027830991936692 (2.14008e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8027830866479162 (1.56278e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027830797597423 (8.58037e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8027830760515255 (4.6192e-07% change) linmin: converged after 9 iterations. iteration 24: trace = 0.8027830736191423 (3.02994e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8027830724307873 (1.48029e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8027830717575404 (8.38641e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8027830715079984 (3.10846e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8027830713939041 (1.42123e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8027830713270425 (8.32873e-09% change) linmin: converged after 14 iterations. iteration 30: trace = 0.8027830712989859 (3.49493e-09% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8027830712879676 (1.37251e-09% change) linmin: converged after 16 iterations. iteration 32: trace = 0.8027830712796187 (1.03999e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8027830712735203 (7.5965e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027830712713143 (2.74796e-10% change) linmin: converged after 6 iterations. iteration 35: trace = 0.8027830712698051 (1.88001e-10% change) linmin: converged after 15 iterations. iteration 36: trace = 0.802783071268766 (1.29432e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8027830712683004 (5.80017e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 elapsed time for k point: 0.2820436954498291 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8068179225889665 (1.29517% change) linmin: converged after 3 iterations. iteration 2: trace = 0.804832588193017 (0.246373% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8042872136604009 (0.0677854% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8036249724599602 (0.0823728% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8032567356252627 (0.0458325% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8029920196650826 (0.0329608% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8028887415049023 (0.0128625% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028182815775591 (0.00877619% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8027780187785131 (0.00501531% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8027521710407273 (0.00321984% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8027359476526511 (0.00202099% change) linmin: converged after 4 iterations. iteration 12: trace = 0.802727982914457 (0.000992204% change) linmin: converged after 3 iterations. iteration 13: trace = 0.802723880114383 (0.000511108% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8027211420985967 (0.000341091% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8027191516384169 (0.000247964% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027176224959517 (0.000190496% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8027166889701804 (0.000116296% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8027162103596907 (5.96239e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027159091591477 (3.75227e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8027158068781748 (1.27419e-05% change) linmin: converged after 10 iterations. iteration 21: trace = 0.8027157420448225 (8.07675e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 0.802715709343627 (4.07382e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8027156963901343 (1.61371e-06% change) linmin: converged after 25 iterations. iteration 24: trace = 0.8027156897719367 (8.24476e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8027156870140796 (3.43566e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8027156854301956 (1.97316e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027156847538376 (8.42587e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8027156842766868 (5.94421e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8027156840251561 (3.1335e-08% change) linmin: converged after 31 iterations. iteration 30: trace = 0.8027156839051044 (1.49557e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8027156838537041 (6.4033e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8027156838186872 (4.3623e-09% change) linmin: converged after 13 iterations. iteration 33: trace = 0.8027156837999538 (2.33375e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027156837942571 (7.09688e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8027156837904597 (4.7307e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8027156837880036 (3.05966e-10% change) linmin: converged after 7 iterations. iteration 37: trace = 0.8027156837870213 (1.22375e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8027156837865843 (5.44382e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 elapsed time for k point: 0.29761409759521484 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8155294376424663 (1.37094% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8138776522734583 (0.202747% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8133742935541981 (0.0618661% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8126556331426072 (0.0883945% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8121871670633984 (0.0576629% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8117923023583824 (0.0486293% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8116108115438246 (0.0223593% change) linmin: converged after 6 iterations. iteration 8: trace = 0.8114739977375731 (0.0168585% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8113791011440841 (0.011695% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8113085750803738 (0.0086925% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8112504355246271 (0.0071664% change) linmin: converged after 4 iterations. iteration 12: trace = 0.811211066717463 (0.00485297% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8111826254010386 (0.00350609% change) linmin: converged after 5 iterations. iteration 14: trace = 0.8111593523668564 (0.00286907% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8111444357100662 (0.00183895% change) linmin: converged after 4 iterations. iteration 16: trace = 0.811135444413941 (0.00110848% change) linmin: converged after 5 iterations. iteration 17: trace = 0.8111316026057794 (0.000473634% change) linmin: converged after 3 iterations. iteration 18: trace = 0.811130187145684 (0.000174505% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8111293526274589 (0.000102883% change) linmin: converged after 5 iterations. iteration 20: trace = 0.8111290114631691 (4.20604e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8111287652725712 (3.03516e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8111286057812008 (1.96629e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8111285234429321 (1.01511e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8111284687546958 (6.74224e-06% change) linmin: converged after 12 iterations. iteration 25: trace = 0.8111284433478234 (3.13229e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8111284222032065 (2.60681e-06% change) linmin: converged after 7 iterations. iteration 27: trace = 0.8111284113560745 (1.33729e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8111284028317195 (1.05093e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8111283987915656 (4.98091e-07% change) linmin: converged after 9 iterations. iteration 30: trace = 0.8111283967889734 (2.4689e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8111283955216915 (1.56237e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8111283948185323 (8.6689e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8111283945321676 (3.53045e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8111283944066422 (1.54754e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8111283943165297 (1.11095e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8111283942752676 (5.087e-09% change) linmin: converged after 19 iterations. iteration 37: trace = 0.8111283942632421 (1.48256e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8111283942557568 (9.22831e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8111283942508334 (6.06981e-10% change) linmin: converged after 9 iterations. iteration 40: trace = 0.8111283942481876 (3.26184e-10% change) linmin: converged after 16 iterations. iteration 41: trace = 0.81112839424681 (1.69833e-10% change) linmin: converged after 6 iterations. iteration 42: trace = 0.811128394246043 (9.45662e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 elapsed time for k point: 0.3270699977874756 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8290563269388784 (1.5156% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8273550264785751 (0.20542% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8266224782205577 (0.0885802% change) large trace change predicted (0.193434%) linmin: converged after 4 iterations. iteration 4: trace = 0.8250101629050859 (0.195239% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8239463222377366 (0.129032% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8228610425306505 (0.131804% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8221978507147034 (0.0806283% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8216235802290914 (0.0698702% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8211054695681614 (0.0630793% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8206083191293649 (0.0605648% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8201236287664798 (0.0590822% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8197787982981481 (0.042055% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8195406353236169 (0.0290563% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8193469211861539 (0.0236397% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8192379771359951 (0.0132973% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8191817953726388 (0.00685804% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8191490570081135 (0.00399655% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8191307360021227 (0.00223662% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8191110855888374 (0.00239896% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8190994002107381 (0.0014266% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8190864754428578 (0.00157794% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8190800027292462 (0.000790239% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8190771103947635 (0.000353121% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8190748139325353 (0.000280372% change) linmin: converged after 5 iterations. iteration 25: trace = 0.8190737905148722 (0.000124948% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8190729885719623 (9.79086e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 0.8190726416048181 (4.2361e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8190724446469992 (2.40464e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8190723634326225 (9.91541e-06% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8190723223059518 (5.02113e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 0.819072293636266 (3.50026e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8190722799506965 (1.67086e-06% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8190722717209697 (1.00476e-06% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8190722641678607 (9.22154e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8190722569175918 (8.85181e-07% change) linmin: converged after 20 iterations. iteration 36: trace = 0.819072252398658 (5.51714e-07% change) linmin: converged after 18 iterations. iteration 37: trace = 0.8190722470126064 (6.5758e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8190722404773362 (7.97887e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8190722358112694 (5.69677e-07% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8190722327134291 (3.78213e-07% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8190722304560935 (2.75597e-07% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8190722291582522 (1.58453e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 0.8190722281638675 (1.21404e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8190722275599085 (7.3737e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 0.8190722273229317 (2.89323e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8190722271693935 (1.87454e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 0.8190722271071573 (7.59838e-09% change) linmin: converged after 10 iterations. iteration 48: trace = 0.8190722270707893 (4.44015e-09% change) linmin: converged after 14 iterations. iteration 49: trace = 0.8190722270585126 (1.49886e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 0.8190722270528337 (6.93333e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 0.8190722270495949 (3.95416e-10% change) linmin: converged after 2 iterations. iteration 52: trace = 0.8190722270481852 (1.72117e-10% change) linmin: converged after 2 iterations. iteration 53: trace = 0.8190722270474002 (9.58313e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 elapsed time for k point: 0.4076073169708252 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8318723245698361 (3.13082% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8276838458231727 (0.504771% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8250719751639439 (0.316062% change) large trace change predicted (0.829962%) linmin: converged after 5 iterations. iteration 4: trace = 0.8181500821756009 (0.842478% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8146308841822318 (0.431068% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8121449348964213 (0.305629% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8110067055704764 (0.140249% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8102662668394681 (0.0913404% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8097637147394906 (0.0620423% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8094608758573285 (0.0374054% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8092619572238918 (0.0245772% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8091489869963024 (0.0139606% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8090914838523688 (0.00710687% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8090524495611096 (0.00482458% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8090299048314704 (0.0027866% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8090196961708989 (0.00126185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8090149532580024 (0.000586256% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8090133783585416 (0.000194669% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8090122091828419 (0.000144519% change) linmin: converged after 3 iterations. iteration 20: trace = 0.809011746549078 (5.7185e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 0.8090114311733304 (3.89828e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8090112622133518 (2.08847e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8090112032213227 (7.29187e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8090111645767121 (4.77677e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8090111496273182 (1.84786e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8090111376871478 (1.4759e-06% change) linmin: converged after 10 iterations. iteration 27: trace = 0.8090111299481263 (9.56603e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8090111234591612 (8.02086e-07% change) linmin: converged after 17 iterations. iteration 29: trace = 0.8090111190077983 (5.50223e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8090111160067402 (3.70954e-07% change) linmin: converged after 11 iterations. iteration 31: trace = 0.8090111140715618 (2.39203e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.809011112840562 (1.52161e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8090111123538603 (6.01601e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8090111120761603 (3.43259e-08% change) linmin: converged after 25 iterations. iteration 35: trace = 0.809011111827572 (3.07274e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8090111117288276 (1.22056e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8090111116923977 (4.50301e-09% change) linmin: converged after 5 iterations. iteration 38: trace = 0.8090111116668663 (3.15587e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8090111116513794 (1.91431e-09% change) linmin: converged after 6 iterations. iteration 40: trace = 0.8090111116440928 (9.00682e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8090111116401751 (4.84251e-10% change) linmin: converged after 8 iterations. iteration 42: trace = 0.8090111116384469 (2.13629e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8090111116376205 (1.02142e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8090111116370096 (7.55188e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 elapsed time for k point: 0.33460021018981934 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8171851170997577 (2.82615% change) linmin: converged after 4 iterations. iteration 2: trace = 0.813918027365284 (0.400599% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8130234308008992 (0.109973% change) linmin: converged after 4 iterations. iteration 4: trace = 0.811581624060812 (0.177496% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8108367043900603 (0.0918283% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8104212308344327 (0.0512532% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8102651075147203 (0.0192663% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8101854245831392 (0.00983466% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8101424830515994 (0.00530035% change) linmin: converged after 3 iterations. iteration 10: trace = 0.810120944553498 (0.00265864% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8101107143717293 (0.0012628% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8101053670865769 (0.000660071% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8101033097483941 (0.00025396% change) linmin: converged after 2 iterations. iteration 14: trace = 0.8101024191779366 (0.000109933% change) linmin: converged after 2 iterations. iteration 15: trace = 0.8101019341435778 (5.98732e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8101016896360236 (3.01823e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8101015590582973 (1.61187e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8101015104593604 (5.99912e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101014866005619 (2.94516e-06% change) linmin: converged after 8 iterations. iteration 20: trace = 0.8101014766732865 (1.22544e-06% change) linmin: converged after 24 iterations. iteration 21: trace = 0.8101014719162717 (5.87212e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101014694525338 (3.04127e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8101014680412485 (1.74211e-07% change) linmin: converged after 8 iterations. iteration 24: trace = 0.8101014671897425 (1.05111e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8101014666458735 (6.71359e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 0.810101466366896 (3.44374e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8101014662654042 (1.25283e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8101014662094285 (6.90972e-09% change) linmin: converged after 5 iterations. iteration 29: trace = 0.8101014661850829 (3.00524e-09% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8101014661721252 (1.59952e-09% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8101014661683199 (4.6973e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8101014661663739 (2.40217e-10% change) linmin: converged after 6 iterations. iteration 33: trace = 0.8101014661650519 (1.63196e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8101014661646312 (5.19273e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 elapsed time for k point: 0.26035475730895996 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8384802898748622 (2.88371% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8342584911066918 (0.504777% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8324378232300615 (0.218476% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8292138799100831 (0.388041% change) linmin: converged after 4 iterations. iteration 5: trace = 0.827322253232385 (0.228383% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8262867608253194 (0.12524% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8257462495266317 (0.0654359% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8254198265357116 (0.0395385% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8251898663616859 (0.0278637% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8250606384828725 (0.0156616% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8249885908464112 (0.00873279% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8249476216823384 (0.00496615% change) linmin: converged after 4 iterations. iteration 13: trace = 0.824928537065068 (0.00231346% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8249170794087202 (0.00138894% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8249097450566565 (0.000889106% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8249057647163063 (0.000482519% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8249036821750686 (0.000252458% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8249026994258288 (0.000119135% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8249021282724944 (6.92389e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8249018605074976 (3.24602e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8249016803447531 (2.18405e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8249015845869494 (1.16084e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8249015344706885 (6.07542e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8249015089280831 (3.09644e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8249014948902105 (1.70176e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8249014886144899 (7.60784e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.82490148538737 (3.91213e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8249014836509996 (2.10494e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8249014827636327 (1.07572e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.824901482377576 (4.68003e-08% change) linmin: converged after 26 iterations. iteration 31: trace = 0.8249014822007916 (2.1431e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8249014820905052 (1.33697e-08% change) linmin: converged after 6 iterations. iteration 33: trace = 0.8249014820217433 (8.33577e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8249014819930203 (3.48199e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8249014819693666 (2.86745e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.824901481953957 (1.86806e-09% change) linmin: converged after 22 iterations. iteration 37: trace = 0.8249014819460342 (9.60451e-10% change) linmin: converged after 16 iterations. iteration 38: trace = 0.8249014819420621 (4.81517e-10% change) linmin: converged after 13 iterations. iteration 39: trace = 0.8249014819395273 (3.07293e-10% change) linmin: converged after 18 iterations. iteration 40: trace = 0.8249014819380525 (1.78787e-10% change) linmin: converged after 16 iterations. iteration 41: trace = 0.8249014819373073 (9.03358e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 elapsed time for k point: 0.32030153274536133 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8480483504579561 (3.58198% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8430089126034128 (0.59601% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8384490944510825 (0.542365% change) linmin: converged after 6 iterations. iteration 4: trace = 0.833504242190635 (0.591506% change) linmin: converged after 6 iterations. iteration 5: trace = 0.8312006937664944 (0.276752% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8303345713220793 (0.104256% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8298720782409875 (0.0557151% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8296438183420806 (0.0275092% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8295035920716755 (0.0169034% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8294292605779823 (0.00896136% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8293938184228468 (0.00427317% change) linmin: converged after 3 iterations. iteration 12: trace = 0.829375645803089 (0.0021911% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8293681148786946 (0.000908027% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8293644321962761 (0.000444036% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8293622462035651 (0.000263575% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8293611088425483 (0.000137137% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8293605063723064 (7.26427e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8293602062722002 (3.61845e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8293600606222393 (1.75617e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8293599788560098 (9.85895e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8293599294100369 (5.96194e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8293598981795791 (3.76561e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 0.829359881782837 (1.97704e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8293598714059198 (1.2512e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8293598655872598 (7.01584e-07% change) linmin: converged after 12 iterations. iteration 26: trace = 0.8293598628133533 (3.34464e-07% change) linmin: converged after 21 iterations. iteration 27: trace = 0.8293598612781719 (1.85104e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8293598604061101 (1.05149e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8293598600266698 (4.5751e-08% change) linmin: converged after 22 iterations. iteration 30: trace = 0.8293598598808711 (1.75797e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.829359859814782 (7.96869e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8293598597813747 (4.02808e-09% change) linmin: converged after 11 iterations. iteration 33: trace = 0.8293598597669902 (1.73441e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8293598597619849 (6.03517e-10% change) linmin: converged after 16 iterations. iteration 35: trace = 0.8293598597589518 (3.65719e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 0.829359859757155 (2.16647e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8293598597560852 (1.28992e-10% change) linmin: converged after 20 iterations. iteration 38: trace = 0.8293598597555056 (6.98776e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 elapsed time for k point: 0.2938551902770996 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8480940244309446 (1.69227% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8419235022329321 (0.730232% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8394087479197274 (0.299138% change) linmin: converged after 4 iterations. iteration 4: trace = 0.836466267239855 (0.351158% change) linmin: converged after 4 iterations. iteration 5: trace = 0.834672354538319 (0.214693% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8334606568479985 (0.145276% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8328462065781603 (0.07375% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8325101793123081 (0.040355% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8322457691396173 (0.0317656% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8321412516982053 (0.0125593% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8320852115237597 (0.00673468% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8320477512855995 (0.00450207% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8320325851853662 (0.00182276% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8320268694258969 (0.000686966% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8320236470047006 (0.000387298% change) linmin: converged after 4 iterations. iteration 16: trace = 0.832022038583722 (0.000193315% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8320210664606004 (0.000116839% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8320206058344797 (5.53623e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8320203906623702 (2.58614e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8320202605730955 (1.56353e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8320201840423708 (9.19818e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.83202013794228 (5.54074e-06% change) linmin: converged after 7 iterations. iteration 23: trace = 0.8320200998172953 (4.58222e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8320200739733764 (3.10617e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8320200654921726 (1.01935e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8320200619872656 (4.21253e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8320200597339977 (2.70819e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.832020058365486 (1.64481e-07% change) linmin: converged after 19 iterations. iteration 29: trace = 0.8320200576761879 (8.28463e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8320200574763272 (2.40211e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8320200573161726 (1.92489e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320200572338544 (9.89377e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.832020057197676 (4.34826e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8320200571735461 (2.90016e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8320200571592896 (1.71348e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8320200571525682 (8.07841e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200571484559 (4.94251e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8320200571461505 (2.77095e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 0.8320200571449834 (1.40269e-10% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200571443123 (8.06627e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 ..elapsed time for k point: 0.20748281478881836 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024688 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.23061915826414672 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.21696776954474586 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855384 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.3008564830839497 at Vector3<0.5, 0.0, 0.0> to 0.3651152537651722 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.30714983400393553 at Vector3<0.5, 0.5, 0.0> to 0.38531636177147244 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259549 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.34953853766123844 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230428 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011085 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.477306572259159 at Vector3<0.5, 0.5, 0.0> total elapsed time for run: 4.942685127258301 done /tmp/meepuUBjUW/test_anisotropic_2d_gap-0: 4.94s /tmp/meepuUBjUW/test_attribute_accessors-0 ======================== /tmp/meepuUBjUW/test_attribute_accessors-0: 0.00s /tmp/meepuUBjUW/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 1e+20, height 0.25, axis (1, 0, 0) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.00019121170043945312 solve_kpoint (0.5,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 1 to 8... near maximum in trace linmin: converged after 20 iterations. iteration 1: trace = 27.80144625027669 (180.5% change) linmin: converged after 8 iterations. iteration 2: trace = 19.82418800010011 (33.4999% change) linmin: converged after 7 iterations. iteration 3: trace = 18.80241114661619 (5.29053% change) linmin: converged after 5 iterations. iteration 4: trace = 18.64391851982911 (0.846506% change) linmin: converged after 8 iterations. iteration 5: trace = 18.63017324216899 (0.0737524% change) linmin: converged after 5 iterations. iteration 6: trace = 18.62916003541502 (0.00543867% change) linmin: converged after 4 iterations. iteration 7: trace = 18.62909545680369 (0.000346654% change) linmin: converged after 4 iterations. iteration 8: trace = 18.62908848466774 (3.74261e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 18.62908777894175 (3.7883e-06% change) linmin: converged after 16 iterations. switching to approximate line minimization (decrease time by 63.2911%) iteration 10: trace = 18.6290877002945 (4.22174e-07% change) iteration 11: trace = 18.62908769515245 (2.76022e-08% change) iteration 12: trace = 18.6290876948879 (1.42013e-09% change) iteration 13: trace = 18.62908769487537 (6.72627e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 elapsed time for k point: 0.009937047958374023 total elapsed time for run: 0.010217905044555664 done Fixing h-field (band 8) phase by 0.909537 + -0.415623i; max ampl. = 1.96664 .Outputting fields to /tmp/meepuUBjUW/test_bragg-0-h.k01.b08.y.tm.h5... /tmp/meepuUBjUW/test_bragg-0: 0.03s /tmp/meepuUBjUW/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 11 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.05, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.15000000000000002, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.25, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.35000000000000003, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.45, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.003110647201538086 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 19 iterations. iteration 1: trace = 17.30275056401984 (175.314% change) linmin: converged after 8 iterations. iteration 2: trace = 11.9760373863671 (36.3862% change) linmin: converged after 6 iterations. iteration 3: trace = 11.17691626013078 (6.90297% change) linmin: converged after 5 iterations. iteration 4: trace = 11.08896486917231 (0.79001% change) linmin: converged after 6 iterations. iteration 5: trace = 11.08297661618686 (0.0540165% change) linmin: converged after 8 iterations. iteration 6: trace = 11.08249596622674 (0.00433692% change) linmin: converged after 5 iterations. iteration 7: trace = 11.08219937792676 (0.00267622% change) large trace change predicted (0.0167811%) linmin: converged after 6 iterations. iteration 8: trace = 11.08038974001353 (0.0163306% change) large trace change predicted (0.0812502%) linmin: converged after 8 iterations. iteration 9: trace = 11.07305304217878 (0.0662353% change) linmin: converged after 5 iterations. iteration 10: trace = 11.07180721242442 (0.0112516% change) linmin: converged after 7 iterations. iteration 11: trace = 11.07168890779527 (0.00106853% change) linmin: converged after 6 iterations. iteration 12: trace = 11.07167968197878 (8.3328e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 11.07167908240041 (5.41542e-06% change) linmin: converged after 10 iterations. switching to approximate line minimization (decrease time by 52.9412%) iteration 14: trace = 11.07167889420393 (1.6998e-06% change) iteration 15: trace = 11.0716779976237 (8.09796e-06% change) iteration 16: trace = 11.07167518719081 (2.5384e-05% change) iteration 17: trace = 11.07167456093305 (5.6564e-06% change) iteration 18: trace = 11.07167451845902 (3.83628e-07% change) iteration 19: trace = 11.0716745146709 (3.42145e-08% change) iteration 20: trace = 11.07167451443016 (2.17438e-09% change) iteration 21: trace = 11.0716745143937 (3.29274e-10% change) iteration 22: trace = 11.07167451429858 (8.59181e-10% change) iteration 23: trace = 11.07167451395079 (3.14127e-09% change) iteration 24: trace = 11.07167451360991 (3.07881e-09% change) iteration 25: trace = 11.07167451351465 (8.60384e-10% change) iteration 26: trace = 11.07167451350871 (5.36837e-11% change) Finished solving for bands 2 to 8 after 26 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991 elapsed time for k point: 0.010664224624633789 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 11.04205589335819 (0.320414% change) linmin: converged after 11 iterations. switching to approximate line minimization (decrease time by 56.2963%) iteration 2: trace = 11.02779351867074 (0.129248% change) iteration 3: trace = 11.02770475042544 (0.000804953% change) switching back to exact line minimization large trace change predicted (0.0932951%) linmin: converged after 10 iterations. iteration 4: trace = 11.01806746706182 (0.0874298% change) linmin: converged after 6 iterations. iteration 5: trace = 11.01664404674312 (0.0129198% change) linmin: converged after 7 iterations. iteration 6: trace = 11.01540354927172 (0.0112608% change) linmin: converged after 8 iterations. iteration 7: trace = 11.01433928375019 (0.00966208% change) linmin: converged after 7 iterations. iteration 8: trace = 11.01352665863151 (0.00737816% change) linmin: converged after 6 iterations. iteration 9: trace = 11.01297368604901 (0.00502098% change) linmin: converged after 6 iterations. iteration 10: trace = 11.01260367498397 (0.00335983% change) linmin: converged after 7 iterations. iteration 11: trace = 11.01234600828291 (0.00233977% change) linmin: converged after 7 iterations. iteration 12: trace = 11.01215736521394 (0.00171303% change) linmin: converged after 5 iterations. iteration 13: trace = 11.01201270994144 (0.0013136% change) linmin: converged after 5 iterations. iteration 14: trace = 11.01189720798149 (0.00104888% change) linmin: converged after 6 iterations. iteration 15: trace = 11.01180164458289 (0.000867823% change) linmin: converged after 6 iterations. iteration 16: trace = 11.01172002227122 (0.000741229% change) linmin: converged after 5 iterations. iteration 17: trace = 11.01164825313236 (0.000651754% change) linmin: converged after 5 iterations. iteration 18: trace = 11.01158341982805 (0.000588772% change) linmin: converged after 5 iterations. iteration 19: trace = 11.01152333759738 (0.000545629% change) linmin: converged after 5 iterations. iteration 20: trace = 11.01146628263761 (0.00051814% change) linmin: converged after 5 iterations. iteration 21: trace = 11.01141081766347 (0.000503703% change) linmin: converged after 5 iterations. iteration 22: trace = 11.01135567480688 (0.00050078% change) linmin: converged after 5 iterations. iteration 23: trace = 11.01129967373822 (0.000508577% change) linmin: converged after 5 iterations. iteration 24: trace = 11.01124166425714 (0.000526819% change) linmin: converged after 7 iterations. iteration 25: trace = 11.01118048582044 (0.000555601% change) linmin: converged after 5 iterations. iteration 26: trace = 11.01111494136685 (0.000595255% change) linmin: converged after 5 iterations. iteration 27: trace = 11.01104378715495 (0.000646206% change) linmin: converged after 5 iterations. iteration 28: trace = 11.01096573549305 (0.000708851% change) linmin: converged after 5 iterations. iteration 29: trace = 11.01087947554889 (0.000783403% change) linmin: converged after 6 iterations. iteration 30: trace = 11.01078370865238 (0.000869752% change) linmin: converged after 6 iterations. iteration 31: trace = 11.01067719511959 (0.000967361% change) linmin: converged after 7 iterations. iteration 32: trace = 11.0105588184778 (0.00107511% change) linmin: converged after 6 iterations. iteration 33: trace = 11.01042763386273 (0.00119145% change) linmin: converged after 5 iterations. iteration 34: trace = 11.0102829332154 (0.00131422% change) linmin: converged after 7 iterations. iteration 35: trace = 11.01012428690288 (0.0014409% change) linmin: converged after 7 iterations. iteration 36: trace = 11.00995166081934 (0.0015679% change) linmin: converged after 6 iterations. iteration 37: trace = 11.00976540309208 (0.00169174% change) linmin: converged after 7 iterations. iteration 38: trace = 11.0095663406236 (0.00180807% change) linmin: converged after 5 iterations. iteration 39: trace = 11.00935597949786 (0.00191073% change) linmin: converged after 6 iterations. iteration 40: trace = 11.00913645340698 (0.00199402% change) linmin: converged after 5 iterations. iteration 41: trace = 11.00891053152842 (0.00205215% change) linmin: converged after 8 iterations. iteration 42: trace = 11.00868145429236 (0.00208086% change) linmin: converged after 6 iterations. iteration 43: trace = 11.00845263388484 (0.00207857% change) linmin: converged after 5 iterations. iteration 44: trace = 11.00822723038049 (0.00204757% change) linmin: converged after 8 iterations. iteration 45: trace = 11.00800786328904 (0.00199278% change) linmin: converged after 6 iterations. iteration 46: trace = 11.00779643783161 (0.00192067% change) linmin: converged after 5 iterations. iteration 47: trace = 11.00759390248773 (0.00183994% change) linmin: converged after 6 iterations. iteration 48: trace = 11.00740071738865 (0.00175503% change) linmin: converged after 5 iterations. iteration 49: trace = 11.00721679634582 (0.0016709% change) linmin: converged after 7 iterations. iteration 50: trace = 11.00704174241288 (0.00159037% change) linmin: converged after 6 iterations. iteration 51: trace = 11.00687501456139 (0.00151475% change) linmin: converged after 5 iterations. iteration 52: trace = 11.00671594221069 (0.00144522% change) linmin: converged after 5 iterations. iteration 53: trace = 11.0065639269633 (0.00138112% change) linmin: converged after 6 iterations. iteration 54: trace = 11.00641839206615 (0.00132226% change) linmin: converged after 6 iterations. iteration 55: trace = 11.00627882365528 (0.00126807% change) linmin: converged after 6 iterations. iteration 56: trace = 11.00614477805909 (0.00121791% change) linmin: converged after 5 iterations. iteration 57: trace = 11.00601589002765 (0.00117106% change) linmin: converged after 6 iterations. iteration 58: trace = 11.00589182996989 (0.00112721% change) linmin: converged after 5 iterations. iteration 59: trace = 11.00577235804738 (0.00108553% change) linmin: converged after 6 iterations. iteration 60: trace = 11.00565724990092 (0.00104589% change) linmin: converged after 5 iterations. iteration 61: trace = 11.0055463444867 (0.00100772% change) linmin: converged after 5 iterations. iteration 62: trace = 11.00543948448586 (0.00097097% change) linmin: converged after 5 iterations. iteration 63: trace = 11.00533654887428 (0.00093532% change) linmin: converged after 6 iterations. iteration 64: trace = 11.00523742354759 (0.000900706% change) linmin: converged after 5 iterations. iteration 65: trace = 11.00514200366712 (0.000867044% change) linmin: converged after 5 iterations. iteration 66: trace = 11.00505018069374 (0.000834368% change) linmin: converged after 5 iterations. iteration 67: trace = 11.00496184504172 (0.000802686% change) linmin: converged after 7 iterations. iteration 68: trace = 11.00487689134744 (0.000771961% change) linmin: converged after 5 iterations. iteration 69: trace = 11.00479520018456 (0.000742321% change) resetting CG direction... large trace change predicted (0.115539%) linmin: converged after 7 iterations. iteration 70: trace = 10.99202103429551 (0.116146% change) linmin: converged after 6 iterations. iteration 71: trace = 10.99062236117629 (0.0127252% change) linmin: converged after 8 iterations. iteration 72: trace = 10.98948431511006 (0.0103552% change) linmin: converged after 6 iterations. iteration 73: trace = 10.98818648561436 (0.0118104% change) linmin: converged after 5 iterations. iteration 74: trace = 10.98802559188107 (0.00146425% change) linmin: converged after 4 iterations. iteration 75: trace = 10.98801515639975 (9.49714e-05% change) linmin: converged after 5 iterations. iteration 76: trace = 10.98801412705257 (9.36791e-06% change) linmin: converged after 5 iterations. iteration 77: trace = 10.9880140963765 (2.79178e-07% change) linmin: converged after 4 iterations. iteration 78: trace = 10.98801409322136 (2.87144e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 10.98801409310473 (1.06138e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 10.98801409303983 (5.90652e-10% change) linmin: converged after 4 iterations. iteration 81: trace = 10.98801409311148 (6.5202e-10% change) linmin: converged after 3 iterations. iteration 82: trace = 10.98801409299052 (1.1008e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 10.98801409304876 (5.29996e-10% change) linmin: converged after 4 iterations. iteration 84: trace = 10.98801409304146 (6.64274e-11% change) Finished solving for bands 1 to 8 after 84 iterations. tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778 elapsed time for k point: 0.026808738708496094 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 10.90376046824373 (0.00793522% change) linmin: converged after 4 iterations. iteration 2: trace = 10.90359830907354 (0.0014872% change) linmin: converged after 3 iterations. iteration 3: trace = 10.90350960463483 (0.000813537% change) linmin: converged after 7 iterations. iteration 4: trace = 10.90345230354924 (0.00052553% change) linmin: converged after 4 iterations. iteration 5: trace = 10.90344655289567 (5.27416e-05% change) linmin: converged after 5 iterations. iteration 6: trace = 10.90344608445378 (4.29627e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.90344604871542 (3.27771e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.9034460473527 (1.24981e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 10.9034460473056 (4.31926e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 10.90344604730442 (1.08829e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 elapsed time for k point: 0.0012574195861816406 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.82874318743302 (0.00713648% change) linmin: converged after 3 iterations. iteration 2: trace = 10.82865179048751 (0.000844025% change) linmin: converged after 4 iterations. iteration 3: trace = 10.8286391456429 (0.000116772% change) linmin: converged after 5 iterations. iteration 4: trace = 10.82863201430636 (6.58563e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.82863047384795 (1.42258e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 10.82863033630219 (1.2702e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11044e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.82863032376797 (4.70661e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.8286303237533 (1.35499e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 10.82863032375297 (3.01838e-12% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 elapsed time for k point: 0.0012483596801757812 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.76383414066022 (0.00702665% change) linmin: converged after 4 iterations. iteration 2: trace = 10.76375283235569 (0.000755387% change) linmin: converged after 4 iterations. iteration 3: trace = 10.76374658323256 (5.80571e-05% change) linmin: converged after 5 iterations. iteration 4: trace = 10.76374528581931 (1.20535e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.76374486740369 (3.88727e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 10.76374482182858 (4.23413e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.76374481723281 (4.26968e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.76374481699878 (2.17426e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.76374481699274 (5.60942e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 5, 0.2, 0, 0, 0.2, 0.0934195, 0.40505, 0.612091, 0.907101, 1.10696, 1.40468, 1.6041, 1.90311 elapsed time for k point: 0.005300760269165039 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.70890918978214 (0.00701169% change) linmin: converged after 4 iterations. iteration 2: trace = 10.70883098425239 (0.000730287% change) linmin: converged after 5 iterations. iteration 3: trace = 10.70882611989432 (4.54238e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.70882574797966 (3.47297e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.70882564389908 (9.71914e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.70882562792913 (1.54008e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.70882562781417 (1.07346e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.70882562781128 (2.70049e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 elapsed time for k point: 0.0011038780212402344 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.66396644581557 (0.00701938% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6638895643872 (0.000720948% change) linmin: converged after 6 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.66388497807411 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762052 (3.59533e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 10.66388494718304 (4.10246e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 10.66388494713199 (4.78709e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.66388494713049 (1.40424e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533 elapsed time for k point: 0.0011119842529296875 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.62900860023464 (0.00703179% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6289323953069 (0.000716955% change) linmin: converged after 5 iterations. iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.62892805633392 (1.18399e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71056e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.62892804604186 (9.72507e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.62892804597542 (6.2508e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.62892804596423 (1.05255e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.62892804596352 (6.73513e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 elapsed time for k point: 0.001096963882446289 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) linmin: converged after 4 iterations. iteration 2: trace = 10.60396176516587 (0.000715115% change) linmin: converged after 5 iterations. iteration 3: trace = 10.6039576473093 (3.88332e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.60395754101094 (1.00244e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.60395753615697 (4.57751e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.60395753572879 (4.03789e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.60395753570917 (1.85074e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.6039575357088 (3.45088e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 elapsed time for k point: 0.009188175201416016 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58905458874505 (0.00704958% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58897895638373 (0.000714253% change) linmin: converged after 6 iterations. iteration 3: trace = 10.58897488550179 (3.84445e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58897478737543 (9.26684e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58897478401991 (3.16888e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58897478378886 (2.18198e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58897478377235 (1.55962e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.58897478377204 (2.91894e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885 elapsed time for k point: 0.0010275840759277344 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58406017889885 (0.00705116% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58398461985988 (0.000713897% change) linmin: converged after 4 iterations. iteration 3: trace = 10.58398056403726 (3.83204e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58398046806651 (9.06755e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58398046509703 (2.80564e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58398046493152 (1.56375e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58398046491724 (1.34939e-10% change) linmin: converged after 1 iterations. iteration 8: trace = 10.58398046491708 (1.51051e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 .elapsed time for k point: 0.0010013580322265625 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0> Band 2 range: 0.30640302623084414 at Vector3<0.5, 0.0, 0.0> to 0.46877485258675194 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5466257501316379 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541639 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7842615905093814 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437461 at Vector3<0.0, 0.0, 0.0> Band 5 range: 1.0240548648146843 at Vector3<0.0, 0.0, 0.0> to 1.244098004202587 at Vector3<0.5, 0.0, 0.0> Band 6 range: 1.2666566861855073 at Vector3<0.5, 0.0, 0.0> to 1.4970379696966398 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.5115800994652084 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910488 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.7581683208483643 at Vector3<0.5, 0.0, 0.0> to 1.9999072006824996 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.19477466366820304) to band 2 (0.30640302623084414), 44.54642128428603% Gap from band 2 (0.46877485258675194) to band 3 (0.5466257501316379), 15.334026262436064% Gap from band 3 (0.7316504426541639) to band 4 (0.7842615905093814), 6.941187444158442% Gap from band 4 (0.9893486155437461) to band 5 (1.0240548648146843), 3.447520540171089% Gap from band 5 (1.244098004202587) to band 6 (1.2666566861855073), 1.7969642410133866% Gap from band 6 (1.4970379696966398) to band 7 (1.5115800994652084), 0.9666982936534588% Gap from band 7 (1.7488359039910488) to band 8 (1.7581683208483643), 0.532215889060857% total elapsed time for run: 0.0635068416595459 done /tmp/meepuUBjUW/test_bragg_sine-0: 0.06s /tmp/meepuUBjUW/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013892650604248047 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3277864456176758 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9128949642181396 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.2057797908782959 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.18647527694702148 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2197716236114502 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3326561450958252 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.25623631477355957 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.211104154586792 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.18996429443359375 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.17419910430908203 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.18234753608703613 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.13775134086608887 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.16022133827209473 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.22238421440124512 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.26354193687438965 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.573432207107544 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.5591394901275635 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 ./tmp/meepuUBjUW/test_compute_field_energy-0: 4.57s /tmp/meepuUBjUW/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013644695281982422 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.32300829887390137 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9204409122467041 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.19748806953430176 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.1864769458770752 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2196359634399414 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.332561731338501 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.25604772567749023 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.21930503845214844 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.18575167655944824 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1744077205657959 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.18259263038635254 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.1344144344329834 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.16407299041748047 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.22234654426574707 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2639048099517822 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.5789370536804199 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.563988924026489 done /tmp/meepuUBjUW/test_compute_group_velocity-0: 4.57s /tmp/meepuUBjUW/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.009438276290893555 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.31976842880249023 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9213314056396484 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.19677424430847168 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.18579673767089844 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.21116352081298828 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3402671813964844 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.25617408752441406 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.21133852005004883 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.18641376495361328 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1824779510498047 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.17429089546203613 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.14185547828674316 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.16362476348876953 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.22243165969848633 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2590925693511963 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5737590789794922 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.557199239730835 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099 ./tmp/meepuUBjUW/test_compute_integrals-0: 4.56s /tmp/meepuUBjUW/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 16 x 16 x 16. Solving for 5 bands at a time. Creating Maxwell data... Mesh size is 5. Lattice vectors: (0, 0.5, 0.5) (0.5, 0, 0.5) (0.5, 0.5, 0) Cell volume = 0.25 Reciprocal lattice vectors (/ 2 pi): (-1, 1, 1) (1, -1, 1) (1, 1, -1) Geometric objects: sphere, center = (0.125,0.125,0.125) radius 0.25 sphere, center = (-0.125,-0.125,-0.125) radius 0.25 Geometric object tree has depth 4 and 35 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 31 k-points Vector3<0.0, 0.5, 0.5> Vector3<0.0, 0.525, 0.475> Vector3<0.0, 0.55, 0.45> Vector3<0.0, 0.575, 0.425> Vector3<0.0, 0.6, 0.4> Vector3<0.0, 0.625, 0.375> Vector3<0.0, 0.6, 0.3> Vector3<0.0, 0.575, 0.225> Vector3<0.0, 0.55, 0.15000000000000002> Vector3<0.0, 0.525, 0.07500000000000001> Vector3<0.0, 0.5, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.3, 0.0> Vector3<0.0, 0.19999999999999996, 0.0> Vector3<0.0, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.1> Vector3<0.0, 0.2, 0.2> Vector3<0.0, 0.30000000000000004, 0.30000000000000004> Vector3<0.0, 0.4, 0.4> Vector3<0.0, 0.5, 0.5> Vector3<0.05, 0.55, 0.5> Vector3<0.1, 0.6, 0.5> Vector3<0.15000000000000002, 0.65, 0.5> Vector3<0.2, 0.7, 0.5> Vector3<0.25, 0.75, 0.5> Vector3<0.275, 0.75, 0.475> Vector3<0.3, 0.75, 0.45> Vector3<0.325, 0.75, 0.425> Vector3<0.35, 0.75, 0.4> Vector3<0.375, 0.75, 0.375> elapsed time for initialization: 0.04881787300109863 solve_kpoint (0,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5 Solving for bands 1 to 5... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 7.793809388876734 (194.671% change) linmin: converged after 8 iterations. iteration 2: trace = 1.602644292878233 (131.777% change) linmin: converged after 5 iterations. iteration 3: trace = 1.230444137489674 (26.2752% change) linmin: converged after 7 iterations. iteration 4: trace = 1.145863323821901 (7.11868% change) linmin: converged after 7 iterations. iteration 5: trace = 1.108732460474563 (3.29379% change) linmin: converged after 5 iterations. iteration 6: trace = 1.095242895867568 (1.22411% change) linmin: converged after 5 iterations. iteration 7: trace = 1.086567900224123 (0.795211% change) linmin: converged after 5 iterations. iteration 8: trace = 1.082571254980187 (0.368501% change) linmin: converged after 5 iterations. iteration 9: trace = 1.079681031773776 (0.267335% change) linmin: converged after 5 iterations. iteration 10: trace = 1.07784196185811 (0.17048% change) linmin: converged after 5 iterations. iteration 11: trace = 1.07658971866119 (0.116248% change) linmin: converged after 5 iterations. iteration 12: trace = 1.075741300120796 (0.0788372% change) linmin: converged after 5 iterations. iteration 13: trace = 1.075332005396717 (0.0380549% change) linmin: converged after 4 iterations. iteration 14: trace = 1.075088183570877 (0.0226767% change) linmin: converged after 4 iterations. iteration 15: trace = 1.074991682595675 (0.0089765% change) linmin: converged after 4 iterations. iteration 16: trace = 1.074947859516338 (0.00407668% change) linmin: converged after 4 iterations. iteration 17: trace = 1.074928276104173 (0.00182182% change) linmin: converged after 8 iterations. iteration 18: trace = 1.074920023198566 (0.000767766% change) linmin: converged after 5 iterations. iteration 19: trace = 1.074915815055662 (0.000391485% change) linmin: converged after 5 iterations. iteration 20: trace = 1.074913897245545 (0.000178415% change) linmin: converged after 5 iterations. iteration 21: trace = 1.074912797130558 (0.000102345% change) linmin: converged after 5 iterations. iteration 22: trace = 1.074912135440156 (6.15576e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.074911682476406 (4.21396e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.074911185373714 (4.62459e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.074910350283009 (7.76893e-05% change) large trace change predicted (0.000205026%) linmin: converged after 5 iterations. iteration 26: trace = 1.074908146483132 (0.000205022% change) large trace change predicted (0.000513652%) linmin: converged after 5 iterations. iteration 27: trace = 1.07490262826197 (0.000513368% change) linmin: converged after 5 iterations. iteration 28: trace = 1.074894274699342 (0.000777149% change) linmin: converged after 5 iterations. iteration 29: trace = 1.074885559310737 (0.000810817% change) linmin: converged after 6 iterations. iteration 30: trace = 1.074878751252922 (0.000633377% change) linmin: converged after 7 iterations. iteration 31: trace = 1.074871979340896 (0.000630018% change) linmin: converged after 6 iterations. iteration 32: trace = 1.074864290595143 (0.00071532% change) linmin: converged after 4 iterations. iteration 33: trace = 1.074857335705497 (0.00064705% change) linmin: converged after 4 iterations. iteration 34: trace = 1.074852611926326 (0.000439481% change) linmin: converged after 4 iterations. iteration 35: trace = 1.074850531090792 (0.000193593% change) linmin: converged after 4 iterations. iteration 36: trace = 1.074849707707753 (7.66045e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074849401321547 (2.8505e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 1.074849273654745 (1.18776e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 1.074849202666278 (6.6045e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.074849166432867 (3.37102e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.074849150238921 (1.50662e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 1.074849143715029 (6.06959e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 1.074849140933313 (2.58801e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 1.074849139366316 (1.45788e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.074849138485003 (8.19942e-08% change) linmin: converged after 4 iterations. iteration 46: trace = 1.074849138034085 (4.19517e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.074849137805405 (2.12755e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 1.074849137683515 (1.13402e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 1.074849137606227 (7.19065e-09% change) linmin: converged after 2 iterations. iteration 50: trace = 1.074849137561233 (4.18604e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.074849137540571 (1.92229e-09% change) linmin: converged after 3 iterations. iteration 52: trace = 1.074849137533237 (6.82361e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 1.074849137531041 (2.04289e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 1.074849137530269 (7.18493e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.8916015625 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.075858895003848 (0.603183% change) linmin: converged after 5 iterations. iteration 2: trace = 1.073482649228938 (0.221114% change) linmin: converged after 4 iterations. iteration 3: trace = 1.072517250925701 (0.0899719% change) linmin: converged after 4 iterations. iteration 4: trace = 1.07226731835112 (0.0233061% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072198684379732 (0.00640103% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072184614555412 (0.00131225% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072176813446787 (0.000727593% change) linmin: converged after 6 iterations. iteration 8: trace = 1.072174588825062 (0.000207487% change) linmin: converged after 5 iterations. iteration 9: trace = 1.072173275829781 (0.000122461% change) linmin: converged after 5 iterations. iteration 10: trace = 1.072172792730832 (4.50579e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072172507137298 (2.66369e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.072172093455102 (3.85836e-05% change) linmin: converged after 13 iterations. iteration 13: trace = 1.072171277805736 (7.60745e-05% change) large trace change predicted (0.000180553%) linmin: converged after 5 iterations. iteration 14: trace = 1.072169342022187 (0.000180548% change) linmin: converged after 16 iterations. iteration 15: trace = 1.072167408079079 (0.000180377% change) linmin: converged after 6 iterations. iteration 16: trace = 1.072166456174473 (8.87832e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.072165970166683 (4.53295e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072165682214035 (2.68571e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.072165408274992 (2.55501e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 1.072165207652325 (1.87119e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 1.07216510367804 (9.6976e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 1.072165061729352 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.072165050577685 (1.04011e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.072165047945189 (2.45531e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.072165047308095 (5.94212e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.072165047160103 (1.38031e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.072165047103967 (5.2358e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.07216504707559 (2.64669e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.072165047058603 (1.58435e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 1.072165047048055 (9.83784e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 1.072165047042511 (5.17065e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 1.072165047039758 (2.56782e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 1.07216504703864 (1.04254e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 1.072165047038117 (4.88547e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 elapsed time for k point: 0.5531156063079834 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.068440466045205 (0.573523% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066480807479963 (0.183581% change) linmin: converged after 4 iterations. iteration 3: trace = 1.065774667547763 (0.0662341% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065585967274126 (0.017707% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065530753732716 (0.00518165% change) linmin: converged after 4 iterations. iteration 6: trace = 1.065516120758966 (0.00137331% change) linmin: converged after 5 iterations. iteration 7: trace = 1.065506870654358 (0.000868137% change) linmin: converged after 3 iterations. iteration 8: trace = 1.065504384713838 (0.000233311% change) linmin: converged after 18 iterations. iteration 9: trace = 1.065503073473254 (0.000123063% change) linmin: converged after 2 iterations. iteration 10: trace = 1.065502572123757 (4.70529e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 1.065502157725804 (3.88923e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.06550155124787 (5.69195e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.065500878596151 (6.31301e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.065500247906648 (5.91919e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.065499909234968 (3.17852e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.065499690826473 (2.04982e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.065499506928749 (1.72593e-05% change) linmin: converged after 20 iterations. iteration 18: trace = 1.065499383728922 (1.15626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.065499315698634 (6.38483e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.065499294220984 (2.01574e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.065499288548681 (5.32361e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.065499287022425 (1.43243e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.065499286677926 (3.23321e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.065499286595517 (7.73437e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.065499286570307 (2.36595e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.065499286559613 (1.00371e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 1.065499286551562 (7.5564e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.065499286546965 (4.31377e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.0654992865453 (1.56254e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.06549928654484 (4.31794e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 elapsed time for k point: 0.48421239852905273 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.059540504499355 (0.530657% change) linmin: converged after 4 iterations. iteration 2: trace = 1.05798354916432 (0.147054% change) linmin: converged after 4 iterations. iteration 3: trace = 1.057502090064032 (0.0455176% change) linmin: converged after 4 iterations. iteration 4: trace = 1.057358559154869 (0.0135736% change) linmin: converged after 4 iterations. iteration 5: trace = 1.057314691601922 (0.00414887% change) linmin: converged after 4 iterations. iteration 6: trace = 1.057300876214259 (0.00130666% change) linmin: converged after 5 iterations. iteration 7: trace = 1.057292723699835 (0.000771072% change) linmin: converged after 4 iterations. iteration 8: trace = 1.057291059110143 (0.000157439% change) linmin: converged after 3 iterations. iteration 9: trace = 1.057290409951241 (6.13983e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.057290221445181 (1.78292e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.057290112028999 (1.03487e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.057289958936161 (1.44797e-05% change) linmin: converged after 16 iterations. iteration 13: trace = 1.057289789269395 (1.60473e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057289654908358 (1.27081e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.05728960466552 (4.75204e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.057289590705038 (1.3204e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.057289585702304 (4.73166e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057289583780866 (1.81732e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.057289582678028 (1.04308e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.057289582066726 (5.78179e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.05728958183277 (2.21279e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.057289581749869 (7.8409e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 1.057289581718886 (2.93044e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.057289581697566 (2.01644e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057289581676837 (1.96064e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057289581662593 (1.34719e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057289581656746 (5.52964e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.057289581655314 (1.355e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.057289581654965 (3.30141e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 elapsed time for k point: 0.47698140144348145 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051100648814141 (0.506611% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049691285821747 (0.134174% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049314899107921 (0.0358633% change) linmin: converged after 4 iterations. iteration 4: trace = 1.049185433172377 (0.0123389% change) linmin: converged after 4 iterations. iteration 5: trace = 1.049147911038267 (0.00357637% change) linmin: converged after 4 iterations. iteration 6: trace = 1.049135854260348 (0.0011492% change) linmin: converged after 5 iterations. iteration 7: trace = 1.049129471311554 (0.000608402% change) linmin: converged after 3 iterations. iteration 8: trace = 1.049128247387994 (0.000116661% change) linmin: converged after 2 iterations. iteration 9: trace = 1.04912779156954 (4.34474e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.049127676630066 (1.09557e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.049127634485117 (4.01714e-06% change) linmin: converged after 26 iterations. iteration 12: trace = 1.04912759548366 (3.71751e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 1.049127554116296 (3.94303e-06% change) linmin: converged after 22 iterations. iteration 14: trace = 1.049127517065815 (3.53155e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.049127502744468 (1.36507e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.049127499460315 (3.13037e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.049127498551341 (8.66409e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 1.049127498234713 (3.01801e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 1.049127497940215 (2.80708e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 1.049127497468462 (4.49663e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.049127497017252 (4.30081e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 1.049127496798793 (2.0823e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.049127496735693 (6.01448e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 1.049127496715387 (1.93557e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.049127496707381 (7.63051e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 1.049127496704079 (3.14782e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 1.049127496702446 (1.55666e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.049127496701628 (7.79284e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 elapsed time for k point: 0.4548530578613281 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043459216722463 (0.506828% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041988342828767 (0.141061% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041637917013636 (0.0336361% change) linmin: converged after 4 iterations. iteration 4: trace = 1.04150010817998 (0.0132309% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041466538801386 (0.00322323% change) linmin: converged after 4 iterations. iteration 6: trace = 1.041456832909056 (0.000931949% change) linmin: converged after 5 iterations. iteration 7: trace = 1.04145212968613 (0.000451601% change) linmin: converged after 4 iterations. iteration 8: trace = 1.041451113409441 (9.75827e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.041450688275374 (4.08213e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.041450583335705 (1.00763e-05% change) linmin: converged after 15 iterations. iteration 11: trace = 1.04145055102366 (3.1026e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 1.041450527028424 (2.30402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 1.041450494527918 (3.1207e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 1.04145043539497 (5.67794e-06% change) linmin: converged after 7 iterations. iteration 15: trace = 1.041450384495773 (4.88734e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.041450353324324 (2.99308e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.041450318415118 (3.35198e-06% change) linmin: converged after 23 iterations. iteration 18: trace = 1.041450255970096 (5.99597e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.041450142733959 (1.08729e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 1.041450060666096 (7.88015e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.041450032793385 (2.67634e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.041450025149674 (7.33949e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.041450023239037 (1.83459e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04145002251745 (6.92867e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.041450022090024 (4.10414e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.04145002159701 (4.73392e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.041450020726602 (8.35766e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.041450019065773 (1.59473e-07% change) large trace change predicted (4.189e-07%) linmin: converged after 2 iterations. iteration 29: trace = 1.04145001470314 (4.189e-07% change) large trace change predicted (1.19651e-06%) linmin: converged after 16 iterations. iteration 30: trace = 1.041450002242192 (1.1965e-06% change) large trace change predicted (3.27802e-06%) linmin: converged after 3 iterations. iteration 31: trace = 1.04144996810502 (3.27785e-06% change) large trace change predicted (7.60992e-06%) linmin: converged after 3 iterations. iteration 32: trace = 1.041449888872006 (7.60795e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 1.041449762143182 (1.21685e-05% change) linmin: converged after 8 iterations. iteration 34: trace = 1.041449617733145 (1.38663e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 1.041449518800372 (9.49953e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 1.041449483215252 (3.41688e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 1.041449473025162 (9.78453e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 1.041449470385734 (2.53438e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 1.041449469588867 (7.65151e-08% change) linmin: converged after 20 iterations. iteration 40: trace = 1.041449469287295 (2.8957e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 1.041449469189142 (9.42459e-09% change) linmin: converged after 10 iterations. iteration 42: trace = 1.041449469160062 (2.79229e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 1.04144946915253 (7.23263e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 1.04144946915032 (2.12205e-10% change) linmin: converged after 2 iterations. iteration 45: trace = 1.041449469149446 (8.38971e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 elapsed time for k point: 0.7353124618530273 Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Outputting /tmp/meepuUBjUW/test_diamond-0-dpwr.k06.b01.h5... D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Outputting /tmp/meepuUBjUW/test_diamond-0-dpwr.k06.b02.h5... D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Outputting /tmp/meepuUBjUW/test_diamond-0-dpwr.k06.b03.h5... D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Outputting /tmp/meepuUBjUW/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 Outputting /tmp/meepuUBjUW/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.039665448918141 (2.28714% change) linmin: converged after 5 iterations. iteration 2: trace = 1.03126174447369 (0.811589% change) linmin: converged after 5 iterations. iteration 3: trace = 1.027058258259599 (0.408439% change) linmin: converged after 5 iterations. iteration 4: trace = 1.020314522193447 (0.65877% change) linmin: converged after 4 iterations. iteration 5: trace = 1.016895452943936 (0.335662% change) linmin: converged after 4 iterations. iteration 6: trace = 1.013850701572565 (0.299865% change) linmin: converged after 4 iterations. iteration 7: trace = 1.012826541833987 (0.101068% change) linmin: converged after 3 iterations. iteration 8: trace = 1.012456630988233 (0.0365293% change) linmin: converged after 3 iterations. iteration 9: trace = 1.012302653572539 (0.0152095% change) linmin: converged after 3 iterations. iteration 10: trace = 1.012263470101499 (0.0038708% change) linmin: converged after 4 iterations. iteration 11: trace = 1.012248751191856 (0.00145407% change) linmin: converged after 4 iterations. iteration 12: trace = 1.012243323298405 (0.000536223% change) linmin: converged after 6 iterations. iteration 13: trace = 1.012239242815871 (0.000403114% change) linmin: converged after 4 iterations. iteration 14: trace = 1.012234289032094 (0.00048939% change) linmin: converged after 5 iterations. iteration 15: trace = 1.012226176757293 (0.000801426% change) linmin: converged after 5 iterations. iteration 16: trace = 1.012212339553813 (0.00136702% change) linmin: converged after 7 iterations. iteration 17: trace = 1.012198494702927 (0.00136779% change) linmin: converged after 6 iterations. iteration 18: trace = 1.012188204927564 (0.00101658% change) linmin: converged after 5 iterations. iteration 19: trace = 1.012182979177564 (0.000516284% change) linmin: converged after 5 iterations. iteration 20: trace = 1.012180431891034 (0.000251663% change) linmin: converged after 4 iterations. iteration 21: trace = 1.012179050266534 (0.0001365% change) linmin: converged after 5 iterations. iteration 22: trace = 1.012178436832588 (6.06053e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.012178138308118 (2.94933e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 1.012178008609885 (1.28138e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 1.012177948013927 (5.98669e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 1.012177914414934 (3.31947e-06% change) linmin: converged after 3 iterations. iteration 27: trace = 1.012177899398552 (1.48357e-06% change) linmin: converged after 6 iterations. iteration 28: trace = 1.012177891703032 (7.60293e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.012177888011668 (3.64695e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 1.012177886482547 (1.51072e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.012177885943443 (5.32618e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.012177885797334 (1.44352e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 1.012177885757129 (3.97212e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.012177885742624 (1.43305e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 1.01217788573651 (6.04e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 1.012177885733493 (2.98062e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 1.012177885731931 (1.54285e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 1.01217788573071 (1.20677e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.012177885728822 (1.86489e-10% change) large trace change predicted (3.79806e-10%) linmin: converged after 3 iterations. iteration 40: trace = 1.012177885724983 (3.7934e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.012177885719431 (5.48542e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 1.012177885715906 (3.48233e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 1.012177885714417 (1.47068e-10% change) linmin: converged after 6 iterations. iteration 44: trace = 1.012177885713607 (8.00492e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 elapsed time for k point: 0.7115864753723145 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9915573055188105 (2.26017% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9866607516796273 (0.495047% change) linmin: converged after 4 iterations. iteration 3: trace = 0.985915134572086 (0.0755983% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9856473004079666 (0.0271697% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9855722861007572 (0.00761095% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9855592500247952 (0.0013227% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9855531508569249 (0.000618855% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9855520633527013 (0.000110345% change) linmin: converged after 6 iterations. iteration 9: trace = 0.9855516310521106 (4.38638e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9855514450622063 (1.88717e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.9855513230133151 (1.23838e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9855511986808408 (1.26155e-05% change) linmin: converged after 14 iterations. iteration 13: trace = 0.9855510508800431 (1.49968e-05% change) large trace change predicted (3.62683e-05%) linmin: converged after 4 iterations. iteration 14: trace = 0.9855506934425549 (3.62678e-05% change) large trace change predicted (0.000117862%) linmin: converged after 3 iterations. iteration 15: trace = 0.9855495321097341 (0.000117836% change) large trace change predicted (0.00166434%) linmin: converged after 7 iterations. iteration 16: trace = 0.9855348565844813 (0.00148908% change) near maximum in trace linmin: converged after 10 iterations. iteration 17: trace = 0.9854855136907122 (0.00500684% change) linmin: converged after 6 iterations. iteration 18: trace = 0.9854692412137787 (0.00165123% change) linmin: converged after 4 iterations. iteration 19: trace = 0.9854542312192751 (0.00152314% change) linmin: converged after 5 iterations. iteration 20: trace = 0.9854392662898253 (0.00151859% change) linmin: converged after 4 iterations. iteration 21: trace = 0.9854239738374098 (0.00155185% change) linmin: converged after 5 iterations. iteration 22: trace = 0.9854083703854308 (0.00158344% change) linmin: converged after 7 iterations. iteration 23: trace = 0.9853925763868612 (0.0016028% change) linmin: converged after 6 iterations. iteration 24: trace = 0.9853765755222155 (0.00162382% change) linmin: converged after 4 iterations. iteration 25: trace = 0.9853601724904575 (0.00166466% change) linmin: converged after 6 iterations. iteration 26: trace = 0.9853431529185689 (0.00172726% change) linmin: converged after 6 iterations. iteration 27: trace = 0.9853255062152675 (0.00179094% change) linmin: converged after 4 iterations. iteration 28: trace = 0.9853075669332334 (0.00182066% change) linmin: converged after 4 iterations. iteration 29: trace = 0.9852899530731823 (0.00178767% change) linmin: converged after 4 iterations. iteration 30: trace = 0.9852733064681282 (0.00168953% change) linmin: converged after 4 iterations. iteration 31: trace = 0.9852580378801779 (0.00154969% change) linmin: converged after 4 iterations. iteration 32: trace = 0.9852442584665031 (0.00139857% change) linmin: converged after 4 iterations. iteration 33: trace = 0.9852318665432616 (0.00125776% change) linmin: converged after 4 iterations. iteration 34: trace = 0.9852206658413795 (0.00113687% change) linmin: converged after 4 iterations. iteration 35: trace = 0.9852104475657839 (0.00103716% change) linmin: converged after 4 iterations. iteration 36: trace = 0.985201030587406 (0.000955839% change) linmin: converged after 4 iterations. iteration 37: trace = 0.9851922745104321 (0.000888764% change) linmin: converged after 6 iterations. iteration 38: trace = 0.985184078898952 (0.000831883% change) linmin: converged after 4 iterations. iteration 39: trace = 0.9851763765317376 (0.000781823% change) linmin: converged after 5 iterations. iteration 40: trace = 0.9851691247369359 (0.000736094% change) linmin: converged after 4 iterations. iteration 41: trace = 0.9851622968634405 (0.000693069% change) linmin: converged after 5 iterations. iteration 42: trace = 0.9851558749686684 (0.000651864% change) linmin: converged after 4 iterations. iteration 43: trace = 0.9851498442474425 (0.000612161% change) linmin: converged after 5 iterations. iteration 44: trace = 0.9851441893299313 (0.000574018% change) linmin: converged after 7 iterations. iteration 45: trace = 0.9851388922795947 (0.000537694% change) linmin: converged after 5 iterations. iteration 46: trace = 0.9851339319745713 (0.000503515% change) linmin: converged after 6 iterations. iteration 47: trace = 0.9851292842174566 (0.00047179% change) linmin: converged after 6 iterations. iteration 48: trace = 0.9851249227544374 (0.000442731% change) linmin: converged after 5 iterations. iteration 49: trace = 0.9851208201354336 (0.000416458% change) linmin: converged after 6 iterations. iteration 50: trace = 0.985116948670044 (0.000392995% change) linmin: converged after 6 iterations. iteration 51: trace = 0.9851132814158994 (0.000372267% change) linmin: converged after 4 iterations. iteration 52: trace = 0.985109792752574 (0.000354139% change) linmin: converged after 6 iterations. iteration 53: trace = 0.9851064589339564 (0.000338422% change) linmin: converged after 4 iterations. iteration 54: trace = 0.985103258433947 (0.000324889% change) linmin: converged after 5 iterations. iteration 55: trace = 0.9851001721178921 (0.000313299% change) linmin: converged after 6 iterations. iteration 56: trace = 0.9850971833422346 (0.000303399% change) linmin: converged after 6 iterations. iteration 57: trace = 0.9850942779612889 (0.000294934% change) linmin: converged after 5 iterations. iteration 58: trace = 0.9850914442739287 (0.000287657% change) linmin: converged after 6 iterations. iteration 59: trace = 0.9850886728973864 (0.000281332% change) linmin: converged after 8 iterations. iteration 60: trace = 0.9850859566438679 (0.000275737% change) linmin: converged after 3 iterations. iteration 61: trace = 0.985083290302922 (0.000270671% change) linmin: converged after 5 iterations. iteration 62: trace = 0.9850806704322035 (0.000265955% change) linmin: converged after 6 iterations. iteration 63: trace = 0.9850780951153988 (0.000261432% change) linmin: converged after 5 iterations. iteration 64: trace = 0.9850755636853383 (0.000256978% change) linmin: converged after 7 iterations. iteration 65: trace = 0.9850730764535367 (0.000252492% change) linmin: converged after 6 iterations. iteration 66: trace = 0.9850706344229587 (0.000247904% change) linmin: converged after 5 iterations. iteration 67: trace = 0.9850682390428733 (0.000243169% change) linmin: converged after 5 iterations. iteration 68: trace = 0.9850658919478763 (0.000238268% change) linmin: converged after 6 iterations. iteration 69: trace = 0.9850635947572814 (0.000233202% change) resetting CG direction... large trace change predicted (0.0412898%) linmin: converged after 4 iterations. iteration 70: trace = 0.9846563226321232 (0.0413533% change) linmin: converged after 4 iterations. iteration 71: trace = 0.9844601744110943 (0.0199225% change) linmin: converged after 4 iterations. iteration 72: trace = 0.9843700908035093 (0.00915098% change) linmin: converged after 5 iterations. iteration 73: trace = 0.9843454544632328 (0.00250278% change) linmin: converged after 5 iterations. iteration 74: trace = 0.9843309741800621 (0.00147107% change) linmin: converged after 3 iterations. iteration 75: trace = 0.9843269360335394 (0.000410244% change) linmin: converged after 3 iterations. iteration 76: trace = 0.984325925508553 (0.000102662% change) linmin: converged after 3 iterations. iteration 77: trace = 0.9843252602722731 (6.7583e-05% change) linmin: converged after 9 iterations. iteration 78: trace = 0.9843249585532741 (3.06524e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 0.984324827002671 (1.33646e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 0.9843247642174826 (6.3785e-06% change) linmin: converged after 21 iterations. iteration 81: trace = 0.9843247334142549 (3.12938e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 0.9843247239633147 (9.60145e-07% change) linmin: converged after 4 iterations. iteration 83: trace = 0.9843247200132017 (4.01302e-07% change) linmin: converged after 4 iterations. iteration 84: trace = 0.9843247177623149 (2.28673e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 0.9843247140412077 (3.78037e-07% change) large trace change predicted (8.17026e-07%) linmin: converged after 4 iterations. iteration 86: trace = 0.9843247059989855 (8.17029e-07% change) large trace change predicted (1.83753e-06%) linmin: converged after 4 iterations. iteration 87: trace = 0.9843246879119369 (1.83751e-06% change) linmin: converged after 3 iterations. iteration 88: trace = 0.9843246566951747 (3.17139e-06% change) linmin: converged after 15 iterations. iteration 89: trace = 0.9843246205606317 (3.671e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 0.9843246064917273 (1.4293e-06% change) linmin: converged after 5 iterations. iteration 91: trace = 0.9843246017421499 (4.82521e-07% change) linmin: converged after 3 iterations. iteration 92: trace = 0.9843246002813074 (1.48411e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 0.9843245999240422 (3.62955e-08% change) linmin: converged after 3 iterations. iteration 94: trace = 0.9843245998040482 (1.21905e-08% change) linmin: converged after 4 iterations. iteration 95: trace = 0.9843245997561223 (4.86891e-09% change) linmin: converged after 3 iterations. iteration 96: trace = 0.9843245997430943 (1.32355e-09% change) linmin: converged after 4 iterations. iteration 97: trace = 0.9843245997404594 (2.67685e-10% change) linmin: converged after 5 iterations. iteration 98: trace = 0.9843245997396673 (8.04646e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 elapsed time for k point: 1.5780177116394043 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9646769163082063 (2.39738% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9596027655498416 (0.527382% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9585165712859467 (0.113256% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9579432893176263 (0.0598272% change) linmin: converged after 4 iterations. iteration 5: trace = 0.957753478271237 (0.0198164% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9577044743110649 (0.00511668% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9576786087113478 (0.00270083% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9576698781006379 (0.000911647% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9576629132448566 (0.000727274% change) linmin: converged after 6 iterations. iteration 10: trace = 0.9576596029412843 (0.000345665% change) linmin: converged after 4 iterations. iteration 11: trace = 0.9576578418244525 (0.000183898% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9576568119851189 (0.000107537% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9576563729712588 (4.58425e-05% change) linmin: converged after 19 iterations. iteration 14: trace = 0.9576561629432221 (2.19315e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9576560823100085 (8.41985e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9576560023094209 (8.35379e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 0.9576558845381139 (1.22979e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.9576557606446515 (1.29372e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.9576556898706394 (7.39034e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9576556668427911 (2.40461e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9576556603473727 (6.78262e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.957655658603465 (1.82102e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9576556582296492 (3.90345e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.9576556581384016 (9.52822e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9576556581169053 (2.24467e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.9576556581121123 (5.00499e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.9576556581107218 (1.45192e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.9576556581103823 (3.54518e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 elapsed time for k point: 0.4641153812408447 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9479336872150527 (2.3896% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9430867597778365 (0.512626% change) linmin: converged after 4 iterations. iteration 3: trace = 0.941981873965237 (0.117225% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9413709083882282 (0.0648806% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9411784896544571 (0.0204424% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9411437673764198 (0.0036893% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9411282197691544 (0.001652% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9411228844482352 (0.000566909% change) linmin: converged after 7 iterations. iteration 9: trace = 0.941117722411677 (0.000548499% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9411142194231239 (0.000372216% change) linmin: converged after 6 iterations. iteration 11: trace = 0.9411125302492718 (0.000179487% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9411116700164435 (9.1406e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9411114151351252 (2.7083e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.941111312557934 (1.08996e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9411112840457978 (3.02962e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9411112731925684 (1.15324e-06% change) linmin: converged after 26 iterations. iteration 17: trace = 0.9411112675855979 (5.95782e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 0.9411112644312605 (3.35172e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9411112620729626 (2.50587e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9411112600571808 (2.14192e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9411112586302771 (1.51619e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9411112579896637 (6.80699e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.941111257817919 (1.82491e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9411112577748142 (4.58021e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.9411112577644222 (1.10423e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.941111257762292 (2.26348e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 0.9411112577617193 (6.08486e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 elapsed time for k point: 0.4449918270111084 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9431496225335785 (2.3985% change) linmin: converged after 5 iterations. iteration 2: trace = 0.9380796204968544 (0.539009% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9367721035397323 (0.13948% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9359917825716043 (0.0833336% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9357711657243539 (0.0235732% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9357390464145803 (0.00343245% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9357282065214862 (0.00115844% change) linmin: converged after 4 iterations. iteration 8: trace = 0.935726090656777 (0.00022612% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9357251462394749 (0.000100929% change) linmin: converged after 2 iterations. iteration 10: trace = 0.9357245153926679 (6.7418e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 0.935724118685711 (4.23957e-05% change) linmin: converged after 17 iterations. iteration 12: trace = 0.9357237683382605 (3.74413e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9357236170895014 (1.61638e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9357235495974339 (7.21282e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9357235309444131 (1.99343e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9357235256266005 (5.6831e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9357235236195143 (2.14496e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9357235229374928 (7.28871e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9357235227208449 (2.3153e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9357235226594707 (6.55901e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9357235226426122 (1.80166e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9357235226371357 (5.8527e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9357235226350287 (2.25171e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9357235226340201 (1.0778e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 0.9357235226332373 (8.36591e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 elapsed time for k point: 0.41402316093444824 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9531656172626821 (2.95521% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9465651869298922 (0.694881% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9460975825933921 (0.0494123% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9458503027170811 (0.0261402% change) linmin: converged after 3 iterations. iteration 5: trace = 0.9458090123516516 (0.00436552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9457956329513351 (0.00141461% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9457917144910897 (0.000414304% change) linmin: converged after 3 iterations. iteration 8: trace = 0.9457908288630771 (9.36388e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 0.9457904833985004 (3.65265e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 0.9457903738934191 (1.15782e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 0.9457903287956915 (4.76826e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 0.9457903098667371 (2.00139e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.945790300833286 (9.55122e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9457902938373184 (7.39695e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9457902889826169 (5.13296e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9457902856358911 (3.53855e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9457902842649593 (1.44951e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9457902838788874 (4.082e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9457902837821091 (1.02325e-08% change) linmin: converged after 6 iterations. iteration 20: trace = 0.9457902837614061 (2.18896e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.9457902837571451 (4.50515e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 0.9457902837561455 (1.05694e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.945790283755921 (2.37354e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 elapsed time for k point: 0.3759586811065674 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9838330564819231 (2.82864% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9767698261618407 (0.720516% change) linmin: converged after 3 iterations. iteration 3: trace = 0.975990834248063 (0.0797837% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9754521141782281 (0.0552125% change) linmin: converged after 4 iterations. iteration 5: trace = 0.975343923966862 (0.0110919% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9752879087036856 (0.00574329% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9752720379978688 (0.0016273% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9752675452795285 (0.000460664% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9752661173620061 (0.000146413% change) linmin: converged after 3 iterations. iteration 10: trace = 0.9752657982804043 (3.27174e-05% change) linmin: converged after 8 iterations. iteration 11: trace = 0.9752656737712461 (1.27667e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.975265598656986 (7.70193e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 0.9752655199382996 (8.07151e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 0.975265458605133 (6.28887e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9752654363667408 (2.28024e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 0.9752654288851366 (7.67135e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9752654270617361 (1.86965e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9752654266193436 (4.53612e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9752654264923916 (1.30172e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9752654264573508 (3.59294e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.9752654264468741 (1.07424e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9752654264434993 (3.46033e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9752654264424245 (1.10207e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9752654264419814 (4.54328e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 elapsed time for k point: 0.39958667755126953 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.031310457525339 (2.74381% change) linmin: converged after 4 iterations. iteration 2: trace = 1.023001395901209 (0.808939% change) linmin: converged after 4 iterations. iteration 3: trace = 1.020944596104372 (0.201258% change) linmin: converged after 5 iterations. iteration 4: trace = 1.019196682336968 (0.171352% change) linmin: converged after 4 iterations. iteration 5: trace = 1.018718077778314 (0.04697% change) linmin: converged after 3 iterations. iteration 6: trace = 1.018308274746612 (0.0402354% change) linmin: converged after 4 iterations. iteration 7: trace = 1.018176585208324 (0.012933% change) linmin: converged after 4 iterations. iteration 8: trace = 1.018122381585613 (0.00532374% change) linmin: converged after 3 iterations. iteration 9: trace = 1.018108141501955 (0.00139867% change) linmin: converged after 3 iterations. iteration 10: trace = 1.01810468837719 (0.000339171% change) linmin: converged after 4 iterations. iteration 11: trace = 1.018103724639192 (9.46601e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 1.018103471304881 (2.4883e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.018103337799628 (1.31131e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.018103254441739 (8.18757e-06% change) linmin: converged after 17 iterations. iteration 15: trace = 1.018103204661031 (4.88955e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 1.018103175566654 (2.8577e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.018103161363209 (1.39509e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 1.018103152357129 (8.84594e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.018103147246914 (5.01935e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.018103144530303 (2.66831e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 1.018103143433503 (1.0773e-07% change) linmin: converged after 16 iterations. iteration 22: trace = 1.018103143020116 (4.06036e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.018103142868816 (1.4861e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 1.018103142826693 (4.13738e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.018103142813693 (1.27687e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 1.018103142809127 (4.48537e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.018103142807081 (2.00889e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.018103142806048 (1.01546e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.018103142805607 (4.32485e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 elapsed time for k point: 0.47913050651550293 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. iteration 1: trace = 1.077079219748294 (2.88237% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066262027914489 (1.00938% change) linmin: converged after 7 iterations. iteration 3: trace = 1.059824264961903 (0.605598% change) linmin: converged after 5 iterations. iteration 4: trace = 1.056454446691333 (0.318466% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055117395208793 (0.12664% change) linmin: converged after 7 iterations. iteration 6: trace = 1.053973327355148 (0.108489% change) linmin: converged after 4 iterations. iteration 7: trace = 1.053442526128483 (0.0503746% change) linmin: converged after 4 iterations. iteration 8: trace = 1.053206381305628 (0.022419% change) linmin: converged after 3 iterations. iteration 9: trace = 1.053116219805339 (0.00856103% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053071769622508 (0.00422091% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053056103815011 (0.00148764% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053047222787794 (0.000843361% change) linmin: converged after 5 iterations. iteration 13: trace = 1.053042139513933 (0.000482722% change) linmin: converged after 5 iterations. iteration 14: trace = 1.053037941123147 (0.000398692% change) linmin: converged after 5 iterations. iteration 15: trace = 1.053035343143514 (0.000246713% change) linmin: converged after 5 iterations. iteration 16: trace = 1.053034079935653 (0.000119959% change) linmin: converged after 5 iterations. iteration 17: trace = 1.053033595937136 (4.59623e-05% change) linmin: converged after 7 iterations. iteration 18: trace = 1.053033362151741 (2.22011e-05% change) linmin: converged after 9 iterations. iteration 19: trace = 1.053033220622987 (1.34401e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 1.053033136180599 (8.01897e-06% change) linmin: converged after 10 iterations. iteration 21: trace = 1.053033092856761 (4.1142e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053033069955637 (2.17478e-06% change) linmin: converged after 20 iterations. iteration 23: trace = 1.053033056567452 (1.27139e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.053033050086778 (6.15429e-07% change) linmin: converged after 7 iterations. iteration 25: trace = 1.053033046929906 (2.99788e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 1.053033045492603 (1.36492e-07% change) linmin: converged after 30 iterations. iteration 27: trace = 1.053033044713362 (7.39996e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.05303304419562 (4.91668e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 1.05303304381155 (3.64727e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 1.05303304357991 (2.19975e-08% change) linmin: converged after 12 iterations. iteration 31: trace = 1.053033043469699 (1.0466e-08% change) linmin: converged after 7 iterations. iteration 32: trace = 1.053033043429301 (3.8363e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 1.0530330434156 (1.3011e-09% change) linmin: converged after 13 iterations. iteration 34: trace = 1.053033043410165 (5.16106e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.053033043407258 (2.7606e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 1.053033043404644 (2.4829e-10% change) linmin: converged after 9 iterations. iteration 37: trace = 1.053033043402348 (2.1801e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.053033043401221 (1.07055e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 1.053033043400877 (3.26625e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 elapsed time for k point: 0.6482429504394531 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.125418509190836 (26.786% change) linmin: converged after 6 iterations. iteration 2: trace = 1.086199374680966 (3.54665% change) linmin: converged after 4 iterations. iteration 3: trace = 1.077433840602779 (0.810261% change) linmin: converged after 5 iterations. iteration 4: trace = 1.070916422402577 (0.606737% change) linmin: converged after 5 iterations. iteration 5: trace = 1.067955177230516 (0.276898% change) linmin: converged after 4 iterations. iteration 6: trace = 1.066404296467224 (0.145325% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065591405105607 (0.0762564% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065169288340976 (0.0396212% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064947504768299 (0.0208236% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064821092340354 (0.011871% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064775779630051 (0.00425552% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064759862322812 (0.00149491% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064754343598675 (0.000518308% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064752586160355 (0.000165056% change) linmin: converged after 6 iterations. iteration 15: trace = 1.06475193418626 (6.12325e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.064751716375277 (2.04565e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064751641473009 (7.03472e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.064751608763356 (3.07205e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.06475159444411 (1.34484e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064751588378962 (5.6963e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064751585065904 (3.11158e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.064751582775834 (2.1508e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.064751581427304 (1.26652e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.064751580863343 (5.29664e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.064751580697916 (1.55367e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064751580656116 (3.92583e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.064751580642665 (1.2633e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.06475158063819 (4.20211e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.064751580636453 (1.63184e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 1.064751580635709 (6.98613e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 elapsed time for k point: 0.404308557510376 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 9 iterations. iteration 1: trace = 1.083139123993515 (4.15252% change) linmin: converged after 8 iterations. iteration 2: trace = 1.067759464050544 (1.43007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.058743055847533 (0.848004% change) linmin: converged after 4 iterations. iteration 4: trace = 1.055821359692891 (0.27634% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055194292753252 (0.059409% change) linmin: converged after 4 iterations. iteration 6: trace = 1.054515707102696 (0.0643298% change) linmin: converged after 4 iterations. iteration 7: trace = 1.054199358517807 (0.0300039% change) linmin: converged after 4 iterations. iteration 8: trace = 1.054015026128709 (0.0174871% change) linmin: converged after 4 iterations. iteration 9: trace = 1.053945642710522 (0.00658299% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053916462348828 (0.00276872% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053905508373106 (0.00103936% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053902318616982 (0.000302661% change) linmin: converged after 3 iterations. iteration 13: trace = 1.053901410289628 (8.61871e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.053901190385522 (2.08657e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.053901094722907 (9.077e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.053901042329603 (4.97137e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.053901016387587 (2.46152e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.053901002297739 (1.33692e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.053900994619984 (7.28508e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.053900989320632 (5.02832e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053900987123137 (2.08511e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053900986524413 (5.68102e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.053900986366484 (1.49852e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 1.053900986325053 (3.93117e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.053900986310451 (1.38559e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 1.053900986303701 (6.40492e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.053900986300592 (2.94985e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.05390098629891 (1.59575e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 1.0539009862981 (7.6817e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 elapsed time for k point: 0.5979759693145752 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065595398928579 (3.90048% change) linmin: converged after 6 iterations. iteration 2: trace = 1.05545012730131 (0.956629% change) linmin: converged after 4 iterations. iteration 3: trace = 1.052399474005146 (0.289456% change) linmin: converged after 4 iterations. iteration 4: trace = 1.05104742363618 (0.128556% change) linmin: converged after 4 iterations. iteration 5: trace = 1.050891451863719 (0.0148408% change) linmin: converged after 4 iterations. iteration 6: trace = 1.050820039910738 (0.0067956% change) linmin: converged after 4 iterations. iteration 7: trace = 1.050776389407954 (0.00415403% change) linmin: converged after 22 iterations. iteration 8: trace = 1.050735518700124 (0.00388965% change) linmin: converged after 9 iterations. iteration 9: trace = 1.050712406629498 (0.00219963% change) linmin: converged after 5 iterations. iteration 10: trace = 1.050703645182211 (0.000833861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.05070052794763 (0.000296681% change) linmin: converged after 5 iterations. iteration 12: trace = 1.050699532774888 (9.47152e-05% change) linmin: converged after 7 iterations. iteration 13: trace = 1.050699177150718 (3.38464e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.050699067583428 (1.0428e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.050699026853781 (3.87643e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.050699005022337 (2.0778e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.05069898996691 (1.4329e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.050698977063516 (1.22808e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.050698967444914 (9.15448e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.05069896036237 (6.74079e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.050698956757341 (3.43108e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.050698955164584 (1.5159e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.050698954594422 (5.42651e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.050698954368867 (2.14671e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 1.050698954208976 (1.52176e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.050698954069499 (1.32747e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.050698953980485 (8.4719e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.05069895394582 (3.29923e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.050698953935617 (9.71084e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.050698953931685 (3.74182e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.050698953929971 (1.63126e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 1.050698953929234 (7.01406e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 elapsed time for k point: 0.23152852058410645 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.088279540873554 (4.02105% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078010312383157 (0.948094% change) linmin: converged after 3 iterations. iteration 3: trace = 1.076219990626864 (0.166215% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075124540387689 (0.101839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.07488881031914 (0.0219282% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074611210358773 (0.0258293% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074337620664562 (0.0254627% change) linmin: converged after 4 iterations. iteration 8: trace = 1.07413313855772 (0.0190351% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074051063054056 (0.00764138% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074029420989965 (0.00201501% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074020142121589 (0.000863934% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074016815860834 (0.000309702% change) linmin: converged after 5 iterations. iteration 13: trace = 1.074015086574427 (0.000161011% change) linmin: converged after 6 iterations. iteration 14: trace = 1.074014221795601 (8.05183e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.074013421483326 (7.4516e-05% change) large trace change predicted (0.000149807%) linmin: converged after 5 iterations. iteration 16: trace = 1.074011812469476 (0.000149813% change) large trace change predicted (0.000490882%) linmin: converged after 10 iterations. iteration 17: trace = 1.074006542454389 (0.000490686% change) large trace change predicted (0.00906198%) linmin: converged after 6 iterations. iteration 18: trace = 1.073941701043524 (0.00603752% change) large trace change predicted (0.0314784%) linmin: converged after 12 iterations. iteration 19: trace = 1.073871054644488 (0.00657845% change) linmin: converged after 7 iterations. iteration 20: trace = 1.073836865045437 (0.00318382% change) linmin: converged after 4 iterations. iteration 21: trace = 1.073810051812881 (0.00249699% change) linmin: converged after 4 iterations. iteration 22: trace = 1.073786930252984 (0.00215325% change) linmin: converged after 5 iterations. iteration 23: trace = 1.073765951855709 (0.0019537% change) linmin: converged after 4 iterations. iteration 24: trace = 1.073746099954997 (0.00184883% change) linmin: converged after 4 iterations. iteration 25: trace = 1.07372654968384 (0.00182077% change) linmin: converged after 4 iterations. iteration 26: trace = 1.07370665270057 (0.00185309% change) linmin: converged after 4 iterations. iteration 27: trace = 1.073686048065295 (0.00191904% change) linmin: converged after 5 iterations. iteration 28: trace = 1.073664807517757 (0.0019783% change) linmin: converged after 5 iterations. iteration 29: trace = 1.073643487597951 (0.00198573% change) linmin: converged after 4 iterations. iteration 30: trace = 1.073622933050627 (0.00191449% change) linmin: converged after 4 iterations. iteration 31: trace = 1.073603845346755 (0.00177789% change) linmin: converged after 6 iterations. iteration 32: trace = 1.073586422595537 (0.00162284% change) linmin: converged after 5 iterations. iteration 33: trace = 1.073570337616839 (0.00149826% change) linmin: converged after 6 iterations. iteration 34: trace = 1.073554964235346 (0.001432% change) linmin: converged after 4 iterations. iteration 35: trace = 1.07353962913353 (0.00142845% change) linmin: converged after 4 iterations. iteration 36: trace = 1.07352380058229 (0.00147444% change) linmin: converged after 4 iterations. iteration 37: trace = 1.07350721916049 (0.00154459% change) linmin: converged after 4 iterations. iteration 38: trace = 1.073489950025206 (0.00160868% change) linmin: converged after 4 iterations. iteration 39: trace = 1.073472300742344 (0.00164412% change) linmin: converged after 4 iterations. iteration 40: trace = 1.073454608133454 (0.00164818% change) linmin: converged after 4 iterations. iteration 41: trace = 1.073437013942841 (0.00163904% change) linmin: converged after 4 iterations. iteration 42: trace = 1.073419364058392 (0.00164425% change) linmin: converged after 4 iterations. iteration 43: trace = 1.073401253309573 (0.00168722% change) linmin: converged after 4 iterations. iteration 44: trace = 1.073382150317043 (0.00177969% change) linmin: converged after 4 iterations. iteration 45: trace = 1.07336154432539 (0.00191974% change) linmin: converged after 4 iterations. iteration 46: trace = 1.073339086928109 (0.00209227% change) linmin: converged after 4 iterations. iteration 47: trace = 1.073314699937172 (0.00227209% change) linmin: converged after 4 iterations. iteration 48: trace = 1.073288605942993 (0.00243119% change) linmin: converged after 4 iterations. iteration 49: trace = 1.073261255811686 (0.00254829% change) linmin: converged after 4 iterations. iteration 50: trace = 1.073233183714413 (0.00261562% change) linmin: converged after 4 iterations. iteration 51: trace = 1.073204865455954 (0.00263863% change) linmin: converged after 4 iterations. iteration 52: trace = 1.073176643673077 (0.00262971% change) linmin: converged after 4 iterations. iteration 53: trace = 1.073148730865096 (0.00260099% change) linmin: converged after 4 iterations. iteration 54: trace = 1.073121259315561 (0.00255993% change) linmin: converged after 4 iterations. iteration 55: trace = 1.07309433867515 (0.00250866% change) linmin: converged after 5 iterations. iteration 56: trace = 1.073068095131715 (0.00244563% change) linmin: converged after 6 iterations. iteration 57: trace = 1.073042683039002 (0.0023682% change) linmin: converged after 4 iterations. iteration 58: trace = 1.07301827264155 (0.0022749% change) linmin: converged after 4 iterations. iteration 59: trace = 1.072995024705294 (0.00216662% change) linmin: converged after 4 iterations. iteration 60: trace = 1.072973064582972 (0.00204664% change) linmin: converged after 4 iterations. iteration 61: trace = 1.072952465308809 (0.00191985% change) linmin: converged after 4 iterations. iteration 62: trace = 1.072933243744828 (0.00179148% change) linmin: converged after 4 iterations. iteration 63: trace = 1.072915368319464 (0.00166605% change) linmin: converged after 4 iterations. iteration 64: trace = 1.072898773564854 (0.00154671% change) linmin: converged after 4 iterations. iteration 65: trace = 1.072883375990663 (0.00143515% change) linmin: converged after 6 iterations. iteration 66: trace = 1.0728690870667 (0.00133183% change) linmin: converged after 4 iterations. iteration 67: trace = 1.072855821086758 (0.0012365% change) linmin: converged after 5 iterations. iteration 68: trace = 1.072843497615136 (0.00114867% change) linmin: converged after 4 iterations. iteration 69: trace = 1.072832039669942 (0.001068% change) resetting CG direction... large trace change predicted (0.0590982%) linmin: converged after 3 iterations. iteration 70: trace = 1.072198123213173 (0.0591056% change) linmin: converged after 3 iterations. iteration 71: trace = 1.071347118239733 (0.0794016% change) linmin: converged after 5 iterations. iteration 72: trace = 1.070541463028519 (0.0752285% change) linmin: converged after 5 iterations. iteration 73: trace = 1.069893830565265 (0.0605141% change) linmin: converged after 4 iterations. iteration 74: trace = 1.069675879075328 (0.0203734% change) linmin: converged after 4 iterations. iteration 75: trace = 1.069604565077048 (0.0066671% change) linmin: converged after 4 iterations. iteration 76: trace = 1.069582041223729 (0.00210583% change) linmin: converged after 4 iterations. iteration 77: trace = 1.069571765034444 (0.000960771% change) linmin: converged after 3 iterations. iteration 78: trace = 1.069569886835617 (0.000175603% change) linmin: converged after 24 iterations. iteration 79: trace = 1.06956893456843 (8.90328e-05% change) linmin: converged after 4 iterations. iteration 80: trace = 1.069568397381592 (5.02246e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 1.069567984275286 (3.86237e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 1.069567784172026 (1.87088e-05% change) linmin: converged after 10 iterations. iteration 83: trace = 1.069567559606956 (2.09959e-05% change) linmin: converged after 4 iterations. iteration 84: trace = 1.06956739532616 (1.53596e-05% change) linmin: converged after 3 iterations. iteration 85: trace = 1.069567279689921 (1.08115e-05% change) linmin: converged after 7 iterations. iteration 86: trace = 1.069567202427575 (7.2237e-06% change) linmin: converged after 13 iterations. iteration 87: trace = 1.069567123735572 (7.35737e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 1.069566990372406 (1.24689e-05% change) linmin: converged after 4 iterations. iteration 89: trace = 1.069566806435123 (1.71974e-05% change) linmin: converged after 18 iterations. iteration 90: trace = 1.069566611505561 (1.82251e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 1.069566258368391 (3.30169e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 1.069565649811474 (5.68976e-05% change) large trace change predicted (0.000165074%) linmin: converged after 4 iterations. iteration 93: trace = 1.069563887345637 (0.000164783% change) large trace change predicted (0.000584339%) linmin: converged after 6 iterations. iteration 94: trace = 1.069557815178935 (0.000567725% change) large trace change predicted (0.00612923%) linmin: converged after 7 iterations. iteration 95: trace = 1.069531840301829 (0.00242859% change) linmin: converged after 7 iterations. iteration 96: trace = 1.06951158152307 (0.00189419% change) linmin: converged after 7 iterations. iteration 97: trace = 1.06949650195719 (0.00140996% change) linmin: converged after 7 iterations. iteration 98: trace = 1.069483719262493 (0.00119521% change) linmin: converged after 6 iterations. iteration 99: trace = 1.069471280069923 (0.00116311% change) linmin: converged after 5 iterations. iteration 100: trace = 1.069459236278697 (0.00112615% change) linmin: converged after 6 iterations. iteration 101: trace = 1.069448853527677 (0.000970846% change) linmin: converged after 9 iterations. iteration 102: trace = 1.069440425309504 (0.000788093% change) linmin: converged after 6 iterations. iteration 103: trace = 1.069433418690631 (0.000655169% change) linmin: converged after 7 iterations. iteration 104: trace = 1.069427354305229 (0.000567067% change) linmin: converged after 7 iterations. iteration 105: trace = 1.069421994829825 (0.000501155% change) linmin: converged after 7 iterations. iteration 106: trace = 1.06941724042802 (0.000444578% change) linmin: converged after 5 iterations. iteration 107: trace = 1.069413025117769 (0.00039417% change) linmin: converged after 5 iterations. iteration 108: trace = 1.069409275547888 (0.00035062% change) linmin: converged after 8 iterations. iteration 109: trace = 1.069405911972547 (0.000314527% change) linmin: converged after 6 iterations. iteration 110: trace = 1.069402860891335 (0.000285307% change) linmin: converged after 5 iterations. iteration 111: trace = 1.069400062375236 (0.00026169% change) linmin: converged after 7 iterations. iteration 112: trace = 1.069397472713876 (0.00024216% change) linmin: converged after 6 iterations. iteration 113: trace = 1.069395060383547 (0.000225579% change) linmin: converged after 9 iterations. iteration 114: trace = 1.069392801032389 (0.000211274% change) linmin: converged after 8 iterations. iteration 115: trace = 1.069390673738402 (0.000198926% change) linmin: converged after 6 iterations. iteration 116: trace = 1.069388657714768 (0.000188521% change) linmin: converged after 6 iterations. iteration 117: trace = 1.069386731644227 (0.00018011% change) linmin: converged after 5 iterations. iteration 118: trace = 1.069384873730894 (0.000173736% change) linmin: converged after 5 iterations. iteration 119: trace = 1.069383062883039 (0.000169336% change) linmin: converged after 10 iterations. iteration 120: trace = 1.069381280066676 (0.000166715% change) linmin: converged after 7 iterations. iteration 121: trace = 1.069379509487148 (0.000165571% change) linmin: converged after 8 iterations. iteration 122: trace = 1.069377739525456 (0.000165513% change) linmin: converged after 6 iterations. iteration 123: trace = 1.069375963507896 (0.00016608% change) linmin: converged after 10 iterations. iteration 124: trace = 1.069374179731154 (0.000166806% change) linmin: converged after 5 iterations. iteration 125: trace = 1.069372391031961 (0.000167266% change) linmin: converged after 7 iterations. iteration 126: trace = 1.069370603907787 (0.000167119% change) linmin: converged after 10 iterations. iteration 127: trace = 1.069368827217261 (0.000166144% change) linmin: converged after 5 iterations. iteration 128: trace = 1.069367070674866 (0.00016426% change) linmin: converged after 6 iterations. iteration 129: trace = 1.069365343459912 (0.000161518% change) linmin: converged after 6 iterations. iteration 130: trace = 1.069363653232463 (0.000158059% change) linmin: converged after 6 iterations. iteration 131: trace = 1.06936200548704 (0.000154087% change) linmin: converged after 7 iterations. iteration 132: trace = 1.069360403300531 (0.000149827% change) linmin: converged after 14 iterations. iteration 133: trace = 1.069358847548523 (0.000145484% change) linmin: converged after 6 iterations. iteration 134: trace = 1.069357337356084 (0.000141224% change) linmin: converged after 7 iterations. iteration 135: trace = 1.069355870473734 (0.000137174% change) linmin: converged after 6 iterations. iteration 136: trace = 1.069354443947797 (0.000133401% change) linmin: converged after 8 iterations. iteration 137: trace = 1.069353054482242 (0.000129935% change) linmin: converged after 5 iterations. iteration 138: trace = 1.069351698944842 (0.000126762% change) linmin: converged after 8 iterations. iteration 139: trace = 1.069350374574078 (0.000123848% change) resetting CG direction... large trace change predicted (0.014546%) linmin: converged after 4 iterations. iteration 140: trace = 1.069194674078868 (0.0145613% change) linmin: converged after 3 iterations. iteration 141: trace = 1.069117229618983 (0.00724351% change) linmin: converged after 3 iterations. iteration 142: trace = 1.069075435411627 (0.0039093% change) linmin: converged after 4 iterations. iteration 143: trace = 1.069028118000609 (0.00442611% change) linmin: converged after 5 iterations. iteration 144: trace = 1.068963764327453 (0.00602001% change) linmin: converged after 5 iterations. iteration 145: trace = 1.068914031982284 (0.0046525% change) linmin: converged after 7 iterations. iteration 146: trace = 1.06885669529657 (0.00536416% change) linmin: converged after 6 iterations. iteration 147: trace = 1.068800655539407 (0.0052431% change) linmin: converged after 3 iterations. iteration 148: trace = 1.068757373421296 (0.00404968% change) linmin: converged after 5 iterations. iteration 149: trace = 1.06871741940429 (0.00373843% change) linmin: converged after 9 iterations. iteration 150: trace = 1.068678935993993 (0.00360096% change) linmin: converged after 6 iterations. iteration 151: trace = 1.068654694120156 (0.00226842% change) linmin: converged after 5 iterations. iteration 152: trace = 1.068642743934376 (0.00111825% change) linmin: converged after 5 iterations. iteration 153: trace = 1.068637179155169 (0.000520735% change) linmin: converged after 8 iterations. iteration 154: trace = 1.068633795993423 (0.000316587% change) linmin: converged after 8 iterations. iteration 155: trace = 1.068631062838858 (0.000255762% change) linmin: converged after 5 iterations. iteration 156: trace = 1.06862861063566 (0.000229472% change) linmin: converged after 7 iterations. iteration 157: trace = 1.068627264826065 (0.000125938% change) linmin: converged after 5 iterations. iteration 158: trace = 1.068626757620196 (4.74633e-05% change) linmin: converged after 4 iterations. iteration 159: trace = 1.068626630711401 (1.18759e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 1.068626598200819 (3.04228e-06% change) linmin: converged after 8 iterations. iteration 161: trace = 1.068626583537483 (1.37217e-06% change) linmin: converged after 4 iterations. iteration 162: trace = 1.068626572382386 (1.04387e-06% change) linmin: converged after 3 iterations. iteration 163: trace = 1.068626562840985 (8.92866e-07% change) linmin: converged after 7 iterations. iteration 164: trace = 1.068626555549581 (6.82315e-07% change) linmin: converged after 15 iterations. iteration 165: trace = 1.068626551021941 (4.23688e-07% change) linmin: converged after 4 iterations. iteration 166: trace = 1.06862654726605 (3.51469e-07% change) linmin: converged after 4 iterations. iteration 167: trace = 1.068626545007675 (2.11334e-07% change) linmin: converged after 9 iterations. iteration 168: trace = 1.068626543631622 (1.28768e-07% change) linmin: converged after 5 iterations. iteration 169: trace = 1.068626542457055 (1.09914e-07% change) linmin: converged after 4 iterations. iteration 170: trace = 1.068626540775745 (1.57334e-07% change) large trace change predicted (3.15175e-07%) linmin: converged after 7 iterations. iteration 171: trace = 1.068626537407016 (3.15239e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 1.068626533723195 (3.44725e-07% change) linmin: converged after 21 iterations. iteration 173: trace = 1.068626531663351 (1.92756e-07% change) linmin: converged after 12 iterations. iteration 174: trace = 1.068626530817167 (7.91843e-08% change) linmin: converged after 12 iterations. iteration 175: trace = 1.068626530497293 (2.99332e-08% change) linmin: converged after 7 iterations. iteration 176: trace = 1.068626530333551 (1.53227e-08% change) linmin: converged after 4 iterations. iteration 177: trace = 1.068626530258664 (7.00774e-09% change) linmin: converged after 6 iterations. iteration 178: trace = 1.068626530162968 (8.95508e-09% change) large trace change predicted (2.12929e-08%) linmin: converged after 4 iterations. iteration 179: trace = 1.068626529935186 (2.13153e-08% change) linmin: converged after 8 iterations. iteration 180: trace = 1.06862652955323 (3.57428e-08% change) linmin: converged after 5 iterations. iteration 181: trace = 1.068626528973315 (5.42673e-08% change) linmin: converged after 4 iterations. iteration 182: trace = 1.068626528427385 (5.10871e-08% change) linmin: converged after 5 iterations. iteration 183: trace = 1.06862652772693 (6.55472e-08% change) linmin: converged after 5 iterations. iteration 184: trace = 1.06862652690388 (7.70194e-08% change) linmin: converged after 3 iterations. iteration 185: trace = 1.068626526189199 (6.68785e-08% change) linmin: converged after 4 iterations. iteration 186: trace = 1.068626525702382 (4.55554e-08% change) linmin: converged after 9 iterations. iteration 187: trace = 1.068626525445897 (2.40013e-08% change) linmin: converged after 3 iterations. iteration 188: trace = 1.068626525378705 (6.28772e-09% change) linmin: converged after 4 iterations. iteration 189: trace = 1.068626525351078 (2.58526e-09% change) linmin: converged after 3 iterations. iteration 190: trace = 1.06862652533912 (1.11901e-09% change) linmin: converged after 3 iterations. iteration 191: trace = 1.068626525324242 (1.39231e-09% change) linmin: converged after 3 iterations. iteration 192: trace = 1.068626525309263 (1.4017e-09% change) linmin: converged after 4 iterations. iteration 193: trace = 1.068626525303099 (5.7679e-10% change) linmin: converged after 4 iterations. iteration 194: trace = 1.068626525300159 (2.7517e-10% change) linmin: converged after 5 iterations. iteration 195: trace = 1.068626525298999 (1.08505e-10% change) linmin: converged after 3 iterations. iteration 196: trace = 1.068626525298606 (3.68195e-11% change) Finished solving for bands 1 to 5 after 196 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 elapsed time for k point: 2.410430908203125 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.09676373046218 (4.83164% change) linmin: converged after 4 iterations. iteration 2: trace = 1.082691277589466 (1.29137% change) linmin: converged after 3 iterations. iteration 3: trace = 1.079957260528795 (0.25284% change) linmin: converged after 5 iterations. iteration 4: trace = 1.07764773731734 (0.214082% change) linmin: converged after 4 iterations. iteration 5: trace = 1.076735253705281 (0.0847095% change) linmin: converged after 5 iterations. iteration 6: trace = 1.075213699012749 (0.141412% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074492218765974 (0.0671236% change) linmin: converged after 3 iterations. iteration 8: trace = 1.074213739467549 (0.0259207% change) linmin: converged after 3 iterations. iteration 9: trace = 1.074138188251446 (0.00703341% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074123932232067 (0.00132721% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074120393735298 (0.000329432% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074119608461603 (7.31086e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.074119350205694 (2.40435e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.074119193446577 (1.45942e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.074119086979259 (9.91206e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 1.07411899846238 (8.24088e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074118951624113 (4.36062e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074118930569966 (1.96013e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.074118922703944 (7.32323e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074118920440504 (2.10725e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074118919553628 (8.25677e-08% change) linmin: converged after 20 iterations. iteration 22: trace = 1.074118918883232 (6.24136e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.074118918125842 (7.05127e-08% change) linmin: converged after 24 iterations. iteration 24: trace = 1.074118917274336 (7.92748e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074118916478545 (7.40878e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074118915076856 (1.30497e-07% change) large trace change predicted (3.47216e-07%) linmin: converged after 2 iterations. iteration 27: trace = 1.074118911347338 (3.47216e-07% change) large trace change predicted (1.06055e-06%) linmin: converged after 2 iterations. iteration 28: trace = 1.074118899955731 (1.06055e-06% change) large trace change predicted (3.74552e-06%) linmin: converged after 4 iterations. iteration 29: trace = 1.074118859726342 (3.74534e-06% change) large trace change predicted (2.30294e-05%) linmin: converged after 6 iterations. iteration 30: trace = 1.074118613396065 (2.29332e-05% change) near maximum in trace linmin: converged after 14 iterations. iteration 31: trace = 1.074108656646908 (0.000926974% change) linmin: converged after 7 iterations. iteration 32: trace = 1.074107966624208 (6.42414e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.074107274939571 (6.43962e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 1.074106574379339 (6.52226e-05% change) linmin: converged after 7 iterations. iteration 35: trace = 1.074105856059128 (6.68761e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.074105113322936 (6.91493e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.074104343007871 (7.17169e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 1.074103545951054 (7.42067e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 1.07410272682279 (7.62616e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 1.074101893138382 (7.76169e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 1.074101053725188 (7.81503e-05% change) linmin: converged after 7 iterations. iteration 42: trace = 1.074100217337326 (7.78687e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 1.074099391966481 (7.6843e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 1.074098584810139 (7.51473e-05% change) linmin: converged after 6 iterations. iteration 45: trace = 1.074097802433133 (7.28404e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 1.074097050705479 (6.99869e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 1.074096334430325 (6.66863e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 1.07409565686185 (6.30827e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 1.074095019383428 (5.93503e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 1.07409442149858 (5.56641e-05% change) linmin: converged after 7 iterations. iteration 51: trace = 1.074093861118876 (5.21723e-05% change) linmin: converged after 8 iterations. iteration 52: trace = 1.074093335024875 (4.89803e-05% change) linmin: converged after 9 iterations. iteration 53: trace = 1.07409283939711 (4.61438e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 1.074092370113571 (4.36912e-05% change) linmin: converged after 9 iterations. iteration 55: trace = 1.074091923256406 (4.16032e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 1.074091495242604 (3.98489e-05% change) linmin: converged after 9 iterations. iteration 57: trace = 1.074091082941412 (3.8386e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 1.074090683728918 (3.71675e-05% change) linmin: converged after 5 iterations. iteration 59: trace = 1.074090295505451 (3.61444e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 1.074089916681102 (3.52693e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.074089546094833 (3.45024e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 1.074089182963636 (3.38083e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.074088826791051 (3.31604e-05% change) linmin: converged after 6 iterations. iteration 64: trace = 1.074088477312062 (3.25373e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 1.074088134417222 (3.19243e-05% change) linmin: converged after 6 iterations. iteration 66: trace = 1.07408779808815 (3.1313e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 1.074087468362276 (3.06982e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 1.074087145274952 (3.00802e-05% change) linmin: converged after 5 iterations. iteration 69: trace = 1.074086828846009 (2.94603e-05% change) resetting CG direction... large trace change predicted (0.00552372%) linmin: converged after 5 iterations. iteration 70: trace = 1.074027493717414 (0.00552439% change) linmin: converged after 5 iterations. iteration 71: trace = 1.07398995781575 (0.00349493% change) linmin: converged after 5 iterations. iteration 72: trace = 1.073965807916534 (0.00224864% change) linmin: converged after 8 iterations. iteration 73: trace = 1.073953302254915 (0.00116444% change) linmin: converged after 4 iterations. iteration 74: trace = 1.073950631525306 (0.000248682% change) linmin: converged after 3 iterations. iteration 75: trace = 1.073949453542193 (0.000109687% change) linmin: converged after 6 iterations. iteration 76: trace = 1.073948843714901 (5.67836e-05% change) linmin: converged after 21 iterations. iteration 77: trace = 1.073948012424094 (7.74051e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 1.073947355572637 (6.11623e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 1.073947066424464 (2.69239e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 1.073946952225013 (1.06336e-05% change) linmin: converged after 2 iterations. iteration 81: trace = 1.073946905475717 (4.35304e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 1.073946876259188 (2.72048e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 1.073946859382544 (1.57146e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 1.073946850788527 (8.00227e-07% change) linmin: converged after 6 iterations. iteration 85: trace = 1.073946846427495 (4.06075e-07% change) linmin: converged after 25 iterations. iteration 86: trace = 1.073946843003072 (3.18863e-07% change) linmin: converged after 4 iterations. iteration 87: trace = 1.073946839409046 (3.34656e-07% change) large trace change predicted (7.27062e-07%) linmin: converged after 3 iterations. iteration 88: trace = 1.073946831600816 (7.27059e-07% change) large trace change predicted (1.48103e-06%) linmin: converged after 4 iterations. iteration 89: trace = 1.073946815695358 (1.48103e-06% change) large trace change predicted (4.37951e-06%) linmin: converged after 5 iterations. iteration 90: trace = 1.073946768662516 (4.37944e-06% change) linmin: converged after 6 iterations. iteration 91: trace = 1.073946679821678 (8.27237e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 1.073946529008632 (1.40429e-05% change) linmin: converged after 5 iterations. iteration 93: trace = 1.07394636530593 (1.52431e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 1.073946255251097 (1.02477e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 1.073946149707093 (9.82768e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 1.073946053608511 (8.94818e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 1.073945952647669 (9.40092e-06% change) linmin: converged after 9 iterations. iteration 98: trace = 1.073945869385615 (7.75291e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 1.073945843503251 (2.41003e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 1.0739458373822 (5.69959e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 1.073945836401789 (9.12906e-08% change) linmin: converged after 6 iterations. iteration 102: trace = 1.073945836058058 (3.20064e-08% change) linmin: converged after 5 iterations. iteration 103: trace = 1.073945835877834 (1.67814e-08% change) linmin: converged after 21 iterations. iteration 104: trace = 1.073945835763812 (1.06171e-08% change) linmin: converged after 7 iterations. iteration 105: trace = 1.073945835716336 (4.42069e-09% change) linmin: converged after 10 iterations. iteration 106: trace = 1.073945835701665 (1.36606e-09% change) linmin: converged after 3 iterations. iteration 107: trace = 1.073945835696708 (4.61624e-10% change) linmin: converged after 4 iterations. iteration 108: trace = 1.073945835694309 (2.23296e-10% change) linmin: converged after 13 iterations. iteration 109: trace = 1.073945835692663 (1.5333e-10% change) linmin: converged after 3 iterations. iteration 110: trace = 1.073945835691533 (1.05239e-10% change) linmin: converged after 3 iterations. iteration 111: trace = 1.073945835690725 (7.52385e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 elapsed time for k point: 0.9753363132476807 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.093863489470061 (5.33662% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078476777688544 (1.4166% change) linmin: converged after 4 iterations. iteration 3: trace = 1.076328697155982 (0.199376% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075208255595951 (0.104153% change) linmin: converged after 4 iterations. iteration 5: trace = 1.07503517157428 (0.016099% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074955695782235 (0.00739313% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074896058833362 (0.00554801% change) linmin: converged after 5 iterations. iteration 8: trace = 1.074864563428873 (0.00293013% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074852338404324 (0.00113736% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074850012942938 (0.000216352% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074849426029419 (5.46042e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074849271410158 (1.43852e-05% change) linmin: converged after 9 iterations. iteration 13: trace = 1.074849229292721 (3.91845e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.074849215166149 (1.31428e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.074849211829465 (3.10433e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 1.074849210719722 (1.03246e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074849209946279 (7.19582e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074849209005695 (8.75085e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 1.074849207760994 (1.15802e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074849206703752 (9.83619e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074849205562663 (1.06163e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074849203559148 (1.864e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.074849200235667 (3.09204e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074849195274801 (4.61541e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074849189777705 (5.11429e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074849181222386 (7.95955e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.074849167022692 (1.32109e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.074849153566981 (1.25187e-06% change) linmin: converged after 16 iterations. iteration 29: trace = 1.074849145742549 (7.27956e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 1.074849142292259 (3.21002e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 1.074849140247105 (1.90274e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.07484913871434 (1.42603e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.074849137906281 (7.51787e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.074849137608582 (2.76969e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.074849137533784 (6.9589e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 1.074849137516846 (1.57591e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.074849137512896 (3.67489e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 1.074849137511864 (9.60194e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.4374203681945801 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.078756946581757 (0.894499% change) linmin: converged after 5 iterations. iteration 2: trace = 1.075235337821099 (0.326984% change) linmin: converged after 5 iterations. iteration 3: trace = 1.073638839416679 (0.148589% change) linmin: converged after 4 iterations. iteration 4: trace = 1.073077825185615 (0.0522672% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072780827427175 (0.027681% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072586993276598 (0.01807% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072447691945423 (0.0129883% change) linmin: converged after 4 iterations. iteration 8: trace = 1.07239326667108 (0.00507499% change) linmin: converged after 4 iterations. iteration 9: trace = 1.07236325167962 (0.00279892% change) linmin: converged after 4 iterations. iteration 10: trace = 1.072354631902956 (0.000803814% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072350311724843 (0.000402869% change) linmin: converged after 5 iterations. iteration 12: trace = 1.072348215271241 (0.000195501% change) linmin: converged after 4 iterations. iteration 13: trace = 1.072347360434731 (7.97163e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.072346902122047 (4.27392e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.072346623483659 (2.5984e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.072346159275199 (4.3289e-05% change) large trace change predicted (0.000101681%) linmin: converged after 5 iterations. iteration 17: trace = 1.072345068890038 (0.000101682% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072342995658238 (0.000193336% change) linmin: converged after 6 iterations. iteration 19: trace = 1.072339903829155 (0.000288325% change) linmin: converged after 5 iterations. iteration 20: trace = 1.072336586509769 (0.000309354% change) linmin: converged after 7 iterations. iteration 21: trace = 1.072331067849422 (0.00051464% change) linmin: converged after 5 iterations. iteration 22: trace = 1.07232082224701 (0.000955456% change) linmin: converged after 5 iterations. iteration 23: trace = 1.072308842030553 (0.00111723% change) linmin: converged after 4 iterations. iteration 24: trace = 1.072300271286768 (0.000799283% change) linmin: converged after 4 iterations. iteration 25: trace = 1.072297170565835 (0.000289166% change) linmin: converged after 3 iterations. iteration 26: trace = 1.072296311606893 (8.01046e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.072296078653345 (2.17247e-05% change) linmin: converged after 3 iterations. iteration 28: trace = 1.072296014168777 (6.01369e-06% change) linmin: converged after 24 iterations. iteration 29: trace = 1.072295982383621 (2.96421e-06% change) linmin: converged after 15 iterations. iteration 30: trace = 1.072295961925376 (1.90789e-06% change) linmin: converged after 7 iterations. iteration 31: trace = 1.072295950654601 (1.05109e-06% change) linmin: converged after 3 iterations. iteration 32: trace = 1.072295945180989 (5.10457e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 1.072295942506052 (2.49459e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.072295940839705 (1.554e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.072295940001716 (7.8149e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.072295939666597 (3.12525e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.072295939534582 (1.23115e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.072295939489791 (4.17712e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.072295939475879 (1.29736e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.072295939471375 (4.2005e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.072295939468839 (2.36479e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.072295939464564 (3.987e-10% change) large trace change predicted (1.11332e-09%) linmin: converged after 2 iterations. iteration 43: trace = 1.072295939452623 (1.1136e-09% change) large trace change predicted (2.51363e-09%) linmin: converged after 2 iterations. iteration 44: trace = 1.072295939425672 (2.5134e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 1.072295939386053 (3.69472e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 1.072295939340153 (4.28055e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 1.072295939279222 (5.68236e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 1.072295939194636 (7.88826e-09% change) linmin: converged after 14 iterations. iteration 49: trace = 1.072295939101619 (8.67454e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 1.072295939034332 (6.27509e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.072295939004893 (2.74541e-09% change) linmin: converged after 3 iterations. iteration 52: trace = 1.072295938995445 (8.81141e-10% change) linmin: converged after 9 iterations. iteration 53: trace = 1.072295938992633 (2.62197e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 1.072295938991753 (8.20841e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 elapsed time for k point: 0.5695369243621826 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.073401218506954 (0.802321% change) linmin: converged after 5 iterations. iteration 2: trace = 1.070911358186742 (0.232229% change) linmin: converged after 4 iterations. iteration 3: trace = 1.069941901356453 (0.0905673% change) linmin: converged after 4 iterations. iteration 4: trace = 1.069553512469482 (0.0363066% change) linmin: converged after 4 iterations. iteration 5: trace = 1.069331087282139 (0.0207982% change) linmin: converged after 4 iterations. iteration 6: trace = 1.069162619782136 (0.0157557% change) linmin: converged after 4 iterations. iteration 7: trace = 1.06905313998237 (0.0102403% change) linmin: converged after 4 iterations. iteration 8: trace = 1.069016273147659 (0.00344861% change) linmin: converged after 4 iterations. iteration 9: trace = 1.068993109651654 (0.00216683% change) linmin: converged after 4 iterations. iteration 10: trace = 1.068984047122717 (0.000847767% change) linmin: converged after 4 iterations. iteration 11: trace = 1.06897880030921 (0.000490824% change) linmin: converged after 4 iterations. iteration 12: trace = 1.068976671400316 (0.000199154% change) linmin: converged after 4 iterations. iteration 13: trace = 1.068976061675412 (5.70382e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.068975835503111 (2.11578e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.068975752616184 (7.75386e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.068975691300615 (5.73592e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.068975611585199 (7.45718e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 1.068975504394132 (1.00275e-05% change) linmin: converged after 13 iterations. iteration 19: trace = 1.068975371946158 (1.23902e-05% change) linmin: converged after 15 iterations. iteration 20: trace = 1.068975238400153 (1.24929e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.06897500900797 (2.14591e-05% change) large trace change predicted (5.31033e-05%) linmin: converged after 4 iterations. iteration 22: trace = 1.06897444137869 (5.31003e-05% change) large trace change predicted (0.000113315%) linmin: converged after 3 iterations. iteration 23: trace = 1.068973230351379 (0.000113289% change) linmin: converged after 6 iterations. iteration 24: trace = 1.06897161225228 (0.00015137% change) linmin: converged after 6 iterations. iteration 25: trace = 1.068970673722614 (8.77975e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.068970296062492 (3.53293e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.068970144206493 (1.42058e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 1.068970064617742 (7.44537e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 1.068970000607836 (5.988e-06% change) linmin: converged after 16 iterations. iteration 30: trace = 1.068969962460986 (3.56856e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.068969945599901 (1.57732e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.068969938463749 (6.67573e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.068969934705131 (3.51611e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.068969932325581 (2.22602e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.068969931392087 (8.73265e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 1.068969931132231 (2.4309e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.068969931062231 (6.54836e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 1.068969931043933 (1.71176e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.068969931038534 (5.05088e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 1.06896993103669 (1.72489e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.068969931035931 (7.09773e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 elapsed time for k point: 0.3722386360168457 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.07210087104172 (0.745891% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069747625154363 (0.21974% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068703623581534 (0.0976409% change) linmin: converged after 4 iterations. iteration 4: trace = 1.06787537155338 (0.0775307% change) linmin: converged after 4 iterations. iteration 5: trace = 1.067259421669873 (0.0576966% change) linmin: converged after 5 iterations. iteration 6: trace = 1.066744514113844 (0.0482574% change) linmin: converged after 4 iterations. iteration 7: trace = 1.066542840030842 (0.0189074% change) linmin: converged after 4 iterations. iteration 8: trace = 1.066494016835053 (0.00457781% change) linmin: converged after 4 iterations. iteration 9: trace = 1.066464593745213 (0.0027589% change) linmin: converged after 4 iterations. iteration 10: trace = 1.066451587651854 (0.00121956% change) linmin: converged after 4 iterations. iteration 11: trace = 1.066443672010177 (0.000742244% change) linmin: converged after 4 iterations. iteration 12: trace = 1.066440721230631 (0.000276694% change) linmin: converged after 4 iterations. iteration 13: trace = 1.066439849497521 (8.17423e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.066439375236251 (4.44715e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.066439009933316 (3.42545e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.066438547210227 (4.33896e-05% change) linmin: converged after 14 iterations. iteration 17: trace = 1.066438083387294 (4.34927e-05% change) linmin: converged after 15 iterations. iteration 18: trace = 1.066437660409854 (3.96626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.066437091992715 (5.33006e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 1.066436003254613 (0.000102091% change) large trace change predicted (0.000276028%) linmin: converged after 5 iterations. iteration 21: trace = 1.06643306101055 (0.000275895% change) linmin: converged after 3 iterations. iteration 22: trace = 1.066427934770839 (0.000480691% change) linmin: converged after 5 iterations. iteration 23: trace = 1.06642432669396 (0.000338334% change) linmin: converged after 13 iterations. iteration 24: trace = 1.066422960619856 (0.000128099% change) linmin: converged after 4 iterations. iteration 25: trace = 1.066422499826517 (4.32093e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.066422186812465 (2.93518e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.06642189052926 (2.77829e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 1.066421685763602 (1.92012e-05% change) linmin: converged after 15 iterations. iteration 29: trace = 1.066421590549711 (8.92835e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.066421557709065 (3.07952e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.066421543618788 (1.32127e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.066421537040994 (6.1681e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.06642153395643 (2.89244e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.066421532545999 (1.32258e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.066421532098645 (4.19491e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.066421531981016 (1.10303e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.066421531947826 (3.11233e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 1.066421531934552 (1.24475e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.066421531923714 (1.01625e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 1.066421531913866 (9.23432e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.066421531908594 (4.94427e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.066421531906733 (1.74505e-10% change) linmin: converged after 6 iterations. iteration 43: trace = 1.06642153190616 (5.37402e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 elapsed time for k point: 0.3099973201751709 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.069785773582439 (0.695776% change) linmin: converged after 4 iterations. iteration 2: trace = 1.067527570063895 (0.211312% change) linmin: converged after 4 iterations. iteration 3: trace = 1.066558947063649 (0.0907764% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065685964046792 (0.0818839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065178396934747 (0.0476396% change) linmin: converged after 4 iterations. iteration 6: trace = 1.064838989620205 (0.031869% change) linmin: converged after 4 iterations. iteration 7: trace = 1.064736335048867 (0.00964085% change) linmin: converged after 4 iterations. iteration 8: trace = 1.064718062404295 (0.00171618% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064709443693912 (0.000809486% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064705784333718 (0.000343696% change) linmin: converged after 6 iterations. iteration 11: trace = 1.064703064045394 (0.000255497% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064701652732799 (0.000132555% change) linmin: converged after 4 iterations. iteration 13: trace = 1.06470118218853 (4.4195e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.064700943603852 (2.24086e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.064700802693302 (1.32348e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.064700694078543 (1.02014e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064700636606554 (5.39795e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.064700617115639 (1.83065e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.064700610391738 (6.3153e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064700607863227 (2.37486e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064700605633887 (2.09387e-07% change) large trace change predicted (4.79923e-07%) linmin: converged after 2 iterations. iteration 22: trace = 1.064700600524144 (4.79923e-07% change) large trace change predicted (1.42414e-06%) linmin: converged after 12 iterations. iteration 23: trace = 1.064700585361344 (1.42414e-06% change) large trace change predicted (2.9795e-06%) linmin: converged after 3 iterations. iteration 24: trace = 1.064700553639115 (2.97945e-06% change) linmin: converged after 20 iterations. iteration 25: trace = 1.06470052678614 (2.52212e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064700508730731 (1.69582e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.064700490073184 (1.75238e-06% change) linmin: converged after 24 iterations. iteration 28: trace = 1.064700466708129 (2.19452e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 1.064700446691999 (1.87998e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.064700438159564 (8.01393e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.064700434712853 (3.23726e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.064700432935417 (1.66942e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.064700431874728 (9.96233e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 1.064700431313315 (5.27297e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.064700431122884 (1.78859e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.064700431069199 (5.04225e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 1.064700431049591 (1.84159e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 1.064700431037441 (1.14119e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 1.064700431026596 (1.01859e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 1.064700431020414 (5.80648e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 1.064700431018627 (1.67863e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.064700431018219 (3.82692e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 elapsed time for k point: 0.3042755126953125 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.07102135025323 (0.625217% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069008626705355 (0.188102% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068158244968759 (0.0795803% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067197593263683 (0.0899758% change) linmin: converged after 4 iterations. iteration 5: trace = 1.066544127991008 (0.0612506% change) linmin: converged after 5 iterations. iteration 6: trace = 1.065958659747478 (0.054909% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065750318740433 (0.0195469% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065675510628551 (0.00701954% change) linmin: converged after 4 iterations. iteration 9: trace = 1.065611170312027 (0.0060377% change) linmin: converged after 4 iterations. iteration 10: trace = 1.065570512593531 (0.00381551% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065544557362741 (0.00243584% change) linmin: converged after 4 iterations. iteration 12: trace = 1.065536856806759 (0.00072269% change) linmin: converged after 4 iterations. iteration 13: trace = 1.065534821684941 (0.000190995% change) linmin: converged after 4 iterations. iteration 14: trace = 1.06553386588685 (8.97013e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.065533310006943 (5.21692e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 1.065532898639761 (3.86067e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.065532683273434 (2.02121e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 1.065532562793897 (1.1307e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 1.06553241194823 (1.41568e-05% change) large trace change predicted (2.83328e-05%) linmin: converged after 5 iterations. iteration 20: trace = 1.065532110048137 (2.83333e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.065531537829716 (5.37026e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.065530957301291 (5.44825e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.065530503251296 (4.26126e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.065529848637876 (6.14355e-05% change) large trace change predicted (0.000173392%) linmin: converged after 7 iterations. iteration 25: trace = 1.065528002339836 (0.000173275% change) large trace change predicted (0.000909711%) linmin: converged after 4 iterations. iteration 26: trace = 1.065518574727253 (0.000884787% change) large trace change predicted (0.00393925%) linmin: converged after 8 iterations. iteration 27: trace = 1.065486645930534 (0.00299659% change) linmin: converged after 7 iterations. iteration 28: trace = 1.065452554312377 (0.00319968% change) linmin: converged after 15 iterations. iteration 29: trace = 1.065430694062877 (0.00205175% change) linmin: converged after 4 iterations. iteration 30: trace = 1.065419520873003 (0.00104871% change) linmin: converged after 4 iterations. iteration 31: trace = 1.065412511941131 (0.000657859% change) linmin: converged after 4 iterations. iteration 32: trace = 1.065407624927191 (0.000458698% change) linmin: converged after 4 iterations. iteration 33: trace = 1.065405106256101 (0.000236405% change) linmin: converged after 4 iterations. iteration 34: trace = 1.065404017239764 (0.000102216% change) linmin: converged after 7 iterations. iteration 35: trace = 1.065403611191079 (3.81122e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 1.065403441828039 (1.58966e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 1.065403323931502 (1.10659e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 1.065403209114892 (1.07768e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.065403107364856 (9.55038e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 1.065403054387149 (4.97255e-06% change) linmin: converged after 3 iterations. iteration 41: trace = 1.065403036014426 (1.72449e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.065403029074995 (6.51343e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 1.065403024643697 (4.15927e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 1.065403021191505 (3.24027e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.065403018975985 (2.07951e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 1.065403018005738 (9.10685e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 1.065403017543515 (4.33848e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.065403017076432 (4.3841e-08% change) large trace change predicted (8.98844e-08%) linmin: converged after 2 iterations. iteration 49: trace = 1.065403016118797 (8.98848e-08% change) large trace change predicted (2.34693e-07%) linmin: converged after 2 iterations. iteration 50: trace = 1.065403013618366 (2.34693e-07% change) large trace change predicted (5.60917e-07%) linmin: converged after 3 iterations. iteration 51: trace = 1.065403007642306 (5.6092e-07% change) linmin: converged after 17 iterations. iteration 52: trace = 1.065402998322922 (8.74729e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 1.065402986266862 (1.1316e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 1.065402969178449 (1.60394e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 1.065402943674205 (2.39386e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 1.065402909801809 (3.1793e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 1.0654028805448 (2.7461e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 1.065402867306225 (1.24259e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 1.065402862588771 (4.42786e-07% change) linmin: converged after 3 iterations. iteration 60: trace = 1.065402860542757 (1.92041e-07% change) linmin: converged after 2 iterations. iteration 61: trace = 1.065402859235994 (1.22654e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 1.065402858140702 (1.02805e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 1.065402857385879 (7.08485e-08% change) linmin: converged after 2 iterations. iteration 64: trace = 1.065402857037139 (3.27332e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 1.065402856879915 (1.47573e-08% change) linmin: converged after 12 iterations. iteration 66: trace = 1.065402856783426 (9.05656e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 1.06540285669882 (7.94121e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.065402856628581 (6.59277e-09% change) linmin: converged after 5 iterations. iteration 69: trace = 1.065402856591345 (3.49495e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.065402856578412 (1.21395e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 1.065402856572634 (5.42293e-10% change) linmin: converged after 3 iterations. iteration 72: trace = 1.065402856570871 (1.65481e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 1.065402856570094 (7.29448e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 elapsed time for k point: 0.5300416946411133 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065652986634801 (0.504169% change) linmin: converged after 5 iterations. iteration 2: trace = 1.063445114738671 (0.2074% change) linmin: converged after 4 iterations. iteration 3: trace = 1.062314064658214 (0.106414% change) linmin: converged after 5 iterations. iteration 4: trace = 1.060800078337779 (0.142619% change) linmin: converged after 5 iterations. iteration 5: trace = 1.059864885140574 (0.0881981% change) linmin: converged after 5 iterations. iteration 6: trace = 1.058934077527141 (0.0878618% change) linmin: converged after 4 iterations. iteration 7: trace = 1.058590167425031 (0.0324823% change) linmin: converged after 4 iterations. iteration 8: trace = 1.058340293631423 (0.0236072% change) linmin: converged after 5 iterations. iteration 9: trace = 1.058044369944337 (0.027965% change) linmin: converged after 4 iterations. iteration 10: trace = 1.057844196498605 (0.018921% change) linmin: converged after 4 iterations. iteration 11: trace = 1.057733299053829 (0.0104839% change) linmin: converged after 4 iterations. iteration 12: trace = 1.05768688610645 (0.00438806% change) linmin: converged after 4 iterations. iteration 13: trace = 1.057643718296448 (0.00408142% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057601094515691 (0.00403015% change) linmin: converged after 4 iterations. iteration 15: trace = 1.057574169318424 (0.00254591% change) linmin: converged after 4 iterations. iteration 16: trace = 1.057560843562136 (0.00126004% change) linmin: converged after 4 iterations. iteration 17: trace = 1.057554897779985 (0.000562218% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057550493140094 (0.000416494% change) linmin: converged after 5 iterations. iteration 19: trace = 1.0575476220046 (0.00027149% change) linmin: converged after 5 iterations. iteration 20: trace = 1.057546213280055 (0.000133207% change) linmin: converged after 5 iterations. iteration 21: trace = 1.057545647266149 (5.35214e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 1.057545445060972 (1.91202e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 1.05754534645965 (9.3236e-06% change) linmin: converged after 16 iterations. iteration 24: trace = 1.057545294682108 (4.89601e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057545271741688 (2.16921e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057545262910941 (8.35023e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057545260634137 (2.15291e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057545259834002 (7.56597e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.057545259398525 (4.11781e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 1.05754525910819 (2.74536e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.057545258933646 (1.65047e-08% change) linmin: converged after 4 iterations. iteration 32: trace = 1.057545258873737 (5.66485e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.057545258854841 (1.78684e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.057545258846103 (8.26181e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.057545258839637 (6.11473e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.057545258833266 (6.02382e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.05754525882868 (4.33677e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.0575452588261 (2.43934e-10% change) linmin: converged after 2 iterations. iteration 39: trace = 1.057545258824424 (1.58501e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 1.05754525882298 (1.36559e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.057545258821918 (1.00446e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.057545258821419 (4.71365e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 elapsed time for k point: 0.32816147804260254 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051264386853347 (0.453577% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049735266940344 (0.145561% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049264550979229 (0.0448515% change) linmin: converged after 4 iterations. iteration 4: trace = 1.048963507822213 (0.028695% change) linmin: converged after 4 iterations. iteration 5: trace = 1.048842772219768 (0.0115107% change) linmin: converged after 4 iterations. iteration 6: trace = 1.048772455329971 (0.00670446% change) linmin: converged after 4 iterations. iteration 7: trace = 1.048748914239769 (0.00224466% change) linmin: converged after 4 iterations. iteration 8: trace = 1.048744582091003 (0.000413079% change) linmin: converged after 5 iterations. iteration 9: trace = 1.048741973701245 (0.000248716% change) linmin: converged after 4 iterations. iteration 10: trace = 1.048740250692929 (0.000164293% change) linmin: converged after 5 iterations. iteration 11: trace = 1.048738772995067 (0.000140902% change) linmin: converged after 5 iterations. iteration 12: trace = 1.048738138397404 (6.05106e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.048737951057083 (1.78634e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.048737879547407 (6.81864e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.048737847303642 (3.07453e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.048737823461936 (2.27337e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.048737805857724 (1.67861e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.048737790475252 (1.46676e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 1.048737774176588 (1.55412e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 1.048737760567202 (1.29769e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.04873775188753 (8.2763e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 1.048737748311007 (3.41031e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.048737746988585 (1.26097e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04873774641459 (5.4732e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.048737746162668 (2.40215e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.048737746020623 (1.35444e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 1.048737745965866 (5.22115e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.048737745951454 (1.37423e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 1.048737745947921 (3.36877e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.048737745947218 (6.70535e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 elapsed time for k point: 0.24004697799682617 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043730320367076 (0.402906% change) linmin: converged after 4 iterations. iteration 2: trace = 1.042615065363816 (0.10691% change) linmin: converged after 4 iterations. iteration 3: trace = 1.042310395155777 (0.029226% change) linmin: converged after 4 iterations. iteration 4: trace = 1.042172278533015 (0.0132519% change) linmin: converged after 4 iterations. iteration 5: trace = 1.042115497545387 (0.00544848% change) linmin: converged after 4 iterations. iteration 6: trace = 1.042085473330465 (0.00288112% change) linmin: converged after 4 iterations. iteration 7: trace = 1.042070524368616 (0.00143453% change) linmin: converged after 4 iterations. iteration 8: trace = 1.042066548612395 (0.000381525% change) linmin: converged after 4 iterations. iteration 9: trace = 1.04206288704744 (0.000351376% change) linmin: converged after 5 iterations. iteration 10: trace = 1.042059736967639 (0.000302293% change) linmin: converged after 4 iterations. iteration 11: trace = 1.042056939339058 (0.000268471% change) linmin: converged after 5 iterations. iteration 12: trace = 1.042055775662505 (0.000111671% change) linmin: converged after 5 iterations. iteration 13: trace = 1.042055457699164 (3.05131e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.042055355980333 (9.76136e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.042055322293884 (3.23269e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.04205530254784 (1.89491e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.042055285398356 (1.64574e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.042055265630027 (1.89705e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.042055241138577 (2.3503e-06% change) linmin: converged after 24 iterations. iteration 20: trace = 1.042055220583108 (1.97259e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.042055207018138 (1.30175e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 1.042055201090034 (5.68886e-07% change) linmin: converged after 28 iterations. iteration 23: trace = 1.042055199094496 (1.915e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04205519837725 (6.88299e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.042055198125168 (2.41909e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.042055197991547 (1.28228e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.042055197924895 (6.39625e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.04205519790092 (2.30075e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 1.042055197891545 (8.99638e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.042055197887335 (4.04006e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.042055197884501 (2.71937e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.04205519788275 (1.6808e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 1.042055197882125 (5.9919e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 elapsed time for k point: 0.34923291206359863 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.040583967142476 (0.367529% change) linmin: converged after 4 iterations. iteration 2: trace = 1.039722865444434 (0.082786% change) linmin: converged after 4 iterations. iteration 3: trace = 1.03950165624003 (0.021278% change) linmin: converged after 4 iterations. iteration 4: trace = 1.039430647296617 (0.00683129% change) linmin: converged after 4 iterations. iteration 5: trace = 1.039402550983523 (0.00270308% change) linmin: converged after 5 iterations. iteration 6: trace = 1.039389236782683 (0.00128096% change) linmin: converged after 4 iterations. iteration 7: trace = 1.039377840080219 (0.00109649% change) linmin: converged after 4 iterations. iteration 8: trace = 1.039372508607764 (0.00051295% change) linmin: converged after 4 iterations. iteration 9: trace = 1.039365669584023 (0.000657998% change) linmin: converged after 5 iterations. iteration 10: trace = 1.039358797682128 (0.000661165% change) linmin: converged after 4 iterations. iteration 11: trace = 1.039351522033653 (0.000700016% change) linmin: converged after 5 iterations. iteration 12: trace = 1.039347743030244 (0.000363593% change) linmin: converged after 4 iterations. iteration 13: trace = 1.039346603568429 (0.000109632% change) linmin: converged after 5 iterations. iteration 14: trace = 1.039346252826974 (3.37463e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.039346151663282 (9.7334e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.039346101166326 (4.85853e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.039346056762944 (4.27224e-06% change) linmin: converged after 31 iterations. iteration 18: trace = 1.039346002477097 (5.22308e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.039345931774661 (6.80259e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.039345863606865 (6.55872e-06% change) linmin: converged after 14 iterations. iteration 21: trace = 1.039345797360606 (6.37384e-06% change) linmin: converged after 21 iterations. iteration 22: trace = 1.039345749422763 (4.61231e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 1.039345724079952 (2.43834e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 1.039345709972818 (1.35731e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 1.039345701605029 (8.05102e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.039345695151119 (6.20959e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.039345691963401 (3.06704e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.039345690769051 (1.14914e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.039345690283833 (4.6685e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.039345690103328 (1.73671e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.039345690033778 (6.69177e-09% change) linmin: converged after 2 iterations. iteration 32: trace = 1.039345690011562 (2.13744e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.039345690005514 (5.81888e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 1.039345690002439 (2.95911e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.039345689999085 (3.2268e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 1.039345689993938 (4.95258e-10% change) linmin: converged after 15 iterations. iteration 37: trace = 1.039345689988247 (5.47556e-10% change) linmin: converged after 5 iterations. iteration 38: trace = 1.039345689985424 (2.71578e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.039345689984557 (8.34473e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 elapsed time for k point: 0.31427764892578125 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.042607161720726 (0.34652% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041876242539784 (0.0701295% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041689793083082 (0.0178971% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041641147667703 (0.00466997% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041621655682537 (0.00187129% change) linmin: converged after 5 iterations. iteration 6: trace = 1.041610029145236 (0.0011162% change) large trace change predicted (0.0025014%) linmin: converged after 6 iterations. iteration 7: trace = 1.041583957214329 (0.00250307% change) linmin: converged after 7 iterations. iteration 8: trace = 1.041547309522134 (0.00351852% change) large trace change predicted (0.00868818%) linmin: converged after 4 iterations. iteration 9: trace = 1.041457030683444 (0.00866814% change) linmin: converged after 5 iterations. iteration 10: trace = 1.041334060955939 (0.0118082% change) linmin: converged after 5 iterations. iteration 11: trace = 1.041164698683955 (0.0162653% change) linmin: converged after 4 iterations. iteration 12: trace = 1.041009772944854 (0.0148811% change) linmin: converged after 4 iterations. iteration 13: trace = 1.040930951209935 (0.00757195% change) linmin: converged after 3 iterations. iteration 14: trace = 1.040898073108036 (0.00315858% change) linmin: converged after 3 iterations. iteration 15: trace = 1.040888096987886 (0.000958419% change) linmin: converged after 3 iterations. iteration 16: trace = 1.040884173753795 (0.000376913% change) linmin: converged after 3 iterations. iteration 17: trace = 1.040881857294983 (0.000222547% change) linmin: converged after 4 iterations. iteration 18: trace = 1.040880129419306 (0.000166001% change) linmin: converged after 6 iterations. iteration 19: trace = 1.040878846929652 (0.000123212% change) linmin: converged after 6 iterations. iteration 20: trace = 1.040878282104791 (5.42642e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.040878051081422 (2.2195e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 1.040877952535579 (9.46757e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.040877913823631 (3.71916e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.040877896748253 (1.64048e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.04087788840269 (8.01781e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.040877879210204 (8.83147e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.040877861806173 (1.67205e-06% change) linmin: converged after 17 iterations. iteration 28: trace = 1.040877831116783 (2.94841e-06% change) linmin: converged after 9 iterations. iteration 29: trace = 1.040877780705241 (4.84318e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 1.040877720799236 (5.75534e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.040877666373354 (5.22885e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.040877636834854 (2.83785e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 1.040877628021553 (8.46718e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.040877624968494 (2.93316e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.04087762344881 (1.46e-07% change) linmin: converged after 2 iterations. iteration 36: trace = 1.040877622408118 (9.99822e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.040877621570122 (8.05085e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.040877621105957 (4.45937e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 1.040877620899647 (1.98207e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 1.040877620810261 (8.58759e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 1.04087762076838 (4.0236e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 1.040877620742673 (2.46976e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 1.040877620722479 (1.94012e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 1.040877620697877 (2.36357e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 1.040877620655518 (4.0695e-09% change) large trace change predicted (8.31677e-09%) linmin: converged after 5 iterations. iteration 46: trace = 1.04087762056895 (8.3169e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 1.040877620412684 (1.50129e-08% change) linmin: converged after 6 iterations. iteration 48: trace = 1.040877620260937 (1.45787e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 1.040877620187645 (7.04135e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 1.040877620163346 (2.33449e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.040877620156023 (7.03523e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 1.040877620153321 (2.59616e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 1.040877620151859 (1.40389e-10% change) linmin: converged after 6 iterations. iteration 54: trace = 1.040877620150959 (8.65244e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 Felapsed time for k point: 0.5036649703979492 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905434 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080591 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729864 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254649 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.44355516512198084 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898843 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148895 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926983 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967658014080591) to band 3 (0.44237076681729864), 10.869497799550526% total elapsed time for run: 18.088467121124268 done /tmp/meepuUBjUW/test_diamond-0: 18.11s /tmp/meepuUBjUW/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) read in 32x32x1 epsilon-input-file "/build/reproducible-path/meep-1.25.0/python/tests/data/eps_input_file_test.h5" Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0021543502807617188 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 14 iterations. iteration 1: trace = 15.01049802134615 (194.322% change) linmin: converged after 11 iterations. iteration 2: trace = 6.706692165729402 (76.4722% change) linmin: converged after 7 iterations. iteration 3: trace = 5.931553794724423 (12.2665% change) linmin: converged after 6 iterations. iteration 4: trace = 5.66263534197199 (4.63885% change) linmin: converged after 5 iterations. iteration 5: trace = 5.52737228970616 (2.41757% change) linmin: converged after 7 iterations. iteration 6: trace = 5.47481726468407 (0.955356% change) linmin: converged after 5 iterations. iteration 7: trace = 5.45264771076122 (0.405758% change) linmin: converged after 5 iterations. iteration 8: trace = 5.443329006331453 (0.171049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.437411735012713 (0.108766% change) linmin: converged after 5 iterations. iteration 10: trace = 5.434223793409262 (0.058647% change) linmin: converged after 5 iterations. iteration 11: trace = 5.432629201927889 (0.0293478% change) linmin: converged after 5 iterations. iteration 12: trace = 5.431266964497161 (0.0250782% change) linmin: converged after 4 iterations. iteration 13: trace = 5.430129964014599 (0.0209365% change) linmin: converged after 5 iterations. iteration 14: trace = 5.428352252894501 (0.0327433% change) linmin: converged after 5 iterations. iteration 15: trace = 5.425410096349268 (0.0542145% change) linmin: converged after 5 iterations. iteration 16: trace = 5.421476783206287 (0.0725243% change) linmin: converged after 4 iterations. iteration 17: trace = 5.418133499341883 (0.0616864% change) linmin: converged after 4 iterations. iteration 18: trace = 5.416179004384954 (0.0360797% change) linmin: converged after 4 iterations. iteration 19: trace = 5.415183619213011 (0.0183797% change) linmin: converged after 3 iterations. iteration 20: trace = 5.414790413232867 (0.00726144% change) linmin: converged after 3 iterations. iteration 21: trace = 5.414658533289126 (0.00243558% change) linmin: converged after 4 iterations. iteration 22: trace = 5.414605098261726 (0.000986864% change) linmin: converged after 3 iterations. iteration 23: trace = 5.41457978258746 (0.000467545% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414557159787791 (0.000417814% change) linmin: converged after 4 iterations. iteration 25: trace = 5.414537709366753 (0.000359225% change) linmin: converged after 4 iterations. iteration 26: trace = 5.414526431428378 (0.00020829% change) linmin: converged after 4 iterations. iteration 27: trace = 5.41451605909779 (0.000191565% change) linmin: converged after 4 iterations. iteration 28: trace = 5.414506000595718 (0.000185769% change) linmin: converged after 5 iterations. iteration 29: trace = 5.41449557958566 (0.000192465% change) linmin: converged after 5 iterations. iteration 30: trace = 5.41448635782213 (0.000170316% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414478585160106 (0.000143553% change) linmin: converged after 5 iterations. iteration 32: trace = 5.414473688675684 (9.04332e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414471810062541 (3.46961e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414471116517078 (1.28091e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 5.414470893896504 (4.11158e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 5.414470830684592 (1.16746e-06% change) linmin: converged after 3 iterations. iteration 37: trace = 5.414470802007637 (5.29635e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 5.414470781361689 (3.81311e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 5.414470762077194 (3.56166e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 5.414470741386276 (3.82141e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 5.414470722667651 (3.45715e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 5.414470706127513 (3.0548e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 5.414470693366219 (2.35689e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 5.414470683200175 (1.87757e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 5.414470674912629 (1.53063e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 5.414470669970523 (9.12759e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 5.414470667695273 (4.20217e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 5.414470666815693 (1.6245e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 5.414470666454864 (6.66415e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 5.414470666309406 (2.68647e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 5.414470666257172 (9.64723e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.414470666225634 (5.82466e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 5.414470666199085 (4.90342e-10% change) linmin: converged after 5 iterations. iteration 54: trace = 5.414470666173619 (4.70329e-10% change) linmin: converged after 6 iterations. iteration 55: trace = 5.414470666149859 (4.38818e-10% change) linmin: converged after 3 iterations. iteration 56: trace = 5.414470666128734 (3.90164e-10% change) linmin: converged after 3 iterations. iteration 57: trace = 5.414470666110477 (3.37196e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 5.414470666093905 (3.06062e-10% change) linmin: converged after 2 iterations. iteration 59: trace = 5.41447066608077 (2.42596e-10% change) linmin: converged after 4 iterations. iteration 60: trace = 5.41447066607217 (1.58821e-10% change) linmin: converged after 2 iterations. iteration 61: trace = 5.414470666068269 (7.20619e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 elapsed time for k point: 0.37282347679138184 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.414034200818929 (0.770067% change) linmin: converged after 5 iterations. iteration 2: trace = 5.394129086431263 (0.368335% change) linmin: converged after 4 iterations. iteration 3: trace = 5.387838054235908 (0.116695% change) linmin: converged after 5 iterations. iteration 4: trace = 5.38573302126024 (0.0390777% change) linmin: converged after 4 iterations. iteration 5: trace = 5.385123764190084 (0.0113131% change) linmin: converged after 3 iterations. iteration 6: trace = 5.384850308348899 (0.00507812% change) linmin: converged after 5 iterations. iteration 7: trace = 5.384742385265687 (0.00200422% change) linmin: converged after 4 iterations. iteration 8: trace = 5.384707331033515 (0.000650994% change) linmin: converged after 4 iterations. iteration 9: trace = 5.384697125432801 (0.00018953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.384694738826758 (4.4322e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.384693738418337 (1.85787e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.384693341474321 (7.37171e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.384693264290627 (1.43339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.384693236314638 (5.19547e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.384693227539163 (1.62971e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.38469322265734 (9.06611e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.384693220298983 (4.37974e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.384693219444982 (1.58598e-08% change) linmin: converged after 17 iterations. iteration 19: trace = 5.384693219150675 (5.46562e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.384693219100485 (9.32088e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.384693219085565 (2.77075e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.384693219081496 (7.55613e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 elapsed time for k point: 0.16978740692138672 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.35566270802623 (0.460045% change) linmin: converged after 4 iterations. iteration 2: trace = 5.347222135070107 (0.157725% change) linmin: converged after 3 iterations. iteration 3: trace = 5.345410979037556 (0.0338767% change) linmin: converged after 3 iterations. iteration 4: trace = 5.344984997322681 (0.00796943% change) linmin: converged after 3 iterations. iteration 5: trace = 5.34487907677925 (0.0019817% change) linmin: converged after 9 iterations. iteration 6: trace = 5.344849146440742 (0.000559983% change) linmin: converged after 19 iterations. iteration 7: trace = 5.34483511527354 (0.000262518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.344829856084553 (9.83976e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 5.344828194804125 (3.1082e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.344827781913664 (7.72505e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.344827673972557 (2.01954e-06% change) linmin: converged after 21 iterations. iteration 12: trace = 5.344827628371221 (8.53186e-07% change) linmin: converged after 7 iterations. iteration 13: trace = 5.344827617785631 (1.98053e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.34482761452396 (6.10248e-08% change) linmin: converged after 29 iterations. iteration 15: trace = 5.344827613901648 (1.16433e-08% change) linmin: converged after 21 iterations. iteration 16: trace = 5.344827613761418 (2.62366e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.344827613731027 (5.68602e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.344827613719941 (2.0742e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.344827613715934 (7.49783e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 elapsed time for k point: 0.14855027198791504 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.340457320228623 (0.319238% change) linmin: converged after 4 iterations. iteration 2: trace = 5.334738355255368 (0.107145% change) linmin: converged after 3 iterations. iteration 3: trace = 5.333227635064889 (0.0283226% change) linmin: converged after 3 iterations. iteration 4: trace = 5.332794678919415 (0.00811842% change) linmin: converged after 4 iterations. iteration 5: trace = 5.332637699662876 (0.0029437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.332576391911257 (0.00114968% change) linmin: converged after 4 iterations. iteration 7: trace = 5.332547153504841 (0.000548299% change) linmin: converged after 3 iterations. iteration 8: trace = 5.332540332683702 (0.000127909% change) linmin: converged after 3 iterations. iteration 9: trace = 5.332539070811759 (2.36636e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.33253886203948 (3.91506e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.332538810551382 (9.65546e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 5.33253879005739 (3.8432e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.332538782348803 (1.44558e-07% change) linmin: converged after 10 iterations. iteration 14: trace = 5.332538778533806 (7.15419e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.332538777162949 (2.57074e-08% change) linmin: converged after 6 iterations. iteration 16: trace = 5.332538776747995 (7.78154e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.332538776643066 (1.96772e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.332538776603643 (7.39286e-10% change) linmin: converged after 10 iterations. iteration 19: trace = 5.332538776587452 (3.03636e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.332538776581439 (1.1276e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.332538776580063 (2.57999e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 elapsed time for k point: 0.15820097923278809 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.363396432905374 (0.284485% change) linmin: converged after 4 iterations. iteration 2: trace = 5.356814965977621 (0.122786% change) linmin: converged after 4 iterations. iteration 3: trace = 5.354076997915648 (0.0511249% change) linmin: converged after 4 iterations. iteration 4: trace = 5.352894701732656 (0.0220846% change) linmin: converged after 4 iterations. iteration 5: trace = 5.35244060041008 (0.00848365% change) linmin: converged after 4 iterations. iteration 6: trace = 5.352259473036305 (0.00338407% change) linmin: converged after 3 iterations. iteration 7: trace = 5.352189105551878 (0.00131473% change) linmin: converged after 4 iterations. iteration 8: trace = 5.352168902977461 (0.000377464% change) linmin: converged after 4 iterations. iteration 9: trace = 5.352160538189612 (0.000156288% change) linmin: converged after 4 iterations. iteration 10: trace = 5.352156103699549 (8.28542e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.352153672779482 (4.54195e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.352152330741616 (2.50747e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.352151885750048 (8.31425e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.352151731938056 (2.87383e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.352151681468188 (9.42983e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.35215166667883 (2.76325e-07% change) linmin: converged after 7 iterations. iteration 17: trace = 5.352151661664977 (9.36792e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.352151659840975 (3.40798e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.352151659337842 (9.40057e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.352151659154266 (3.42994e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.352151659081804 (1.35389e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.352151659049174 (6.09659e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.352151659038404 (2.01245e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.352151659035269 (5.8563e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 elapsed time for k point: 0.18489480018615723 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.408014214229959 (0.323637% change) linmin: converged after 5 iterations. iteration 2: trace = 5.395953624985706 (0.223262% change) linmin: converged after 5 iterations. iteration 3: trace = 5.388192869996253 (0.143929% change) linmin: converged after 5 iterations. iteration 4: trace = 5.383948420765395 (0.0788042% change) linmin: converged after 4 iterations. iteration 5: trace = 5.382101128031257 (0.034317% change) linmin: converged after 4 iterations. iteration 6: trace = 5.380826833882425 (0.0236793% change) linmin: converged after 4 iterations. iteration 7: trace = 5.379816112031413 (0.0187855% change) linmin: converged after 5 iterations. iteration 8: trace = 5.37889937435071 (0.0170418% change) linmin: converged after 4 iterations. iteration 9: trace = 5.378431618794505 (0.0086965% change) linmin: converged after 4 iterations. iteration 10: trace = 5.37828958778363 (0.00264079% change) linmin: converged after 4 iterations. iteration 11: trace = 5.378238168343272 (0.00095606% change) linmin: converged after 4 iterations. iteration 12: trace = 5.378217538790497 (0.000383575% change) linmin: converged after 4 iterations. iteration 13: trace = 5.378209482090194 (0.000149803% change) linmin: converged after 6 iterations. iteration 14: trace = 5.378206573501588 (5.4081e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 5.378205626014852 (1.76172e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 5.378205300789663 (6.04709e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.378205138261713 (3.02197e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.378205064148518 (1.37803e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 5.378205024912397 (7.29539e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 5.37820500815002 (3.11672e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.378205002382009 (1.07248e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.378204997047543 (9.91867e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.378204992784513 (7.92649e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 5.378204989224101 (6.62008e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 5.378204987266803 (3.63932e-08% change) linmin: converged after 24 iterations. iteration 26: trace = 5.37820498656018 (1.31386e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.378204986365549 (3.61887e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 5.378204986298534 (1.24606e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.378204986252792 (8.50508e-10% change) linmin: converged after 7 iterations. iteration 30: trace = 5.378204986222929 (5.55247e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.378204986206846 (2.99043e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.378204986199396 (1.38523e-10% change) linmin: converged after 11 iterations. iteration 33: trace = 5.378204986194199 (9.66258e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222 elapsed time for k point: 0.24063944816589355 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.330842291784633 (1.63265% change) linmin: converged after 5 iterations. iteration 2: trace = 5.294046123341276 (0.692641% change) linmin: converged after 4 iterations. iteration 3: trace = 5.284981234196242 (0.171375% change) linmin: converged after 4 iterations. iteration 4: trace = 5.282498119419701 (0.0469954% change) linmin: converged after 4 iterations. iteration 5: trace = 5.281616824738639 (0.0166847% change) linmin: converged after 4 iterations. iteration 6: trace = 5.281190026018594 (0.00808116% change) linmin: converged after 4 iterations. iteration 7: trace = 5.281060361590569 (0.00245524% change) linmin: converged after 4 iterations. iteration 8: trace = 5.281017317052751 (0.000815077% change) linmin: converged after 4 iterations. iteration 9: trace = 5.281001279428567 (0.000303685% change) linmin: converged after 3 iterations. iteration 10: trace = 5.280995051890289 (0.000117924% change) linmin: converged after 10 iterations. iteration 11: trace = 5.280992817488505 (4.23103e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.280991955892316 (1.6315e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.280991779814334 (3.33418e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.280991731376507 (9.17211e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.280991719857134 (2.18129e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.280991716887277 (5.62367e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.280991715662335 (2.31953e-08% change) linmin: converged after 23 iterations. iteration 18: trace = 5.280991715170661 (9.31026e-09% change) linmin: converged after 22 iterations. iteration 19: trace = 5.280991714932148 (4.51643e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.280991714863477 (1.30035e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.280991714843207 (3.8383e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 5.280991714835504 (1.45866e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.280991714829537 (1.12986e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.280991714822687 (1.29704e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.28099171481807 (8.74389e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 elapsed time for k point: 0.1914501190185547 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.134764281906492 (0.624371% change) linmin: converged after 5 iterations. iteration 2: trace = 5.124408367543085 (0.201886% change) linmin: converged after 4 iterations. iteration 3: trace = 5.12235773185049 (0.040025% change) linmin: converged after 3 iterations. iteration 4: trace = 5.12174424238861 (0.0119774% change) linmin: converged after 4 iterations. iteration 5: trace = 5.121558726682936 (0.00362219% change) linmin: converged after 4 iterations. iteration 6: trace = 5.121477742069775 (0.00158126% change) linmin: converged after 4 iterations. iteration 7: trace = 5.12144790474088 (0.000582594% change) linmin: converged after 4 iterations. iteration 8: trace = 5.121439718676669 (0.000159839% change) linmin: converged after 4 iterations. iteration 9: trace = 5.121437287250297 (4.74755e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.121436809310323 (9.33215e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.121436715075807 (1.84e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.121436685510688 (5.77282e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.121436680112647 (1.05401e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.121436678590913 (2.9713e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.121436678180303 (8.01748e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.121436678101739 (1.53402e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.121436678082406 (3.77491e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.121436678073879 (1.66504e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.121436678060035 (2.70315e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 5.121436678042874 (3.35072e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.121436678033494 (1.83153e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.121436678029978 (6.86584e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532 elapsed time for k point: 0.16504311561584473 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.994388823457364 (0.316337% change) linmin: converged after 4 iterations. iteration 2: trace = 4.990236163392892 (0.0831811% change) linmin: converged after 4 iterations. iteration 3: trace = 4.989513812263473 (0.0144763% change) linmin: converged after 5 iterations. iteration 4: trace = 4.989343647120124 (0.00341051% change) linmin: converged after 4 iterations. iteration 5: trace = 4.989291241669541 (0.00105035% change) linmin: converged after 4 iterations. iteration 6: trace = 4.989274244813457 (0.000340667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.989267787671144 (0.000129421% change) linmin: converged after 5 iterations. iteration 8: trace = 4.98926609792218 (3.38677e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.989265604082192 (9.89805e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.989265515601321 (1.77342e-06% change) linmin: converged after 22 iterations. iteration 11: trace = 4.989265501206935 (2.88507e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.989265496708835 (9.01555e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.98926549570401 (2.01397e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.989265495448889 (5.1134e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.989265495393171 (1.11674e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.989265495383629 (1.91262e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.989265495381122 (5.02544e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 elapsed time for k point: 0.12507939338684082 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.909138536841025 (0.232394% change) linmin: converged after 4 iterations. iteration 2: trace = 4.906563118930467 (0.0524755% change) linmin: converged after 4 iterations. iteration 3: trace = 4.906119641576844 (0.00903886% change) linmin: converged after 3 iterations. iteration 4: trace = 4.906037816819474 (0.00166782% change) linmin: converged after 3 iterations. iteration 5: trace = 4.906013084888643 (0.000504113% change) linmin: converged after 10 iterations. iteration 6: trace = 4.906007389591607 (0.000116088% change) linmin: converged after 8 iterations. iteration 7: trace = 4.906005834953523 (3.16885e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.90600540669845 (8.7292e-06% change) linmin: converged after 9 iterations. iteration 9: trace = 4.906005254385182 (3.10463e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.906005216417475 (7.73903e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.906005209418547 (1.4266e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.906005206803108 (5.3311e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.906005206252122 (1.12309e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.906005206142122 (2.24213e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.906005206125057 (3.47848e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.906005206120695 (8.89083e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708 elapsed time for k point: 0.13010001182556152 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.880387825183426 (0.204402% change) linmin: converged after 4 iterations. iteration 2: trace = 4.878237626562295 (0.0440677% change) linmin: converged after 4 iterations. iteration 3: trace = 4.877861752868415 (0.00770541% change) linmin: converged after 4 iterations. iteration 4: trace = 4.87779955496193 (0.00127511% change) linmin: converged after 2 iterations. iteration 5: trace = 4.877780932667065 (0.000381777% change) linmin: converged after 4 iterations. iteration 6: trace = 4.877777338735272 (7.36797e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.877776722798983 (1.26274e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.877776610093846 (2.31058e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.877776584075415 (5.33408e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.877776575591743 (1.73925e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.877776573289267 (4.72034e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.877776572070435 (2.49874e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.877776571775751 (6.04136e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 4.877776571718369 (1.17639e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.877776571708921 (1.93704e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.877776571705265 (7.49469e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735 elapsed time for k point: 0.17865777015686035 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.939234288026459 (0.398492% change) linmin: converged after 4 iterations. iteration 2: trace = 4.934705211880217 (0.091738% change) linmin: converged after 4 iterations. iteration 3: trace = 4.933808978362583 (0.0181635% change) linmin: converged after 4 iterations. iteration 4: trace = 4.933618724668674 (0.0038562% change) linmin: converged after 4 iterations. iteration 5: trace = 4.933561794539691 (0.00115393% change) linmin: converged after 6 iterations. iteration 6: trace = 4.933546467636372 (0.000310667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.933542429887031 (8.18428e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.933541498295165 (1.88828e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.933541269558869 (4.63635e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.933541218844876 (1.02794e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.933541212739488 (1.23753e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.933541210751458 (4.02962e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 4.9335412103081 (8.98661e-09% change) linmin: converged after 7 iterations. iteration 14: trace = 4.93354121023129 (1.55689e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.93354121021697 (2.9026e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 4.933541210214663 (4.67714e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665 elapsed time for k point: 0.19048333168029785 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.099507112162946 (0.487571% change) linmin: converged after 5 iterations. iteration 2: trace = 5.090581721310536 (0.175178% change) linmin: converged after 4 iterations. iteration 3: trace = 5.088071827630135 (0.0493168% change) linmin: converged after 4 iterations. iteration 4: trace = 5.087225562912054 (0.0166337% change) linmin: converged after 4 iterations. iteration 5: trace = 5.086961938952485 (0.00518221% change) linmin: converged after 4 iterations. iteration 6: trace = 5.086853665324287 (0.00212848% change) linmin: converged after 4 iterations. iteration 7: trace = 5.086807094856582 (0.000915511% change) linmin: converged after 3 iterations. iteration 8: trace = 5.086793518222227 (0.000266899% change) linmin: converged after 3 iterations. iteration 9: trace = 5.086790021445181 (6.87423e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.08678920338145 (1.60821e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.086789045520231 (3.10336e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.086788991806464 (1.05595e-06% change) linmin: converged after 21 iterations. iteration 13: trace = 5.086788981872507 (1.95289e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.086788979939779 (3.79951e-08% change) linmin: converged after 12 iterations. iteration 15: trace = 5.086788979425322 (1.01136e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.086788979343622 (1.60614e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.086788979319492 (4.74349e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.086788979306892 (2.47712e-10% change) linmin: converged after 8 iterations. iteration 19: trace = 5.086788979301441 (1.07155e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.086788979299679 (3.46416e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247 elapsed time for k point: 0.23598074913024902 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.309330906730185 (0.847184% change) linmin: converged after 5 iterations. iteration 2: trace = 5.280371277324416 (0.546939% change) linmin: converged after 4 iterations. iteration 3: trace = 5.269934727134918 (0.197844% change) linmin: converged after 4 iterations. iteration 4: trace = 5.265762219365082 (0.0792071% change) linmin: converged after 4 iterations. iteration 5: trace = 5.264459973518648 (0.0247335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.263804604149918 (0.0124497% change) linmin: converged after 3 iterations. iteration 7: trace = 5.263469633537593 (0.00636386% change) linmin: converged after 3 iterations. iteration 8: trace = 5.26332510873088 (0.00274585% change) linmin: converged after 5 iterations. iteration 9: trace = 5.263272539866877 (0.000998782% change) linmin: converged after 3 iterations. iteration 10: trace = 5.263261122021764 (0.000216935% change) linmin: converged after 3 iterations. iteration 11: trace = 5.263257754583083 (6.39801e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.263256795625345 (1.82199e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.263256607031204 (3.58322e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.263256551248045 (1.05986e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.263256530468793 (3.94798e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.263256521693534 (1.66727e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.263256515340482 (1.20706e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.263256513415704 (3.65701e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 5.263256512765325 (1.2357e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.26325651252615 (4.54425e-09% change) linmin: converged after 22 iterations. iteration 21: trace = 5.26325651238184 (2.74183e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.263256512320006 (1.17483e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 5.263256512296805 (4.40811e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.263256512290631 (1.17299e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.263256512288837 (3.40876e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602 elapsed time for k point: 0.2993917465209961 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.410850204125079 (1.34359% change) linmin: converged after 5 iterations. iteration 2: trace = 5.374437224940516 (0.675234% change) linmin: converged after 4 iterations. iteration 3: trace = 5.366093703686881 (0.155365% change) linmin: converged after 4 iterations. iteration 4: trace = 5.363891157761086 (0.041054% change) linmin: converged after 3 iterations. iteration 5: trace = 5.363304623244995 (0.0109355% change) linmin: converged after 3 iterations. iteration 6: trace = 5.363093120245416 (0.0039436% change) linmin: converged after 3 iterations. iteration 7: trace = 5.363009973967477 (0.00155035% change) linmin: converged after 5 iterations. iteration 8: trace = 5.362962308859946 (0.000888779% change) linmin: converged after 4 iterations. iteration 9: trace = 5.36292814899808 (0.000636961% change) linmin: converged after 4 iterations. iteration 10: trace = 5.362908167195258 (0.000372592% change) linmin: converged after 5 iterations. iteration 11: trace = 5.36289744556306 (0.000199922% change) linmin: converged after 14 iterations. iteration 12: trace = 5.362890832294543 (0.000123315% change) linmin: converged after 8 iterations. iteration 13: trace = 5.362888873060136 (3.65332e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.362888159902967 (1.3298e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.362887935137225 (4.19113e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.362887877004606 (1.08398e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.362887858604021 (3.4311e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 5.362887851988768 (1.23352e-07% change) linmin: converged after 7 iterations. iteration 19: trace = 5.362887849877557 (3.93671e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.362887849213481 (1.23828e-08% change) linmin: converged after 18 iterations. iteration 21: trace = 5.362887849013017 (3.73798e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.362887848952664 (1.12538e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.362887848922157 (5.68857e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.362887848904121 (3.36316e-10% change) linmin: converged after 23 iterations. iteration 25: trace = 5.362887848892485 (2.16973e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.3628878488858 (1.24659e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.362887848881172 (8.62858e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311 elapsed time for k point: 0.32256460189819336 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.461006864438431 (1.06365% change) linmin: converged after 5 iterations. iteration 2: trace = 5.43287145074271 (0.516536% change) linmin: converged after 5 iterations. iteration 3: trace = 5.422688497820124 (0.187608% change) linmin: converged after 5 iterations. iteration 4: trace = 5.417696175353642 (0.092106% change) linmin: converged after 3 iterations. iteration 5: trace = 5.416105680944066 (0.0293617% change) linmin: converged after 4 iterations. iteration 6: trace = 5.415171295312798 (0.0172535% change) linmin: converged after 4 iterations. iteration 7: trace = 5.414783176172479 (0.00716751% change) linmin: converged after 4 iterations. iteration 8: trace = 5.414648244036304 (0.00249195% change) linmin: converged after 4 iterations. iteration 9: trace = 5.414594483994404 (0.000992868% change) linmin: converged after 4 iterations. iteration 10: trace = 5.414576265048869 (0.000336479% change) linmin: converged after 4 iterations. iteration 11: trace = 5.414564861067752 (0.000210617% change) linmin: converged after 5 iterations. iteration 12: trace = 5.414555419969368 (0.000174365% change) linmin: converged after 22 iterations. iteration 13: trace = 5.414537376508164 (0.00033324% change) large trace change predicted (0.000679766%) linmin: converged after 5 iterations. iteration 14: trace = 5.41450055299978 (0.000680088% change) linmin: converged after 6 iterations. iteration 15: trace = 5.414478702493852 (0.000403556% change) linmin: converged after 4 iterations. iteration 16: trace = 5.414472728543198 (0.000110333% change) linmin: converged after 4 iterations. iteration 17: trace = 5.414471330541875 (2.58197e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 5.414470844198777 (8.98228e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 5.414470719354939 (2.30574e-06% change) linmin: converged after 9 iterations. iteration 20: trace = 5.414470681314292 (7.02574e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.414470670480571 (2.00088e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.414470667611987 (5.298e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414470666661462 (1.75553e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414470666362716 (5.51755e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.414470666267754 (1.75386e-09% change) linmin: converged after 5 iterations. iteration 26: trace = 5.414470666221952 (8.45911e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.414470666193717 (5.21476e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.414470666171711 (4.0642e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.414470666155404 (3.01174e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.414470666140545 (2.74435e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.414470666122156 (3.39624e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 5.414470666102801 (3.57471e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414470666086897 (2.93726e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.414470666075439 (2.11625e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 5.414470666069086 (1.17336e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 5.414470666066693 (4.41918e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 F.elapsed time for k point: 0.3546888828277588 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772992 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059654 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814894 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009817 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255618 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6689126424359764 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699239 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8170847453549143 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924542 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8826671164993851 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155063 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8832199143682118 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489807 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0660233597945281 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.087345829555554 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5781812856814894) to band 3 (0.5781815082009817), 3.848610374769843e-05% Gap from band 4 (0.8051999839699239) to band 5 (0.8170847453549143), 1.4651880980149015% Gap from band 7 (1.0580309832489807) to band 8 (1.0660233597945281), 0.7525585747580559% total elapsed time for run: 3.4716596603393555 done /tmp/meepuUBjUW/test_epsilon_input_file-0: 3.47s /tmp/meepuUBjUW/test_first_brillouin_zone-0 ======================== /tmp/meepuUBjUW/test_first_brillouin_zone-0: 0.28s /tmp/meepuUBjUW/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 4 x 4 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.1, 0, 0) (0, 0.1, 0) (0, 0, 1) Cell volume = 0.01 Reciprocal lattice vectors (/ 2 pi): (10, -0, 0) (-0, 10, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 9 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0002040863037109375 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... linmin: converged after 9 iterations. iteration 1: trace = 94.48114237152929 (61.751% change) linmin: converged after 7 iterations. iteration 2: trace = 83.8504910917422 (11.9223% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 55.7692%) iteration 3: trace = 83.3461110942816 (0.603338% change) iteration 4: trace = 83.3335997859713 (0.0150124% change) iteration 5: trace = 83.33333949085052 (0.000312354% change) iteration 6: trace = 83.33333352466033 (7.15943e-06% change) iteration 7: trace = 83.33333333657092 (2.25707e-07% change) iteration 8: trace = 83.33333333338274 (3.82581e-09% change) iteration 9: trace = 83.33333333333437 (5.80485e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 elapsed time for k point: 0.01307821273803711 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. iteration 1: trace = 82.33333333334654 (0.722248% change) linmin: converged after 2 iterations. iteration 2: trace = 82.33333333333381 (1.54651e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 elapsed time for k point: 0.0006239414215087891 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82.66666666666671 (5.67288e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 elapsed time for k point: 0.0001595020294189453 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (3.37016e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 elapsed time for k point: 0.00015473365783691406 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 55.2632%) iteration 1: trace = 87.33333333333333 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 elapsed time for k point: 0.00017905235290527344 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.66666666666669 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 elapsed time for k point: 0.00015020370483398438 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 8 iterations. switching to approximate line minimization (decrease time by 65.8537%) iteration 1: trace = 90.66666666676359 (3.571% change) iteration 2: trace = 90.66666762987174 (1.06225e-06% change) iteration 3: trace = 90.66666666666723 (1.06236e-06% change) iteration 4: trace = 90.66666666666674 (5.32907e-13% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 elapsed time for k point: 0.0003154277801513672 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.00000000000001 (7.80816e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 elapsed time for k point: 0.00015497207641601562 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 92.66666666666667 (1.53355e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 elapsed time for k point: 0.0001723766326904297 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 46 iterations. iteration 1: trace = 95.66666666666666 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 elapsed time for k point: 0.00038242340087890625 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 58.3333%) iteration 1: trace = 100 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435 elapsed time for k point: 0.00017905235290527344 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 elapsed time for k point: 0.00015211105346679688 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 46 iterations. iteration 1: trace = 85.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 elapsed time for k point: 0.0003895759582519531 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 elapsed time for k point: 0.0001742839813232422 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 40 iterations. iteration 1: trace = 81.33333333333334 (1.74724e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 elapsed time for k point: 0.0003552436828613281 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 33 iterations. iteration 1: trace = 83.33333333333334 (0% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 .elapsed time for k point: 0.0002694129943847656 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.041241452319313 at Vector3<0.5, 0.5, 0.0> Band 2 range: 1.443375672974069 at Vector3<0.5, 0.0, 0.0> to 2.886751345948136 at Vector3<0.0, 0.0, 0.0> Band 3 range: 2.041241452319315 at Vector3<0.5, 0.5, 0.0> to 3.227486121839512 at Vector3<0.5, 0.0, 0.0> Band 4 range: 2.041241452319317 at Vector3<0.5, 0.5, 0.0> to 3.265986323710903 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 2.8867513459481304 at Vector3<0.0, 0.0, 0.0> to 4.564354645876378 at Vector3<0.5, 0.5, 0.0> Band 6 range: 3.2274861218395166 at Vector3<0.5, 0.0, 0.0> to 4.564354645876382 at Vector3<0.5, 0.5, 0.0> Band 7 range: 3.696845502136475 at Vector3<0.2, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665331 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.017470598220825195 done /tmp/meepuUBjUW/test_fractional_lattice-0: 0.02s /tmp/meepuUBjUW/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013513565063476562 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.16882658004760742 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.7781944274902344 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.1632540225982666 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.2856314182281494 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.3345029354095459 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.5382211208343506 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.39524006843566895 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.3383498191833496 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.2814371585845947 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.22568178176879883 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19356918334960938 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.18575501441955566 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.3439502716064453 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.3371739387512207 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.33771467208862305 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.8224339485168457 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 5.732457399368286 done Fixing b-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 ./tmp/meepuUBjUW/test_get_bfield-0: 5.75s /tmp/meepuUBjUW/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013737678527832031 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.34311842918395996 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.143489122390747 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.28858399391174316 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.26154303550720215 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.31435203552246094 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.4834141731262207 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.3677845001220703 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.311234712600708 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.26131534576416016 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.26183533668518066 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.24979400634765625 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.20388507843017578 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.27055835723876953 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.408184289932251 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.47629761695861816 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6727073192596436 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 6.320634841918945 done Fixing d-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 8.66842 ./tmp/meepuUBjUW/test_get_dfield-0: 6.33s /tmp/meepuUBjUW/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013394355773925781 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2323920726776123 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.41986870765686035 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09664249420166016 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.10118722915649414 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09416747093200684 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.2830162048339844 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.25482892990112305 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.21255230903625488 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.1800541877746582 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1818993091583252 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.17765069007873535 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.14000964164733887 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.16163158416748047 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.11757588386535645 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.18662691116333008 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.48265552520751953 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 3.325226306915283 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 ./tmp/meepuUBjUW/test_get_efield-0: 3.33s /tmp/meepuUBjUW/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013575553894042969 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.28745245933532715 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 0.925589 + 0.37853i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 0.921393 + 0.388632i; max ampl. = 1.75894 Fixing h-field (band 6) phase by -0.798747 + 0.601666i; max ampl. = 3.7555 Fixing h-field (band 7) phase by -0.914893 + 0.403697i; max ampl. = 3.75555 Fixing h-field (band 8) phase by -0.0496898 + 0.998765i; max ampl. = 4.48388 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 5.581244026696292 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490351 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957673 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526859 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966758 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299268 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.56798196012209 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607941 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567469488484445 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806203 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766411 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393766 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003681 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969306 (5.15562e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.56740877689189 (2.19272e-06% change) linmin: converged after 14 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.56740870472469 (3.30164e-07% change) linmin: converged after 5 iterations. iteration 20: trace = 5.567408695925265 (1.58052e-07% change) linmin: converged after 18 iterations. iteration 21: trace = 5.567408689562832 (1.1428e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.567408680883109 (1.55902e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 5.567408666017922 (2.67004e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645087862 (3.75939e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 5.567408614757096 (5.44791e-07% change) large trace change predicted (2.01092e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502816416 (2.01064e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934835523604 (0.00850822% change) linmin: converged after 7 iterations. iteration 28: trace = 5.566934530343008 (5.48202e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.566934225147977 (5.48228e-06% change) linmin: converged after 8 iterations. iteration 30: trace = 5.566933920036067 (5.48079e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693361509334 (5.47775e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.56693331039379 (5.47338e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933006000246 (5.46789e-06% change) linmin: converged after 4 iterations. iteration 34: trace = 5.566932701965428 (5.46144e-06% change) linmin: converged after 8 iterations. iteration 35: trace = 5.566932398332735 (5.45422e-06% change) linmin: converged after 8 iterations. iteration 36: trace = 5.566932095137195 (5.44637e-06% change) linmin: converged after 8 iterations. iteration 37: trace = 5.566931792406258 (5.43802e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931490160487 (5.42931e-06% change) linmin: converged after 6 iterations. iteration 39: trace = 5.566931188414395 (5.42033e-06% change) linmin: converged after 7 iterations. iteration 40: trace = 5.566930887176978 (5.41119e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930586452395 (5.40198e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930286240471 (5.39277e-06% change) linmin: converged after 9 iterations. iteration 43: trace = 5.566929986537181 (5.38364e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929687335154 (5.37463e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692938862407 (5.36581e-06% change) linmin: converged after 11 iterations. iteration 46: trace = 5.566929090391031 (5.35723e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.56692879262083 (5.34891e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 5.566928495296353 (5.34091e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928198378974 (5.33359e-06% change) linmin: converged after 24 iterations. iteration 50: trace = 5.566927901887999 (5.32594e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927605763643 (5.31935e-06% change) linmin: converged after 12 iterations. iteration 52: trace = 5.566927310020358 (5.3125e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927014600721 (5.30669e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 5.566926719511573 (5.30075e-06% change) linmin: converged after 9 iterations. iteration 55: trace = 5.566926424712653 (5.29554e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.566926130166101 (5.29101e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 5.566925835871702 (5.28648e-06% change) linmin: converged after 9 iterations. iteration 58: trace = 5.566925541790937 (5.28264e-06% change) linmin: converged after 10 iterations. iteration 59: trace = 5.566925247897712 (5.27927e-06% change) linmin: converged after 6 iterations. iteration 60: trace = 5.566924954156915 (5.27654e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 5.566924660552115 (5.27409e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924367064406 (5.27199e-06% change) linmin: converged after 11 iterations. iteration 63: trace = 5.566924073659454 (5.2705e-06% change) linmin: converged after 12 iterations. iteration 64: trace = 5.566923780311137 (5.26949e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923486988138 (5.26903e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923193675325 (5.26885e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922900337394 (5.2693e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922606953678 (5.27012e-06% change) linmin: converged after 6 iterations. iteration 69: trace = 5.566922313501016 (5.27136e-06% change) resetting CG direction... large trace change predicted (0.0754154%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718699289037 (0.0755391% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516817389784 (0.0575762% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793179139252 (0.0490026% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012045602661 (0.0500618% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007094045905 (0.0361057% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549057842941 (0.0262649% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458397204102 (0.0196515% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474953700598 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115187955224 (0.02451% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236368598172 (0.0338759% change) linmin: converged after 9 iterations. iteration 80: trace = 5.543229142567636 (0.0362039% change) linmin: converged after 10 iterations. iteration 81: trace = 5.541884517727373 (0.02426% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240187846709 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832178757127 (0.00736341% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632129926411 (0.00361051% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551229245906 (0.00146015% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984637142 (0.000600025% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595613592 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181743341 (7.96655e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522107331 (2.99546e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500790404958 (1.32064e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500268932853 (9.412e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499832064119 (7.88501e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499529384537 (5.46304e-06% change) linmin: converged after 8 iterations. iteration 94: trace = 5.540499207175216 (5.81553e-06% change) linmin: converged after 10 iterations. iteration 95: trace = 5.540498785286145 (7.61464e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246106514 (9.73161e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716467954 (9.5594e-06% change) linmin: converged after 11 iterations. iteration 98: trace = 5.540497530058075 (3.3645e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433477556 (1.74317e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 5.540497373258972 (1.08688e-06% change) linmin: converged after 19 iterations. iteration 101: trace = 5.540497321020577 (9.42847e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282526125 (6.94783e-07% change) linmin: converged after 19 iterations. iteration 103: trace = 5.540497260437016 (3.98685e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241875 (1.84011e-07% change) linmin: converged after 7 iterations. iteration 105: trace = 5.540497245841268 (7.94262e-08% change) linmin: converged after 22 iterations. iteration 106: trace = 5.540497244298022 (2.78539e-08% change) linmin: converged after 20 iterations. iteration 107: trace = 5.54049724357753 (1.30041e-08% change) linmin: converged after 17 iterations. iteration 108: trace = 5.540497243251986 (5.87572e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063252 (3.40644e-09% change) linmin: converged after 15 iterations. iteration 110: trace = 5.5404972429578 (1.9033e-09% change) linmin: converged after 9 iterations. iteration 111: trace = 5.540497242914308 (7.84973e-10% change) linmin: converged after 5 iterations. iteration 112: trace = 5.54049724287935 (6.30967e-10% change) linmin: converged after 7 iterations. iteration 113: trace = 5.540497242844003 (6.37972e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790192 (9.71234e-10% change) linmin: converged after 8 iterations. iteration 115: trace = 5.540497242723097 (1.21099e-09% change) linmin: converged after 5 iterations. iteration 116: trace = 5.5404972426584 (1.16771e-09% change) linmin: converged after 21 iterations. iteration 117: trace = 5.540497242618865 (7.13573e-10% change) linmin: converged after 9 iterations. iteration 118: trace = 5.540497242597718 (3.81674e-10% change) linmin: converged after 6 iterations. iteration 119: trace = 5.540497242587055 (1.92464e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 5.540497242581504 (1.00176e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579402 (3.79446e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.8268325328826904 Fixing h-field (band 1) phase by -1 + 2.59125e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113246i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000421577 + -1i; max ampl. = 3.73536 Fixing h-field (band 4) phase by -0.000253674 + -1i; max ampl. = 4.23726 Fixing h-field (band 5) phase by -1 + -7.07656e-05i; max ampl. = 1.49733 Fixing h-field (band 6) phase by 0.000414254 + 1i; max ampl. = 3.68915 Fixing h-field (band 7) phase by 2.53933e-05 + 1i; max ampl. = 2.46425 Fixing h-field (band 8) phase by 0.999999 + -0.00135077i; max ampl. = 4.67306 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081904197 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029238665 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032114 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774016 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600184 (0.00664425% change) linmin: converged after 4 iterations. iteration 6: trace = 5.499421768472725 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071745 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903555 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644882 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354394 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158939 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065395 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510659 (2.44673e-06% change) linmin: converged after 25 iterations. iteration 14: trace = 5.499374968565679 (8.71826e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.49937495268447 (2.88782e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.499374947904288 (8.69223e-08% change) linmin: converged after 7 iterations. iteration 17: trace = 5.499374946845077 (1.92606e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.499374946585432 (4.72137e-09% change) linmin: converged after 15 iterations. iteration 19: trace = 5.499374946459587 (2.28835e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.499374946407666 (9.44128e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.499374946373184 (6.27012e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.499374946343337 (5.42723e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.499374946309959 (6.06953e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288361 (3.92733e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55853e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.17840147018432617 Fixing h-field (band 1) phase by 1 + -4.11365e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.201e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10219e-09 + 1i; max ampl. = 2.65638 Fixing h-field (band 4) phase by 2.2004e-08 + -1i; max ampl. = 4.33159 Fixing h-field (band 5) phase by -8.62525e-10 + 1i; max ampl. = 4.52032 Fixing h-field (band 6) phase by -4.01015e-08 + -1i; max ampl. = 3.38228 Fixing h-field (band 7) phase by -1 + -6.37197e-10i; max ampl. = 2.75759 Fixing h-field (band 8) phase by -1 + -3.09712e-06i; max ampl. = 4.29116 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070073415 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187258 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.48705611194667 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972764 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583154 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149402 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235695 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.48546977263449 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450177 (0.000140848% change) linmin: converged after 5 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302667 (1.14345e-05% change) linmin: converged after 26 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.485459100856722 (4.07767e-07% change) linmin: converged after 9 iterations. iteration 15: trace = 5.485459090161544 (1.94973e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.485459083892637 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.25869e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.48545908063929 (1.67216e-08% change) linmin: converged after 22 iterations. iteration 19: trace = 5.485459080258169 (6.94786e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162864 (1.73741e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117765 (8.2214e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.485459080098437 (3.5236e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.485459080091234 (1.31313e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087866 (6.13982e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.2373661994934082 Fixing h-field (band 1) phase by 1 + 7.44546e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -1.25145e-13i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.75073e-13i; max ampl. = 2.62315 Fixing h-field (band 4) phase by 8.09049e-10 + 1i; max ampl. = 4.45542 Fixing h-field (band 5) phase by 1.14858e-13 + -1i; max ampl. = 5.0129 Fixing h-field (band 6) phase by -8.93338e-10 + 1i; max ampl. = 2.79024 Fixing h-field (band 7) phase by 1 + -1.81983e-14i; max ampl. = 2.99991 Fixing h-field (band 8) phase by -1 + 1.50887e-08i; max ampl. = 3.46534 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023686845 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601550851 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987764577 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809282725 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433401 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742667397 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728544 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831476 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534786 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715216 (0.000137015% change) linmin: converged after 4 iterations. iteration 11: trace = 5.504370385450914 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323706 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496819 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098138 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759298 (8.49034e-06% change) linmin: converged after 10 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.504362167575552 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222023 (3.57677e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.504362095716725 (1.18184e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490904 (4.04374e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750774 (1.34463e-08% change) linmin: converged after 16 iterations. iteration 23: trace = 5.504362092362593 (7.05224e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 5.504362092126029 (4.29775e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030187 (1.74121e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.504362091995301 (6.33786e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.504362091984241 (2.00924e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.34624814987182617 Fixing h-field (band 1) phase by 1 + 9.1952e-18i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -1.24699e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.89889e-15i; max ampl. = 3.69829 Fixing h-field (band 4) phase by 7.09972e-12 + -1i; max ampl. = 4.56151 Fixing h-field (band 5) phase by 1.02753e-14 + -1i; max ampl. = 5.08436 Fixing h-field (band 6) phase by 9.2813e-12 + 1i; max ampl. = 1.72494 Fixing h-field (band 7) phase by -1 + -1.59659e-14i; max ampl. = 3.24171 Fixing h-field (band 8) phase by 3.93792e-11 + -1i; max ampl. = 3.16645 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373816362 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679619856 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373176 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343177978 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180043 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600309 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565389 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740501 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685004 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443202 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714559 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259601 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189773 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693475 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652964 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689267 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647871 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294862 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327792 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295133 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 5.538867707344394 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530767222 (3.18797e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.53886739246091 (2.49701e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282535859 (1.98461e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196565556 (1.55213e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786442 (1.60284e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688868 (2.11411e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904155147 (1.5623e-06% change) linmin: converged after 10 iterations. iteration 30: trace = 5.538866877341245 (4.84104e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 5.538866871036468 (1.13828e-07% change) linmin: converged after 5 iterations. iteration 32: trace = 5.53886686954973 (2.68419e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090199 (8.29648e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868884011 (3.72257e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762681 (2.19051e-09% change) linmin: converged after 9 iterations. iteration 36: trace = 5.53886686869315 (1.25533e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641546 (9.31672e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615201 (4.75641e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605639 (1.72637e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600092 (1.00141e-10% change) linmin: converged after 21 iterations. iteration 41: trace = 5.538866868590822 (1.67361e-10% change) linmin: converged after 5 iterations. iteration 42: trace = 5.538866868573498 (3.1277e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559324 (2.55909e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.538866868553962 (9.68056e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.4887547492980957 Fixing h-field (band 1) phase by 1 + -8.3688e-17i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 2.73398e-18i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + 2.92499e-15i; max ampl. = 4.1103 Fixing h-field (band 4) phase by 2.45632e-12 + -1i; max ampl. = 4.60286 Fixing h-field (band 5) phase by -9.60915e-15 + -1i; max ampl. = 4.98821 Fixing h-field (band 6) phase by 1 + -2.31593e-12i; max ampl. = 2.6134 Fixing h-field (band 7) phase by 1 + 1.9262e-14i; max ampl. = 4.2595 Fixing h-field (band 8) phase by 2.44455e-12 + 1i; max ampl. = 3.64602 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033777615 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081945518 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780923792 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922754058 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.42156545108918 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496871733 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757032539 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055600301 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792744 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109974 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680911 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901301 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057772 (5.90214e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.41979814967787 (1.5395e-05% change) linmin: converged after 11 iterations. iteration 15: trace = 5.419797850965186 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322768 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546705 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573499 (1.84014e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.419797735608417 (5.47084e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734088984 (2.80349e-08% change) linmin: converged after 21 iterations. iteration 21: trace = 5.419797733507753 (1.07242e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.419797733261658 (4.54066e-09% change) linmin: converged after 11 iterations. iteration 23: trace = 5.419797733151182 (2.0384e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102891 (8.90997e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 5.419797733077007 (4.77586e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.419797733054168 (4.21409e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031984 (4.09298e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.41979773301672 (2.81638e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797733003427 (2.45274e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 5.419797732989453 (2.57827e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963328 (1.94423e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958387 (9.11646e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.25319504737854004 Fixing h-field (band 1) phase by 1 + -2.73517e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + -6.3175e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + 2.50805e-13i; max ampl. = 3.95334 Fixing h-field (band 4) phase by -8.06083e-13 + 1i; max ampl. = 4.50492 Fixing h-field (band 5) phase by -1.53823e-14 + -1i; max ampl. = 4.84663 Fixing h-field (band 6) phase by -2.83277e-16 + -1i; max ampl. = 1.79067 Fixing h-field (band 7) phase by 2.4431e-13 + 1i; max ampl. = 3.04657 Fixing h-field (band 8) phase by 1 + 1.48863e-12i; max ampl. = 4.1605 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098775 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345183182 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588963 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571972 (0.0200646% change) linmin: converged after 4 iterations. iteration 5: trace = 5.241214212212872 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880097 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573597 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.24087174159758 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765969 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 5.240854364699085 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786505 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321847 (1.51625e-06% change) linmin: converged after 10 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.240853950743166 (6.91046e-08% change) linmin: converged after 14 iterations. iteration 16: trace = 5.240853949555026 (2.26707e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 5.240853949179415 (7.16697e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.240853949031692 (2.81869e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.240853948976929 (1.04493e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.07139e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07549e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.240853948833732 (9.49688e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802545 (5.95067e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778208 (4.6437e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757247 (3.99954e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.24085394874231 (2.85018e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735854 (1.23189e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.240853948733923 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.22159218788146973 Fixing h-field (band 1) phase by 1 + 5.7372e-16i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + 9.3105e-13i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + 6.29261e-13i; max ampl. = 3.50756 Fixing h-field (band 4) phase by -5.25985e-12 + 1i; max ampl. = 4.25492 Fixing h-field (band 5) phase by -7.83279e-15 + 1i; max ampl. = 4.10702 Fixing h-field (band 6) phase by -5.16826e-15 + 1i; max ampl. = 3.1563 Fixing h-field (band 7) phase by 1.72513e-12 + 1i; max ampl. = 3.26912 Fixing h-field (band 8) phase by -1 + -3.37843e-12i; max ampl. = 4.78292 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984913334 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052906 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866141 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833586 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.09661672198651 (0.00298415% change) linmin: converged after 5 iterations. iteration 6: trace = 5.096573167031523 (0.000854589% change) linmin: converged after 4 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978203 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143689 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659975 (2.58582e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.096544274637563 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71732e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707483 (1.16754e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672398 (6.88404e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.92228e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.096544273547274 (1.46285e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.096544273463897 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.39936e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414496 (2.29358e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.096544273410623 (7.59995e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.20287227630615234 Fixing h-field (band 1) phase by -1 + 7.04169e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + -1.57493e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by -1 + -8.3309e-13i; max ampl. = 2.78416 Fixing h-field (band 4) phase by -6.94462e-15 + -1i; max ampl. = 2.53227 Fixing h-field (band 5) phase by -5.94331e-12 + 1i; max ampl. = 3.9265 Fixing h-field (band 6) phase by -7.3887e-15 + -1i; max ampl. = 4.52548 Fixing h-field (band 7) phase by -1.34735e-11 + -1i; max ampl. = 3.4739 Fixing h-field (band 8) phase by -1 + 7.4233e-12i; max ampl. = 4.9086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910328 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962015 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252272 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190485 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301295 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.006443503180207 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863524 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672484 (6.60426e-06% change) linmin: converged after 28 iterations. iteration 11: trace = 5.006436539138805 (1.98811e-06% change) linmin: converged after 12 iterations. iteration 12: trace = 5.006436508297357 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318631 (1.79344e-07% change) linmin: converged after 23 iterations. iteration 14: trace = 5.006436497214725 (4.2024e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812788 (8.02841e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.00643649671343 (1.9846e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.006436496632907 (8.13359e-10% change) large trace change predicted (2.20202e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.006436496522667 (2.20196e-09% change) linmin: converged after 12 iterations. iteration 20: trace = 5.006436496410068 (2.24908e-09% change) linmin: converged after 10 iterations. iteration 21: trace = 5.006436496357244 (1.05513e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.006436496344438 (2.55786e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.08507e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.09633469581604004 Fixing h-field (band 1) phase by 1 + -1.79442e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -4.56205e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + 9.55568e-16i; max ampl. = 1.66014 Fixing h-field (band 4) phase by 1 + -4.82846e-11i; max ampl. = 1.64641 Fixing h-field (band 5) phase by -1.58264e-14 + 1i; max ampl. = 3.54599 Fixing h-field (band 6) phase by -1.90024e-11 + -1i; max ampl. = 4.96988 Fixing h-field (band 7) phase by -2.78168e-14 + 1i; max ampl. = 3.72139 Fixing h-field (band 8) phase by 1 + 9.38093e-14i; max ampl. = 4.85167 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.97899375042192 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350138666 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668872994 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931619 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.97599920536234 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.9759871531917 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125811 (4.0958e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.975984462449321 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964288 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211398 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705353 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802621 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.97598426749548 (8.65586e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893696 (5.40348e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819601 (1.48906e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774339 (9.096e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706847 (1.35635e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533269 (3.48832e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426871 (2.13822e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74115e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384496 (1.77476e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381781 (5.45653e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.11269736289978027 Fixing h-field (band 1) phase by 1 + -1.87958e-17i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.02546e-13i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.01376e-13 + 1i; max ampl. = 1.85505 Fixing h-field (band 4) phase by 1 + -2.52601e-11i; max ampl. = 1.90199 Fixing h-field (band 5) phase by -1 + -4.64546e-15i; max ampl. = 3.83362 Fixing h-field (band 6) phase by 1.22076e-11 + 1i; max ampl. = 4.82728 Fixing h-field (band 7) phase by -2.07462e-12 + -1i; max ampl. = 5.11981 Fixing h-field (band 8) phase by 1 + 8.40396e-14i; max ampl. = 4.68981 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841112 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352593 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 4 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251282 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323872 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300829 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34381e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128378 (1.55433e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.036378479954632 (3.44983e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909362 (8.98852e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898018 (2.25238e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 5.036378479895266 (5.46517e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.08153605461120605 Fixing h-field (band 1) phase by 1 + -4.27711e-17i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.20874e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -8.38065e-10 + -1i; max ampl. = 1.92561 Fixing h-field (band 4) phase by -5.05322e-16 + -1i; max ampl. = 1.49149 Fixing h-field (band 5) phase by -1.83759e-15 + 1i; max ampl. = 3.30734 Fixing h-field (band 6) phase by -4.16721e-11 + -1i; max ampl. = 5.21642 Fixing h-field (band 7) phase by 5.05322e-16 + 1i; max ampl. = 3.66792 Fixing h-field (band 8) phase by 1 + 7.01609e-10i; max ampl. = 4.83365 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329344 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524669 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119654 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347321 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445593 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487764 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181517 (0.00049% change) linmin: converged after 4 iterations. iteration 9: trace = 5.206571394211565 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670577 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.20656674144837 (2.07473e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 20 iterations. iteration 14: trace = 5.206566313192126 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.206566308082134 (9.81452e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.206566306507289 (3.02473e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040202 (8.97113e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927631 (2.16209e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29761e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.20656630589373 (1.21356e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891688 (3.92353e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.09549784660339355 Fixing h-field (band 1) phase by 1 + 1.28137e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + 5.34357e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -5.2077e-10 + 1i; max ampl. = 2.16532 Fixing h-field (band 4) phase by -1.61932e-13 + 1i; max ampl. = 3.56127 Fixing h-field (band 5) phase by -1.67146e-14 + 1i; max ampl. = 2.47045 Fixing h-field (band 6) phase by 5.21701e-09 + 1i; max ampl. = 5.05859 Fixing h-field (band 7) phase by -9.29984e-13 + -1i; max ampl. = 3.23411 Fixing h-field (band 8) phase by 1 + 6.91201e-10i; max ampl. = 4.7734 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756293992 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812739307 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622411479 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356550667 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971023 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855462 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333846 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574961 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.41726912939794 (0.00376953% change) linmin: converged after 5 iterations. iteration 10: trace = 5.417145557811525 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895446 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907003 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.417088991729021 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.417088858207657 (2.46482e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.417088812132402 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744951 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389878 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680259 (1.054e-07% change) linmin: converged after 5 iterations. iteration 21: trace = 5.417088768321157 (4.35492e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370204 (1.75547e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.41708876692841 (8.15556e-09% change) linmin: converged after 10 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 10 iterations. iteration 25: trace = 5.417088766554598 (2.33997e-09% change) linmin: converged after 10 iterations. iteration 26: trace = 5.417088766462989 (1.69112e-09% change) linmin: converged after 11 iterations. iteration 27: trace = 5.417088766423705 (7.25189e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.417088766412562 (2.05686e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409225 (6.16157e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.22351360321044922 Fixing h-field (band 1) phase by 1 + 1.45835e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -3.55376e-15i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -7.62302e-11 + 1i; max ampl. = 2.6696 Fixing h-field (band 4) phase by -5.8459e-14 + 1i; max ampl. = 3.93612 Fixing h-field (band 5) phase by 8.36458e-11 + -1i; max ampl. = 4.6489 Fixing h-field (band 6) phase by 8.27688e-15 + -1i; max ampl. = 2.84446 Fixing h-field (band 7) phase by -1 + 4.51329e-15i; max ampl. = 3.74182 Fixing h-field (band 8) phase by -1 + 1.45602e-10i; max ampl. = 4.03853 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178997475 (1.22609% change) linmin: converged after 6 iterations. iteration 2: trace = 5.549498902382941 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640711227 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157937 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091515 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860524 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.52292105521615 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379669 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667835 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.52254069646597 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191286 (0.00170514% change) linmin: converged after 8 iterations. iteration 12: trace = 5.522358366920831 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118334 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461869 (0.000382933% change) linmin: converged after 5 iterations. iteration 15: trace = 5.522271218168351 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619550511 (4.70571e-05% change) linmin: converged after 14 iterations. iteration 17: trace = 5.52226795829274 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758809014 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563947 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644702 (4.33142e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656938316 (1.93877e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032532 (7.07279e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435404 (4.70301e-08% change) linmin: converged after 32 iterations. iteration 24: trace = 5.522267648929526 (2.72692e-08% change) linmin: converged after 24 iterations. iteration 25: trace = 5.522267648122488 (1.46142e-08% change) linmin: converged after 16 iterations. iteration 26: trace = 5.52226764745812 (1.20307e-08% change) linmin: converged after 8 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 16 iterations. iteration 28: trace = 5.5222676462904 (9.63754e-09% change) linmin: converged after 5 iterations. iteration 29: trace = 5.522267645965358 (5.88603e-09% change) linmin: converged after 5 iterations. iteration 30: trace = 5.522267645803391 (2.93299e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 5.522267645716788 (1.56825e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679249 (6.79773e-10% change) linmin: converged after 2 iterations. iteration 33: trace = 5.522267645667601 (2.10936e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664741 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.3475644588470459 Fixing h-field (band 1) phase by 1 + -6.59241e-17i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 2.71862e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by 2.63682e-10 + 1i; max ampl. = 3.59476 Fixing h-field (band 4) phase by -6.12323e-17 + -1i; max ampl. = 4.14887 Fixing h-field (band 5) phase by -1 + -2.57093e-10i; max ampl. = 1.36944 Fixing h-field (band 6) phase by -9.0023e-13 + 1i; max ampl. = 3.24838 Fixing h-field (band 7) phase by 3.18418e-12 + -1i; max ampl. = 2.57459 Fixing h-field (band 8) phase by 1 + -1.48388e-15i; max ampl. = 4.85277 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.62341534369291 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799225 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640940337 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172742819 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.57161873626484 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107768875 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898397 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656419794 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950425 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401032 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880778756 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664431215 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.56913350253315 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283174022 (0.00806656% change) near maximum in trace linmin: converged after 11 iterations. iteration 15: trace = 5.566399673351522 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201605374 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388825232 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784843896 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008468074 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637398427 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630801959 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618236061 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244586609 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586694767 (0.0210687% change) linmin: converged after 6 iterations. iteration 25: trace = 5.554798721104044 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114278892 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036027672 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677030462 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583829627 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970112273 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061024367 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957025719 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590488221 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526820524 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677434417 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864325197214 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189085463 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717952991 (0.002837% change) linmin: converged after 4 iterations. iteration 39: trace = 5.550390745016765 (0.00264794% change) linmin: converged after 4 iterations. iteration 40: trace = 5.550253430569195 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903540151 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421846708 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461704793 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756741302 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477347372 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231303523 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437749279 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430732277 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300352011 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831719784 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789454556 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392897125 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424469458 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.54907895413011 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214418771 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603435091 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441469369 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438507597 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472344308 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214321412 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940491089 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719124848 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070105016 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460562136 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157925546 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782844302 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723873994 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403346127 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919688256 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976735944 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222550427 (0.00176188% change) linmin: converged after 6 iterations. iteration 72: trace = 5.54818008109459 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373793321 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.548148375778253 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673477653 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864895084 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.54813883704804 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943205 (7.65593e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 5.548128746383531 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649320854 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114632 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.548119009802893 (3.47742e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253436 (1.34689e-05% change) linmin: converged after 7 iterations. iteration 84: trace = 5.548117907882045 (6.3923e-06% change) linmin: converged after 23 iterations. iteration 85: trace = 5.548117802015849 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686875 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54811772942818 (2.20952e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.548117726415589 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 6 iterations. iteration 90: trace = 5.548117725372829 (3.89394e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334797 (6.8549e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 5.548117725327034 (1.39916e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324982 (3.6996e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.9332866668701172 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + -2.32469e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -3.17397e-12 + 1i; max ampl. = 4.27896 Fixing h-field (band 4) phase by -5.91748e-10 + 1i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 1 + 4.76468e-09i; max ampl. = 1.75894 Fixing h-field (band 6) phase by 6.59899e-11 + -1i; max ampl. = 3.7555 Fixing h-field (band 7) phase by 1.31526e-10 + -1i; max ampl. = 3.75555 Fixing h-field (band 8) phase by 1 + -6.90848e-14i; max ampl. = 4.48388 .Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489816 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44158844972254385 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069743 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757014 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677085 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502149 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855883 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660692 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650196 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.086072932359415 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052698 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556935 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677085) to band 5 (0.8241814443502149), 1.7739824912428712% Gap from band 7 (1.086072932359415) to band 8 (1.0878689635052698), 0.16523267243447132% total elapsed time for run: 4.957497835159302 done /tmp/meepuUBjUW/test_get_eigenvectors-0: 4.99s /tmp/meepuUBjUW/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016918182373046875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1654682159423828 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.8318471908569336 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.37545228004455566 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.3322489261627197 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.39717888832092285 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.521719217300415 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.29021215438842773 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.2821483612060547 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.1826927661895752 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.25316429138183594 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.2842230796813965 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.2567460536956787 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.18863821029663086 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.15994954109191895 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.15206289291381836 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.38417863845825195 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 5.060826539993286 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 ./tmp/meepuUBjUW/test_get_hfield-0: 5.07s /tmp/meepuUBjUW/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014805793762207031 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.15948200225830078 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.13016915321350098 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.11349868774414062 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.09773397445678711 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.10231804847717285 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.08418488502502441 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.05457615852355957 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.055269479751586914 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.07616090774536133 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.09594464302062988 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.09578061103820801 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657 Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168 Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881 Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957312 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510743 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525583 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380287 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309859 (1.7049e-10% change) linmin: converged after 3 iterations. iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.11031556129455566 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338974 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011073 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283281438838011 (0.00210466% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 7 iterations. iteration 6: trace = 4.28326657937046 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834247 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102651 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093189 (2.35676e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283266489000646 (2.16059e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.283266488991158 (2.21502e-10% change) linmin: converged after 11 iterations. iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.12978696823120117 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060165 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164763 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 13 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016636 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309537 (3.71634e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65554e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.410102274561973 (5.74616e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546353 (3.54196e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.13264918327331543 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101673 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258617 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323376 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553309 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244495 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738526 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347481 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618732 (7.91744e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781556 (2.7502e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.53451762276076 (4.58611e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.1787121295928955 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082276254 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477331197 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234815 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379737 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189929 (0.00557828% change) linmin: converged after 16 iterations. iteration 6: trace = 4.577915173102078 (0.000900408% change) linmin: converged after 8 iterations. iteration 7: trace = 4.577900193794617 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955983 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564553 (2.15468e-05% change) linmin: converged after 10 iterations. iteration 10: trace = 4.577894647524367 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981888 (3.39512e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.577894627560067 (9.65907e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684431 (1.91275e-08% change) linmin: converged after 7 iterations. iteration 14: trace = 4.577894626586341 (2.1427e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573657 (2.77072e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.13299798965454102 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 1.762998342514038 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Found complex vector dataset... Input data is rank 2, size 32x32x1. Rotating vectors by matrix [ 0.8660254038, 0.5, -0 0.5, -0.8660254038, -0 -0, -0, 1 ] Output data 96x83x1. real part range: 0 .. 0 imag part range: 0 .. 0 real part range: 0 .. 0 imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 ./tmp/meepuUBjUW/test_handle_cvector-0: 1.86s /tmp/meepuUBjUW/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.11, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 10 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.16666666666666666, 0.0, 0.0> Vector3<0.3333333333333333, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.16666666666666666, 0.0> Vector3<0.5, 0.3333333333333333, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Vector3<0.16666666666666669, 0.16666666666666669, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00978851318359375 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10 Solving for bands 2 to 10... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 46.67690825536735 (188.044% change) linmin: converged after 7 iterations. iteration 2: trace = 20.87201589192944 (76.4036% change) linmin: converged after 10 iterations. iteration 3: trace = 17.90281367460673 (15.3151% change) linmin: converged after 7 iterations. iteration 4: trace = 16.44745357201135 (8.47365% change) linmin: converged after 7 iterations. iteration 5: trace = 15.57503623871558 (5.44878% change) linmin: converged after 7 iterations. iteration 6: trace = 14.93685931084693 (4.18314% change) linmin: converged after 6 iterations. iteration 7: trace = 14.66427204412151 (1.84174% change) large trace change predicted (3.90566%) linmin: converged after 5 iterations. iteration 8: trace = 14.03803967394925 (4.36364% change) linmin: converged after 5 iterations. iteration 9: trace = 13.72475704319461 (2.25685% change) linmin: converged after 6 iterations. iteration 10: trace = 13.44496718978157 (2.05957% change) linmin: converged after 5 iterations. iteration 11: trace = 13.08709458939926 (2.69766% change) linmin: converged after 6 iterations. iteration 12: trace = 12.85444591732123 (1.79364% change) linmin: converged after 5 iterations. iteration 13: trace = 12.55657797174782 (2.3444% change) linmin: converged after 5 iterations. iteration 14: trace = 12.19678333591758 (2.90704% change) linmin: converged after 5 iterations. iteration 15: trace = 11.81712739283433 (3.16197% change) linmin: converged after 6 iterations. iteration 16: trace = 11.41216612913362 (3.48664% change) linmin: converged after 6 iterations. iteration 17: trace = 10.90973448619632 (4.50169% change) linmin: converged after 8 iterations. iteration 18: trace = 10.44959835156425 (4.30853% change) linmin: converged after 7 iterations. iteration 19: trace = 9.946119693999728 (4.9371% change) linmin: converged after 8 iterations. iteration 20: trace = 9.604108858104249 (3.49879% change) linmin: converged after 7 iterations. iteration 21: trace = 9.066211132700758 (5.76206% change) linmin: converged after 7 iterations. iteration 22: trace = 8.754783680320099 (3.49506% change) linmin: converged after 8 iterations. iteration 23: trace = 8.366907716682842 (4.53081% change) linmin: converged after 7 iterations. iteration 24: trace = 8.082023293497876 (3.46387% change) linmin: converged after 6 iterations. iteration 25: trace = 7.760859506072383 (4.05436% change) linmin: converged after 7 iterations. iteration 26: trace = 7.505495003243805 (3.34545% change) linmin: converged after 6 iterations. iteration 27: trace = 7.127998958156258 (5.15934% change) linmin: converged after 11 iterations. iteration 28: trace = 6.950727436055764 (2.51829% change) linmin: converged after 5 iterations. iteration 29: trace = 6.788207349772075 (2.36583% change) linmin: converged after 5 iterations. iteration 30: trace = 6.663378833341418 (1.85597% change) linmin: converged after 8 iterations. iteration 31: trace = 6.387397375407015 (4.22935% change) linmin: converged after 7 iterations. iteration 32: trace = 6.077630099806203 (4.97018% change) linmin: converged after 9 iterations. iteration 33: trace = 5.845265457472709 (3.89779% change) linmin: converged after 5 iterations. iteration 34: trace = 5.676181876309078 (2.93511% change) linmin: converged after 5 iterations. iteration 35: trace = 5.533824231205664 (2.53983% change) linmin: converged after 10 iterations. iteration 36: trace = 5.376187973974618 (2.88975% change) linmin: converged after 7 iterations. iteration 37: trace = 5.264316137410749 (2.10275% change) linmin: converged after 6 iterations. iteration 38: trace = 5.138003212054784 (2.42855% change) linmin: converged after 7 iterations. iteration 39: trace = 5.056109268376328 (1.60669% change) linmin: converged after 7 iterations. iteration 40: trace = 4.966406354072589 (1.79003% change) linmin: converged after 7 iterations. iteration 41: trace = 4.865793792633924 (2.04659% change) linmin: converged after 8 iterations. iteration 42: trace = 4.755591543596198 (2.29078% change) linmin: converged after 8 iterations. iteration 43: trace = 4.669630998346893 (1.82405% change) linmin: converged after 8 iterations. iteration 44: trace = 4.618919953560653 (1.0919% change) linmin: converged after 4 iterations. iteration 45: trace = 4.558826347512805 (1.30955% change) linmin: converged after 5 iterations. iteration 46: trace = 4.516268796384417 (0.937898% change) linmin: converged after 5 iterations. iteration 47: trace = 4.466855897051691 (1.10013% change) linmin: converged after 7 iterations. iteration 48: trace = 4.402172815963693 (1.45863% change) linmin: converged after 6 iterations. iteration 49: trace = 4.348894165981942 (1.21765% change) linmin: converged after 6 iterations. iteration 50: trace = 4.277264475657445 (1.66076% change) linmin: converged after 7 iterations. iteration 51: trace = 4.218023563650445 (1.39468% change) linmin: converged after 4 iterations. iteration 52: trace = 4.155509345171562 (1.49314% change) linmin: converged after 7 iterations. iteration 53: trace = 4.094398066584754 (1.4815% change) linmin: converged after 7 iterations. iteration 54: trace = 4.000043134875538 (2.33135% change) linmin: converged after 5 iterations. iteration 55: trace = 3.922502571777799 (1.95747% change) linmin: converged after 8 iterations. iteration 56: trace = 3.850088394081112 (1.86332% change) linmin: converged after 7 iterations. iteration 57: trace = 3.791821935313555 (1.52492% change) linmin: converged after 6 iterations. iteration 58: trace = 3.753050708507767 (1.02775% change) linmin: converged after 4 iterations. iteration 59: trace = 3.719648814645396 (0.893971% change) linmin: converged after 6 iterations. iteration 60: trace = 3.691349243816827 (0.763718% change) linmin: converged after 6 iterations. iteration 61: trace = 3.665517698636417 (0.702243% change) linmin: converged after 5 iterations. iteration 62: trace = 3.642774923950771 (0.622383% change) linmin: converged after 6 iterations. iteration 63: trace = 3.621632257764969 (0.582089% change) linmin: converged after 6 iterations. iteration 64: trace = 3.604354313198482 (0.478217% change) linmin: converged after 4 iterations. iteration 65: trace = 3.588974738288043 (0.427607% change) linmin: converged after 4 iterations. iteration 66: trace = 3.575630801714686 (0.372496% change) linmin: converged after 6 iterations. iteration 67: trace = 3.563562104542054 (0.338097% change) linmin: converged after 6 iterations. iteration 68: trace = 3.551359863705462 (0.343004% change) linmin: converged after 6 iterations. iteration 69: trace = 3.539576087021361 (0.332362% change) resetting CG direction... large trace change predicted (2.94865%) linmin: converged after 5 iterations. iteration 70: trace = 3.431405225034667 (3.10346% change) linmin: converged after 4 iterations. iteration 71: trace = 3.364606599918429 (1.96582% change) linmin: converged after 5 iterations. iteration 72: trace = 3.333178753762374 (0.938455% change) linmin: converged after 4 iterations. iteration 73: trace = 3.327511374845806 (0.170174% change) large trace change predicted (0.554837%) linmin: converged after 5 iterations. iteration 74: trace = 3.30839581049568 (0.576125% change) linmin: converged after 4 iterations. iteration 75: trace = 3.303101990445036 (0.16014% change) linmin: converged after 3 iterations. iteration 76: trace = 3.295500168802517 (0.230407% change) linmin: converged after 4 iterations. iteration 77: trace = 3.28807355346897 (0.22561% change) linmin: converged after 4 iterations. iteration 78: trace = 3.281432543666933 (0.202177% change) linmin: converged after 6 iterations. iteration 79: trace = 3.268340966472334 (0.399757% change) linmin: converged after 4 iterations. iteration 80: trace = 3.263337195175677 (0.153215% change) large trace change predicted (0.729751%) linmin: converged after 5 iterations. iteration 81: trace = 3.239916775785054 (0.720268% change) linmin: converged after 6 iterations. iteration 82: trace = 3.220325377463571 (0.606522% change) linmin: converged after 4 iterations. iteration 83: trace = 3.198541316604321 (0.678751% change) linmin: converged after 4 iterations. iteration 84: trace = 3.177521915924397 (0.659322% change) linmin: converged after 5 iterations. iteration 85: trace = 3.158689441282762 (0.59444% change) linmin: converged after 4 iterations. iteration 86: trace = 3.124351619672183 (1.09303% change) linmin: converged after 4 iterations. iteration 87: trace = 3.115938154199683 (0.26965% change) large trace change predicted (0.80553%) linmin: converged after 4 iterations. iteration 88: trace = 3.091192470229429 (0.797331% change) linmin: converged after 5 iterations. iteration 89: trace = 3.081043078189253 (0.328872% change) linmin: converged after 8 iterations. iteration 90: trace = 3.068578063540339 (0.405391% change) linmin: converged after 6 iterations. iteration 91: trace = 3.058935697216242 (0.314724% change) linmin: converged after 5 iterations. iteration 92: trace = 3.05180850737605 (0.233267% change) linmin: converged after 3 iterations. iteration 93: trace = 3.039400873174168 (0.407395% change) linmin: converged after 6 iterations. iteration 94: trace = 3.036435748683464 (0.0976038% change) large trace change predicted (0.289199%) linmin: converged after 7 iterations. iteration 95: trace = 3.027689317351538 (0.288465% change) linmin: converged after 5 iterations. iteration 96: trace = 3.025436115933095 (0.0744475% change) linmin: converged after 5 iterations. iteration 97: trace = 3.022123370988173 (0.109556% change) linmin: converged after 8 iterations. iteration 98: trace = 3.019557672499226 (0.0849333% change) linmin: converged after 5 iterations. iteration 99: trace = 3.017617454341009 (0.0642757% change) large trace change predicted (0.199216%) linmin: converged after 6 iterations. iteration 100: trace = 3.011702812029835 (0.196196% change) linmin: converged after 5 iterations. iteration 101: trace = 3.008822242129416 (0.0956917% change) large trace change predicted (0.494575%) linmin: converged after 7 iterations. iteration 102: trace = 2.993101363818678 (0.523861% change) large trace change predicted (2.76676%) linmin: converged after 11 iterations. iteration 103: trace = 2.971607966586401 (0.720685% change) linmin: converged after 6 iterations. iteration 104: trace = 2.966426041934485 (0.174533% change) linmin: converged after 7 iterations. iteration 105: trace = 2.962576916432998 (0.129841% change) linmin: converged after 4 iterations. iteration 106: trace = 2.959663417317667 (0.0983918% change) linmin: converged after 4 iterations. iteration 107: trace = 2.957613910125768 (0.069272% change) linmin: converged after 4 iterations. iteration 108: trace = 2.956027948354737 (0.0536374% change) linmin: converged after 4 iterations. iteration 109: trace = 2.954446405928148 (0.0535166% change) linmin: converged after 4 iterations. iteration 110: trace = 2.952644656961998 (0.0610029% change) linmin: converged after 7 iterations. iteration 111: trace = 2.950800299587361 (0.0624841% change) linmin: converged after 5 iterations. iteration 112: trace = 2.949162275119235 (0.0555266% change) linmin: converged after 5 iterations. iteration 113: trace = 2.947680347043586 (0.0502617% change) linmin: converged after 5 iterations. iteration 114: trace = 2.946173844337002 (0.0511211% change) linmin: converged after 4 iterations. iteration 115: trace = 2.944665514272482 (0.0512093% change) linmin: converged after 4 iterations. iteration 116: trace = 2.943386753096056 (0.0434358% change) linmin: converged after 8 iterations. iteration 117: trace = 2.942362730441001 (0.0347967% change) linmin: converged after 6 iterations. iteration 118: trace = 2.941372078288963 (0.0336743% change) linmin: converged after 6 iterations. iteration 119: trace = 2.940246560501752 (0.0382724% change) linmin: converged after 6 iterations. iteration 120: trace = 2.939085641698362 (0.0394915% change) linmin: converged after 6 iterations. iteration 121: trace = 2.938048946889208 (0.0352789% change) linmin: converged after 7 iterations. iteration 122: trace = 2.937029634222545 (0.0346995% change) linmin: converged after 4 iterations. iteration 123: trace = 2.93578498323623 (0.0423869% change) linmin: converged after 4 iterations. iteration 124: trace = 2.934266526562438 (0.0517357% change) linmin: converged after 4 iterations. iteration 125: trace = 2.932753457184486 (0.0515788% change) linmin: converged after 6 iterations. iteration 126: trace = 2.931392951500543 (0.0464008% change) linmin: converged after 4 iterations. iteration 127: trace = 2.930045864154609 (0.0459644% change) linmin: converged after 4 iterations. iteration 128: trace = 2.928604937066982 (0.0491897% change) linmin: converged after 4 iterations. iteration 129: trace = 2.927186353523649 (0.0484506% change) linmin: converged after 5 iterations. iteration 130: trace = 2.92592607553319 (0.0430635% change) linmin: converged after 7 iterations. iteration 131: trace = 2.924738046286078 (0.0406118% change) linmin: converged after 5 iterations. iteration 132: trace = 2.923387162526266 (0.0461989% change) linmin: converged after 4 iterations. iteration 133: trace = 2.921694777691809 (0.057908% change) linmin: converged after 4 iterations. iteration 134: trace = 2.919767635225542 (0.0659815% change) linmin: converged after 4 iterations. iteration 135: trace = 2.917896313499875 (0.064112% change) linmin: converged after 4 iterations. iteration 136: trace = 2.91617931683536 (0.058861% change) linmin: converged after 5 iterations. iteration 137: trace = 2.914507630833452 (0.057341% change) linmin: converged after 5 iterations. iteration 138: trace = 2.912775780152054 (0.0594394% change) linmin: converged after 5 iterations. iteration 139: trace = 2.911010765359506 (0.060614% change) resetting CG direction... large trace change predicted (0.793722%) linmin: converged after 4 iterations. iteration 140: trace = 2.888445434845293 (0.778188% change) large trace change predicted (2.41109%) linmin: converged after 6 iterations. iteration 141: trace = 2.824395301475856 (2.24232% change) linmin: converged after 6 iterations. iteration 142: trace = 2.788318376203819 (1.28554% change) linmin: converged after 4 iterations. iteration 143: trace = 2.760124165776621 (1.01629% change) linmin: converged after 4 iterations. iteration 144: trace = 2.747302232502843 (0.465623% change) linmin: converged after 3 iterations. iteration 145: trace = 2.742808570144592 (0.1637% change) linmin: converged after 4 iterations. iteration 146: trace = 2.736559669694309 (0.228088% change) linmin: converged after 7 iterations. iteration 147: trace = 2.734950084071833 (0.0588352% change) linmin: converged after 10 iterations. iteration 148: trace = 2.732082394813406 (0.104908% change) linmin: converged after 5 iterations. iteration 149: trace = 2.731340115523151 (0.0271727% change) large trace change predicted (0.066467%) linmin: converged after 7 iterations. iteration 150: trace = 2.729522161691801 (0.0665812% change) linmin: converged after 4 iterations. iteration 151: trace = 2.72891463549496 (0.0222601% change) linmin: converged after 4 iterations. iteration 152: trace = 2.727938453189785 (0.0357782% change) linmin: converged after 6 iterations. iteration 153: trace = 2.727649314412402 (0.0105997% change) large trace change predicted (0.0314719%) linmin: converged after 5 iterations. iteration 154: trace = 2.726791830859148 (0.0314417% change) linmin: converged after 5 iterations. iteration 155: trace = 2.726414202246866 (0.0138498% change) large trace change predicted (0.0747307%) linmin: converged after 4 iterations. iteration 156: trace = 2.724395467475787 (0.074071% change) linmin: converged after 4 iterations. iteration 157: trace = 2.723687992722442 (0.0259715% change) linmin: converged after 4 iterations. iteration 158: trace = 2.722564479351532 (0.0412582% change) linmin: converged after 6 iterations. iteration 159: trace = 2.721742641544374 (0.0301907% change) linmin: converged after 6 iterations. iteration 160: trace = 2.720173117539718 (0.0576828% change) linmin: converged after 4 iterations. iteration 161: trace = 2.719126934528914 (0.0384676% change) large trace change predicted (0.105576%) linmin: converged after 4 iterations. iteration 162: trace = 2.716260242702058 (0.105483% change) linmin: converged after 5 iterations. iteration 163: trace = 2.715293689117474 (0.0355903% change) large trace change predicted (0.139385%) linmin: converged after 4 iterations. iteration 164: trace = 2.711486071436141 (0.140327% change) linmin: converged after 4 iterations. iteration 165: trace = 2.710549551642114 (0.034545% change) large trace change predicted (0.088161%) linmin: converged after 4 iterations. iteration 166: trace = 2.708140625122256 (0.0889118% change) linmin: converged after 7 iterations. iteration 167: trace = 2.707016991616928 (0.0414996% change) linmin: converged after 6 iterations. iteration 168: trace = 2.705086517550507 (0.0713391% change) linmin: converged after 6 iterations. iteration 169: trace = 2.704249185579521 (0.0309588% change) linmin: converged after 6 iterations. iteration 170: trace = 2.70286697756975 (0.0511255% change) linmin: converged after 6 iterations. iteration 171: trace = 2.702314851114448 (0.0204295% change) large trace change predicted (0.0431886%) linmin: converged after 6 iterations. iteration 172: trace = 2.701148865822604 (0.043157% change) linmin: converged after 6 iterations. iteration 173: trace = 2.700717737994567 (0.0159622% change) linmin: converged after 5 iterations. iteration 174: trace = 2.699926496369319 (0.0293017% change) linmin: converged after 9 iterations. iteration 175: trace = 2.699504711326707 (0.0156233% change) linmin: converged after 4 iterations. iteration 176: trace = 2.698895228285984 (0.0225801% change) linmin: converged after 5 iterations. iteration 177: trace = 2.69845248627361 (0.0164059% change) linmin: converged after 4 iterations. iteration 178: trace = 2.697993927855573 (0.0169948% change) linmin: converged after 9 iterations. iteration 179: trace = 2.697465798470492 (0.0195768% change) linmin: converged after 4 iterations. iteration 180: trace = 2.696665529696999 (0.0296718% change) linmin: converged after 7 iterations. iteration 181: trace = 2.696203637949456 (0.0171297% change) large trace change predicted (0.0347105%) linmin: converged after 5 iterations. iteration 182: trace = 2.695266855519616 (0.0347505% change) linmin: converged after 5 iterations. iteration 183: trace = 2.694439958230504 (0.0306843% change) large trace change predicted (0.0624104%) linmin: converged after 9 iterations. iteration 184: trace = 2.692752798118185 (0.062636% change) linmin: converged after 8 iterations. iteration 185: trace = 2.690742143608226 (0.074697% change) linmin: converged after 5 iterations. iteration 186: trace = 2.687553625591221 (0.11857% change) linmin: converged after 10 iterations. iteration 187: trace = 2.685786271118345 (0.0657823% change) large trace change predicted (0.272422%) linmin: converged after 5 iterations. iteration 188: trace = 2.678469038850558 (0.272814% change) linmin: converged after 5 iterations. iteration 189: trace = 2.675875271270749 (0.0968846% change) large trace change predicted (0.339205%) linmin: converged after 4 iterations. iteration 190: trace = 2.666749429302875 (0.341624% change) linmin: converged after 5 iterations. iteration 191: trace = 2.662935791754209 (0.143109% change) linmin: converged after 5 iterations. iteration 192: trace = 2.657097947243713 (0.219466% change) linmin: converged after 5 iterations. iteration 193: trace = 2.653500798862163 (0.135471% change) linmin: converged after 6 iterations. iteration 194: trace = 2.648519701485342 (0.187894% change) linmin: converged after 4 iterations. iteration 195: trace = 2.645319196327754 (0.120914% change) linmin: converged after 4 iterations. iteration 196: trace = 2.643049563980745 (0.0858349% change) linmin: converged after 5 iterations. iteration 197: trace = 2.639077161842874 (0.150409% change) linmin: converged after 7 iterations. iteration 198: trace = 2.637980234339716 (0.0415735% change) large trace change predicted (0.120144%) linmin: converged after 4 iterations. iteration 199: trace = 2.634788372723134 (0.12107% change) linmin: converged after 5 iterations. iteration 200: trace = 2.633992269155724 (0.0302197% change) large trace change predicted (0.0843001%) linmin: converged after 3 iterations. iteration 201: trace = 2.631753617625737 (0.0850269% change) linmin: converged after 6 iterations. iteration 202: trace = 2.630651895620766 (0.0418714% change) large trace change predicted (0.0971038%) linmin: converged after 9 iterations. iteration 203: trace = 2.628077536137525 (0.097908% change) linmin: converged after 4 iterations. iteration 204: trace = 2.626793183488546 (0.0488824% change) large trace change predicted (0.142943%) linmin: converged after 3 iterations. iteration 205: trace = 2.622986080692303 (0.145039% change) linmin: converged after 4 iterations. iteration 206: trace = 2.621383996907963 (0.0610973% change) large trace change predicted (0.232967%) linmin: converged after 4 iterations. iteration 207: trace = 2.615139473869272 (0.238499% change) linmin: converged after 3 iterations. iteration 208: trace = 2.612611956167025 (0.0966962% change) large trace change predicted (0.273615%) linmin: converged after 4 iterations. iteration 209: trace = 2.605294546018591 (0.280473% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.602501639585325 (0.107259% change) linmin: converged after 4 iterations. iteration 211: trace = 2.598226783311826 (0.164395% change) linmin: converged after 4 iterations. iteration 212: trace = 2.595438442445011 (0.107375% change) linmin: converged after 4 iterations. iteration 213: trace = 2.593716854831667 (0.0663533% change) large trace change predicted (0.153318%) linmin: converged after 4 iterations. iteration 214: trace = 2.589741715718366 (0.153378% change) linmin: converged after 5 iterations. iteration 215: trace = 2.588707419123327 (0.0399462% change) large trace change predicted (0.210518%) linmin: converged after 6 iterations. iteration 216: trace = 2.583253193893322 (0.210915% change) linmin: converged after 9 iterations. iteration 217: trace = 2.581730199574025 (0.0589738% change) large trace change predicted (0.133263%) linmin: converged after 5 iterations. iteration 218: trace = 2.578286680822565 (0.133469% change) linmin: converged after 7 iterations. iteration 219: trace = 2.575897179422247 (0.0927208% change) linmin: converged after 4 iterations. iteration 220: trace = 2.572968263562473 (0.113769% change) linmin: converged after 3 iterations. iteration 221: trace = 2.568394298969082 (0.177928% change) linmin: converged after 7 iterations. iteration 222: trace = 2.565762350762913 (0.102527% change) large trace change predicted (0.271659%) linmin: converged after 3 iterations. iteration 223: trace = 2.558743056249501 (0.27395% change) linmin: converged after 4 iterations. iteration 224: trace = 2.555855356893964 (0.11292% change) large trace change predicted (0.383531%) linmin: converged after 4 iterations. iteration 225: trace = 2.545964046426559 (0.387756% change) linmin: converged after 4 iterations. iteration 226: trace = 2.542272455031843 (0.145103% change) large trace change predicted (0.357961%) linmin: converged after 3 iterations. iteration 227: trace = 2.533094064316798 (0.361684% change) linmin: converged after 4 iterations. iteration 228: trace = 2.529281986486796 (0.150604% change) large trace change predicted (0.341752%) linmin: converged after 3 iterations. iteration 229: trace = 2.520565177206163 (0.345231% change) linmin: converged after 5 iterations. iteration 230: trace = 2.518048803871747 (0.0998836% change) large trace change predicted (0.265439%) linmin: converged after 4 iterations. iteration 231: trace = 2.511316892458201 (0.267704% change) linmin: converged after 7 iterations. iteration 232: trace = 2.510042722318929 (0.05075% change) large trace change predicted (0.139546%) linmin: converged after 3 iterations. iteration 233: trace = 2.50652768321382 (0.140137% change) linmin: converged after 6 iterations. iteration 234: trace = 2.50570701660063 (0.0327465% change) large trace change predicted (0.0895116%) linmin: converged after 6 iterations. iteration 235: trace = 2.503462764984659 (0.0896057% change) linmin: converged after 5 iterations. iteration 236: trace = 2.502020878554722 (0.0576123% change) linmin: converged after 3 iterations. iteration 237: trace = 2.499357133046416 (0.10652% change) linmin: converged after 4 iterations. iteration 238: trace = 2.498060229272503 (0.051903% change) large trace change predicted (0.134377%) linmin: converged after 3 iterations. iteration 239: trace = 2.494680578926055 (0.135383% change) linmin: converged after 3 iterations. iteration 240: trace = 2.492784206177824 (0.0760456% change) linmin: converged after 3 iterations. iteration 241: trace = 2.489548510931036 (0.129887% change) linmin: converged after 3 iterations. iteration 242: trace = 2.485323205274456 (0.169866% change) linmin: converged after 4 iterations. iteration 243: trace = 2.483243378713432 (0.0837194% change) large trace change predicted (0.199061%) linmin: converged after 3 iterations. iteration 244: trace = 2.478260870991282 (0.200847% change) linmin: converged after 8 iterations. iteration 245: trace = 2.476663235827183 (0.0644868% change) large trace change predicted (0.23638%) linmin: converged after 3 iterations. iteration 246: trace = 2.470771800393848 (0.238161% change) linmin: converged after 4 iterations. iteration 247: trace = 2.467263022187214 (0.142112% change) linmin: converged after 4 iterations. iteration 248: trace = 2.463512827262804 (0.152114% change) linmin: converged after 3 iterations. iteration 249: trace = 2.460173715285887 (0.135635% change) linmin: converged after 4 iterations. iteration 250: trace = 2.458464637430362 (0.0694939% change) large trace change predicted (0.161944%) linmin: converged after 3 iterations. iteration 251: trace = 2.454447849151615 (0.16352% change) linmin: converged after 4 iterations. iteration 252: trace = 2.452898905318962 (0.0631275% change) large trace change predicted (0.134015%) linmin: converged after 3 iterations. iteration 253: trace = 2.449577914497606 (0.135482% change) linmin: converged after 3 iterations. iteration 254: trace = 2.448630132296462 (0.0386991% change) linmin: converged after 4 iterations. iteration 255: trace = 2.447792953309919 (0.0341955% change) linmin: converged after 4 iterations. iteration 256: trace = 2.447309279190399 (0.0197616% change) linmin: converged after 5 iterations. iteration 257: trace = 2.447075084348053 (0.00956994% change) large trace change predicted (0.0198404%) linmin: converged after 3 iterations. iteration 258: trace = 2.446589451158328 (0.0198474% change) linmin: converged after 5 iterations. iteration 259: trace = 2.44643885622507 (0.00615549% change) large trace change predicted (0.0328875%) linmin: converged after 3 iterations. iteration 260: trace = 2.445633996009991 (0.0329047% change) linmin: converged after 6 iterations. iteration 261: trace = 2.445318466412624 (0.0129026% change) large trace change predicted (0.0608575%) linmin: converged after 3 iterations. iteration 262: trace = 2.443826921509546 (0.0610145% change) linmin: converged after 8 iterations. iteration 263: trace = 2.442960129708474 (0.0354749% change) large trace change predicted (0.0929087%) linmin: converged after 3 iterations. iteration 264: trace = 2.440675969398874 (0.0935434% change) linmin: converged after 4 iterations. iteration 265: trace = 2.439708508065579 (0.0396469% change) large trace change predicted (0.147496%) linmin: converged after 3 iterations. iteration 266: trace = 2.436077919336658 (0.148923% change) linmin: converged after 7 iterations. iteration 267: trace = 2.434989871206461 (0.0446739% change) large trace change predicted (0.13501%) linmin: converged after 3 iterations. iteration 268: trace = 2.431673039558048 (0.136308% change) linmin: converged after 4 iterations. iteration 269: trace = 2.430791547543352 (0.036257% change) large trace change predicted (0.0924884%) linmin: converged after 3 iterations. iteration 270: trace = 2.428532709530431 (0.0929692% change) linmin: converged after 4 iterations. iteration 271: trace = 2.428080183817308 (0.0186354% change) linmin: converged after 3 iterations. iteration 272: trace = 2.427352276899583 (0.0299832% change) linmin: converged after 5 iterations. iteration 273: trace = 2.427093882290142 (0.0106457% change) linmin: converged after 3 iterations. iteration 274: trace = 2.426602493386211 (0.020248% change) linmin: converged after 5 iterations. iteration 275: trace = 2.426458650763427 (0.00592791% change) large trace change predicted (0.0145955%) linmin: converged after 3 iterations. iteration 276: trace = 2.42610420864135 (0.0146085% change) linmin: converged after 9 iterations. iteration 277: trace = 2.426001026018845 (0.00425311% change) large trace change predicted (0.0130293%) linmin: converged after 4 iterations. iteration 278: trace = 2.425684744039484 (0.013038% change) linmin: converged after 4 iterations. iteration 279: trace = 2.425547908904644 (0.00564125% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.425456432332552 (0.00377145% change) linmin: converged after 3 iterations. iteration 281: trace = 2.425329023523761 (0.00525312% change) linmin: converged after 3 iterations. iteration 282: trace = 2.425209263141928 (0.00493802% change) linmin: converged after 5 iterations. iteration 283: trace = 2.425139361694731 (0.00288233% change) large trace change predicted (0.0101575%) linmin: converged after 4 iterations. iteration 284: trace = 2.424892873652419 (0.0101644% change) linmin: converged after 4 iterations. iteration 285: trace = 2.424794217343377 (0.00406856% change) large trace change predicted (0.0152137%) linmin: converged after 3 iterations. iteration 286: trace = 2.424425233233391 (0.0152183% change) linmin: converged after 4 iterations. iteration 287: trace = 2.423886327780014 (0.0222306% change) linmin: converged after 5 iterations. iteration 288: trace = 2.423609126297221 (0.0114369% change) large trace change predicted (0.0278068%) linmin: converged after 3 iterations. iteration 289: trace = 2.422934176240295 (0.0278528% change) linmin: converged after 7 iterations. iteration 290: trace = 2.422182661303272 (0.0310215% change) linmin: converged after 4 iterations. iteration 291: trace = 2.421816113520184 (0.0151341% change) linmin: converged after 3 iterations. iteration 292: trace = 2.421092952299891 (0.0298647% change) linmin: converged after 8 iterations. iteration 293: trace = 2.420928853410942 (0.00677811% change) linmin: converged after 3 iterations. iteration 294: trace = 2.420614966273286 (0.0129664% change) linmin: converged after 3 iterations. iteration 295: trace = 2.420423391102427 (0.00791463% change) linmin: converged after 4 iterations. iteration 296: trace = 2.420351654383627 (0.00296385% change) linmin: converged after 4 iterations. iteration 297: trace = 2.420227943006071 (0.00511143% change) linmin: converged after 4 iterations. iteration 298: trace = 2.420056192437012 (0.00709671% change) linmin: converged after 5 iterations. iteration 299: trace = 2.41997922460286 (0.00318047% change) large trace change predicted (0.00933409%) linmin: converged after 4 iterations. iteration 300: trace = 2.419753538390246 (0.00932639% change) linmin: converged after 5 iterations. iteration 301: trace = 2.419685427916214 (0.00281481% change) large trace change predicted (0.00607762%) linmin: converged after 8 iterations. iteration 302: trace = 2.419538451023052 (0.0060744% change) linmin: converged after 6 iterations. iteration 303: trace = 2.419396855475916 (0.00585234% change) linmin: converged after 4 iterations. iteration 304: trace = 2.419347300034381 (0.00204828% change) large trace change predicted (0.00847111%) linmin: converged after 6 iterations. iteration 305: trace = 2.419142483385138 (0.00846614% change) linmin: converged after 7 iterations. iteration 306: trace = 2.419070004982281 (0.00299608% change) large trace change predicted (0.0116725%) linmin: converged after 5 iterations. iteration 307: trace = 2.418787686606084 (0.0116712% change) linmin: converged after 6 iterations. iteration 308: trace = 2.418489990653812 (0.0123084% change) linmin: converged after 5 iterations. iteration 309: trace = 2.418281992445798 (0.0086007% change) large trace change predicted (0.0215931%) linmin: converged after 6 iterations. iteration 310: trace = 2.417760276407096 (0.0215762% change) linmin: converged after 5 iterations. iteration 311: trace = 2.417435188649911 (0.0134467% change) linmin: converged after 6 iterations. iteration 312: trace = 2.416805750619196 (0.0260408% change) linmin: converged after 7 iterations. iteration 313: trace = 2.416320700337448 (0.0200719% change) linmin: converged after 5 iterations. iteration 314: trace = 2.416241788340399 (0.00326584% change) large trace change predicted (0.00695951%) linmin: converged after 4 iterations. iteration 315: trace = 2.416073670003391 (0.00695809% change) linmin: converged after 6 iterations. iteration 316: trace = 2.41601284513149 (0.00251754% change) linmin: converged after 4 iterations. iteration 317: trace = 2.415961263335417 (0.00213502% change) large trace change predicted (0.0043315%) linmin: converged after 7 iterations. iteration 318: trace = 2.415856617529764 (0.00433153% change) linmin: converged after 5 iterations. iteration 319: trace = 2.415830097387928 (0.00109776% change) large trace change predicted (0.00369501%) linmin: converged after 5 iterations. iteration 320: trace = 2.415740854367253 (0.00369416% change) linmin: converged after 5 iterations. iteration 321: trace = 2.415707298352126 (0.00138907% change) large trace change predicted (0.00444085%) linmin: converged after 3 iterations. iteration 322: trace = 2.415600078669746 (0.00443854% change) linmin: converged after 5 iterations. iteration 323: trace = 2.415491021179368 (0.00451482% change) linmin: converged after 5 iterations. iteration 324: trace = 2.415410490161924 (0.003334% change) linmin: converged after 4 iterations. iteration 325: trace = 2.415254944952951 (0.00643991% change) linmin: converged after 4 iterations. iteration 326: trace = 2.415046129890972 (0.00864605% change) linmin: converged after 3 iterations. iteration 327: trace = 2.414972277783549 (0.00305805% change) large trace change predicted (0.00705234%) linmin: converged after 4 iterations. iteration 328: trace = 2.41480187476109 (0.00705636% change) linmin: converged after 4 iterations. iteration 329: trace = 2.414693138410026 (0.00450301% change) linmin: converged after 4 iterations. iteration 330: trace = 2.414626182250977 (0.0027729% change) large trace change predicted (0.00596213%) linmin: converged after 5 iterations. iteration 331: trace = 2.41448221362451 (0.00596253% change) linmin: converged after 4 iterations. iteration 332: trace = 2.414448144180044 (0.00141106% change) large trace change predicted (0.00381542%) linmin: converged after 3 iterations. iteration 333: trace = 2.414356026994811 (0.00381532% change) linmin: converged after 4 iterations. iteration 334: trace = 2.414292217436085 (0.00264296% change) linmin: converged after 6 iterations. iteration 335: trace = 2.414274976961073 (0.000714103% change) linmin: converged after 5 iterations. iteration 336: trace = 2.41424749585838 (0.00113828% change) linmin: converged after 5 iterations. iteration 337: trace = 2.414228923824201 (0.000769271% change) linmin: converged after 5 iterations. iteration 338: trace = 2.414219112327275 (0.000406404% change) large trace change predicted (0.00175654%) linmin: converged after 5 iterations. iteration 339: trace = 2.414176701400069 (0.00175673% change) linmin: converged after 5 iterations. iteration 340: trace = 2.414164289373766 (0.000514132% change) large trace change predicted (0.00362285%) linmin: converged after 3 iterations. iteration 341: trace = 2.414076812566992 (0.00362355% change) linmin: converged after 5 iterations. iteration 342: trace = 2.41393565185639 (0.00584757% change) linmin: converged after 5 iterations. iteration 343: trace = 2.413841194268387 (0.00391309% change) large trace change predicted (0.0112809%) linmin: converged after 4 iterations. iteration 344: trace = 2.413568614311757 (0.011293% change) linmin: converged after 5 iterations. iteration 345: trace = 2.413477319728524 (0.00378263% change) large trace change predicted (0.0111679%) linmin: converged after 3 iterations. iteration 346: trace = 2.413207365570949 (0.0111859% change) linmin: converged after 5 iterations. iteration 347: trace = 2.413070580848645 (0.00566833% change) linmin: converged after 5 iterations. iteration 348: trace = 2.413030384099815 (0.00166581% change) linmin: converged after 3 iterations. iteration 349: trace = 2.412977344368873 (0.00219808% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.412958092376421 (0.000797855% change) linmin: converged after 4 iterations. iteration 351: trace = 2.412944186537388 (0.0005763% change) large trace change predicted (0.00115838%) linmin: converged after 5 iterations. iteration 352: trace = 2.412916241354624 (0.00115814% change) linmin: converged after 5 iterations. iteration 353: trace = 2.412898546131054 (0.000733357% change) linmin: converged after 4 iterations. iteration 354: trace = 2.41286590797486 (0.00135266% change) linmin: converged after 5 iterations. iteration 355: trace = 2.412838275273388 (0.00114523% change) linmin: converged after 8 iterations. iteration 356: trace = 2.412819378003956 (0.0007832% change) linmin: converged after 12 iterations. iteration 357: trace = 2.412787122255042 (0.00133686% change) linmin: converged after 5 iterations. iteration 358: trace = 2.412779151682144 (0.000330348% change) large trace change predicted (0.00077371%) linmin: converged after 4 iterations. iteration 359: trace = 2.412760484552215 (0.000773681% change) linmin: converged after 5 iterations. iteration 360: trace = 2.412735338182783 (0.00104223% change) linmin: converged after 7 iterations. iteration 361: trace = 2.4127183686781 (0.000703333% change) large trace change predicted (0.00185915%) linmin: converged after 6 iterations. iteration 362: trace = 2.412673508075089 (0.00185936% change) linmin: converged after 5 iterations. iteration 363: trace = 2.412653995667547 (0.00080875% change) large trace change predicted (0.00290444%) linmin: converged after 3 iterations. iteration 364: trace = 2.412583932793069 (0.00290402% change) linmin: converged after 5 iterations. iteration 365: trace = 2.412548947115566 (0.00145014% change) large trace change predicted (0.00300818%) linmin: converged after 4 iterations. iteration 366: trace = 2.412476403188062 (0.00300699% change) linmin: converged after 3 iterations. iteration 367: trace = 2.412401118052748 (0.00312071% change) linmin: converged after 5 iterations. iteration 368: trace = 2.412370979376927 (0.00124933% change) large trace change predicted (0.00294526%) linmin: converged after 5 iterations. iteration 369: trace = 2.412299940811616 (0.0029448% change) linmin: converged after 5 iterations. iteration 370: trace = 2.412281881316058 (0.000748645% change) linmin: converged after 5 iterations. iteration 371: trace = 2.412248577538592 (0.0013806% change) linmin: converged after 5 iterations. iteration 372: trace = 2.41223860759855 (0.000413306% change) linmin: converged after 6 iterations. iteration 373: trace = 2.412231359508706 (0.000300472% change) linmin: converged after 6 iterations. iteration 374: trace = 2.41222132841783 (0.000415844% change) linmin: converged after 5 iterations. iteration 375: trace = 2.412216242942324 (0.000210821% change) large trace change predicted (0.00072922%) linmin: converged after 5 iterations. iteration 376: trace = 2.412198649038367 (0.000729369% change) linmin: converged after 4 iterations. iteration 377: trace = 2.412178949939009 (0.000816648% change) linmin: converged after 5 iterations. iteration 378: trace = 2.41214855897637 (0.0012599% change) linmin: converged after 4 iterations. iteration 379: trace = 2.412104053526888 (0.00184507% change) linmin: converged after 3 iterations. iteration 380: trace = 2.412080240623456 (0.00098723% change) large trace change predicted (0.00246305%) linmin: converged after 6 iterations. iteration 381: trace = 2.412020807051376 (0.00246403% change) linmin: converged after 15 iterations. iteration 382: trace = 2.411973698873427 (0.00195308% change) linmin: converged after 4 iterations. iteration 383: trace = 2.411903871828019 (0.00289506% change) linmin: converged after 5 iterations. iteration 384: trace = 2.411801156507217 (0.00425877% change) linmin: converged after 6 iterations. iteration 385: trace = 2.411731816763695 (0.00287506% change) linmin: converged after 3 iterations. iteration 386: trace = 2.411598310239355 (0.00553587% change) linmin: converged after 4 iterations. iteration 387: trace = 2.411529071867097 (0.0028711% change) large trace change predicted (0.00740489%) linmin: converged after 5 iterations. iteration 388: trace = 2.411350480844088 (0.00740599% change) linmin: converged after 4 iterations. iteration 389: trace = 2.411233800911248 (0.0048389% change) linmin: converged after 5 iterations. iteration 390: trace = 2.411160048038394 (0.00305877% change) linmin: converged after 4 iterations. iteration 391: trace = 2.411071925929188 (0.00365483% change) linmin: converged after 5 iterations. iteration 392: trace = 2.411050622414977 (0.000883574% change) linmin: converged after 3 iterations. iteration 393: trace = 2.41101385150018 (0.00152511% change) linmin: converged after 3 iterations. iteration 394: trace = 2.410997394176545 (0.000682592% change) linmin: converged after 4 iterations. iteration 395: trace = 2.410977271535709 (0.000834622% change) linmin: converged after 5 iterations. iteration 396: trace = 2.410937309307222 (0.00165753% change) linmin: converged after 5 iterations. iteration 397: trace = 2.410918125106366 (0.000795719% change) large trace change predicted (0.00311544%) linmin: converged after 6 iterations. iteration 398: trace = 2.410842986991483 (0.00311663% change) linmin: converged after 5 iterations. iteration 399: trace = 2.41080973393768 (0.00137932% change) large trace change predicted (0.00291%) linmin: converged after 5 iterations. iteration 400: trace = 2.410739532115938 (0.002912% change) linmin: converged after 5 iterations. iteration 401: trace = 2.410664669274483 (0.00310544% change) linmin: converged after 5 iterations. iteration 402: trace = 2.410552887049915 (0.0046371% change) linmin: converged after 4 iterations. iteration 403: trace = 2.410349498574735 (0.00843778% change) linmin: converged after 5 iterations. iteration 404: trace = 2.410247467713317 (0.00423312% change) linmin: converged after 6 iterations. iteration 405: trace = 2.410109779272211 (0.00571279% change) linmin: converged after 5 iterations. iteration 406: trace = 2.410046036568734 (0.00264484% change) linmin: converged after 5 iterations. iteration 407: trace = 2.409960070641615 (0.00356705% change) linmin: converged after 4 iterations. iteration 408: trace = 2.409900657652954 (0.00246534% change) linmin: converged after 4 iterations. iteration 409: trace = 2.4098448769595 (0.00231467% change) linmin: converged after 5 iterations. iteration 410: trace = 2.409765691820529 (0.00328596% change) linmin: converged after 5 iterations. iteration 411: trace = 2.40972606929655 (0.00164426% change) linmin: converged after 5 iterations. iteration 412: trace = 2.409650066208098 (0.00315406% change) linmin: converged after 8 iterations. iteration 413: trace = 2.409606293325892 (0.00181658% change) linmin: converged after 5 iterations. iteration 414: trace = 2.409534386414847 (0.00298422% change) linmin: converged after 5 iterations. iteration 415: trace = 2.409470165137451 (0.00266533% change) linmin: converged after 5 iterations. iteration 416: trace = 2.409437705109584 (0.00134719% change) linmin: converged after 5 iterations. iteration 417: trace = 2.409387052082649 (0.0021023% change) linmin: converged after 8 iterations. iteration 418: trace = 2.409366453536216 (0.000854933% change) large trace change predicted (0.0022058%) linmin: converged after 5 iterations. iteration 419: trace = 2.409313296913291 (0.00220627% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.409287425703921 (0.00107381% change) linmin: converged after 5 iterations. iteration 421: trace = 2.409267190493871 (0.000839887% change) large trace change predicted (0.00196727%) linmin: converged after 6 iterations. iteration 422: trace = 2.409219801679697 (0.00196696% change) linmin: converged after 5 iterations. iteration 423: trace = 2.409204193177113 (0.000647868% change) large trace change predicted (0.00309081%) linmin: converged after 4 iterations. iteration 424: trace = 2.40912975131398 (0.00308994% change) linmin: converged after 4 iterations. iteration 425: trace = 2.409087094882162 (0.00177063% change) linmin: converged after 3 iterations. iteration 426: trace = 2.409046497537967 (0.00168519% change) linmin: converged after 5 iterations. iteration 427: trace = 2.408980518253521 (0.00273885% change) linmin: converged after 4 iterations. iteration 428: trace = 2.408951597724842 (0.00120054% change) linmin: converged after 5 iterations. iteration 429: trace = 2.408911712310085 (0.00165573% change) linmin: converged after 5 iterations. iteration 430: trace = 2.408857624651632 (0.00224534% change) linmin: converged after 5 iterations. iteration 431: trace = 2.408833758688919 (0.000990763% change) large trace change predicted (0.00345919%) linmin: converged after 5 iterations. iteration 432: trace = 2.408750489844308 (0.00345687% change) linmin: converged after 4 iterations. iteration 433: trace = 2.408723882556862 (0.00110462% change) large trace change predicted (0.00323725%) linmin: converged after 3 iterations. iteration 434: trace = 2.408645956803237 (0.0032352% change) linmin: converged after 3 iterations. iteration 435: trace = 2.40855904776062 (0.00360828% change) linmin: converged after 7 iterations. iteration 436: trace = 2.40852618076087 (0.0013646% change) large trace change predicted (0.00364536%) linmin: converged after 3 iterations. iteration 437: trace = 2.408438436829843 (0.00364312% change) linmin: converged after 5 iterations. iteration 438: trace = 2.408395811469374 (0.00176985% change) linmin: converged after 5 iterations. iteration 439: trace = 2.408354438275061 (0.00171789% change) linmin: converged after 5 iterations. iteration 440: trace = 2.408324265818377 (0.00125283% change) linmin: converged after 4 iterations. iteration 441: trace = 2.40831169627634 (0.000521922% change) linmin: converged after 3 iterations. iteration 442: trace = 2.40829053587938 (0.000878644% change) linmin: converged after 5 iterations. iteration 443: trace = 2.408267955796463 (0.000937602% change) linmin: converged after 5 iterations. iteration 444: trace = 2.408251629156538 (0.000677943% change) large trace change predicted (0.00177254%) linmin: converged after 4 iterations. iteration 445: trace = 2.408208935315483 (0.00177283% change) linmin: converged after 10 iterations. iteration 446: trace = 2.408188852947106 (0.000833917% change) large trace change predicted (0.00302169%) linmin: converged after 6 iterations. iteration 447: trace = 2.408116129935441 (0.00301987% change) linmin: converged after 7 iterations. iteration 448: trace = 2.40804441074114 (0.00297827% change) linmin: converged after 4 iterations. iteration 449: trace = 2.407969059358527 (0.0031292% change) linmin: converged after 6 iterations. iteration 450: trace = 2.40783290126076 (0.00565464% change) linmin: converged after 4 iterations. iteration 451: trace = 2.407787768231651 (0.00187444% change) large trace change predicted (0.00463887%) linmin: converged after 5 iterations. iteration 452: trace = 2.407676120668092 (0.00463704% change) linmin: converged after 4 iterations. iteration 453: trace = 2.407607314357823 (0.00285783% change) linmin: converged after 3 iterations. iteration 454: trace = 2.407564823508349 (0.00176487% change) linmin: converged after 4 iterations. iteration 455: trace = 2.407513187509442 (0.00214476% change) linmin: converged after 5 iterations. iteration 456: trace = 2.40749394583152 (0.000799238% change) linmin: converged after 4 iterations. iteration 457: trace = 2.407465317183599 (0.00118915% change) linmin: converged after 5 iterations. iteration 458: trace = 2.407435285463889 (0.00124745% change) linmin: converged after 5 iterations. iteration 459: trace = 2.407421231867624 (0.00058376% change) linmin: converged after 5 iterations. iteration 460: trace = 2.40739663858308 (0.00102157% change) linmin: converged after 8 iterations. iteration 461: trace = 2.407391869825743 (0.000198088% change) large trace change predicted (0.000405187%) linmin: converged after 4 iterations. iteration 462: trace = 2.407382117554732 (0.000405098% change) linmin: converged after 5 iterations. iteration 463: trace = 2.407371988739161 (0.000420741% change) linmin: converged after 6 iterations. iteration 464: trace = 2.407368323197194 (0.000152263% change) large trace change predicted (0.000819017%) linmin: converged after 5 iterations. iteration 465: trace = 2.407348608001826 (0.000818956% change) linmin: converged after 5 iterations. iteration 466: trace = 2.407320938714247 (0.00114937% change) linmin: converged after 10 iterations. iteration 467: trace = 2.407297733660633 (0.000963941% change) large trace change predicted (0.00228594%) linmin: converged after 5 iterations. iteration 468: trace = 2.407242723373789 (0.00228517% change) linmin: converged after 8 iterations. iteration 469: trace = 2.40720654781344 (0.00150279% change) linmin: converged after 5 iterations. iteration 470: trace = 2.407146306511494 (0.00250257% change) linmin: converged after 5 iterations. iteration 471: trace = 2.407082264152309 (0.00266055% change) linmin: converged after 5 iterations. iteration 472: trace = 2.407055848581008 (0.00109742% change) large trace change predicted (0.00355969%) linmin: converged after 5 iterations. iteration 473: trace = 2.406970224177726 (0.00355729% change) linmin: converged after 8 iterations. iteration 474: trace = 2.406956562906117 (0.000567573% change) large trace change predicted (0.0017044%) linmin: converged after 3 iterations. iteration 475: trace = 2.406915548994534 (0.00170399% change) linmin: converged after 7 iterations. iteration 476: trace = 2.406896101819472 (0.000807974% change) linmin: converged after 7 iterations. iteration 477: trace = 2.406882530887512 (0.000563837% change) linmin: converged after 6 iterations. iteration 478: trace = 2.406855988103139 (0.00110279% change) linmin: converged after 7 iterations. iteration 479: trace = 2.406843128840322 (0.000534278% change) large trace change predicted (0.00111275%) linmin: converged after 5 iterations. iteration 480: trace = 2.406816356440344 (0.00111235% change) linmin: converged after 9 iterations. iteration 481: trace = 2.40679921446282 (0.000712229% change) linmin: converged after 4 iterations. iteration 482: trace = 2.406787672923606 (0.00047954% change) linmin: converged after 5 iterations. iteration 483: trace = 2.406766457621487 (0.000881482% change) linmin: converged after 6 iterations. iteration 484: trace = 2.40675655400014 (0.000411492% change) linmin: converged after 4 iterations. iteration 485: trace = 2.406743704842799 (0.00053388% change) linmin: converged after 8 iterations. iteration 486: trace = 2.406726019593901 (0.000734823% change) linmin: converged after 5 iterations. iteration 487: trace = 2.406709523673084 (0.000685412% change) large trace change predicted (0.00224017%) linmin: converged after 3 iterations. iteration 488: trace = 2.406655634442125 (0.00223915% change) linmin: converged after 5 iterations. iteration 489: trace = 2.406607921499178 (0.00198256% change) resetting CG direction... linmin: converged after 6 iterations. iteration 490: trace = 2.406577353469841 (0.00127018% change) linmin: converged after 3 iterations. iteration 491: trace = 2.406535606840011 (0.0017347% change) linmin: converged after 5 iterations. iteration 492: trace = 2.406515557267451 (0.000833134% change) linmin: converged after 5 iterations. iteration 493: trace = 2.406494854422019 (0.000860287% change) linmin: converged after 5 iterations. iteration 494: trace = 2.40648216873415 (0.000527145% change) linmin: converged after 4 iterations. iteration 495: trace = 2.406469747133563 (0.000516174% change) linmin: converged after 3 iterations. iteration 496: trace = 2.406458604675681 (0.000463022% change) linmin: converged after 5 iterations. iteration 497: trace = 2.40644924364477 (0.000388997% change) linmin: converged after 5 iterations. iteration 498: trace = 2.406436362949932 (0.000535259% change) linmin: converged after 5 iterations. iteration 499: trace = 2.406425912722062 (0.000434262% change) linmin: converged after 8 iterations. iteration 500: trace = 2.406408206195094 (0.000735805% change) linmin: converged after 5 iterations. iteration 501: trace = 2.406399831903613 (0.000348% change) large trace change predicted (0.00102533%) linmin: converged after 4 iterations. iteration 502: trace = 2.406375162572453 (0.00102516% change) linmin: converged after 6 iterations. iteration 503: trace = 2.406368754749756 (0.000266286% change) large trace change predicted (0.000956394%) linmin: converged after 6 iterations. iteration 504: trace = 2.40634574424264 (0.000956238% change) linmin: converged after 5 iterations. iteration 505: trace = 2.40633634165313 (0.000390742% change) large trace change predicted (0.00104053%) linmin: converged after 7 iterations. iteration 506: trace = 2.406311303663279 (0.00104051% change) linmin: converged after 3 iterations. iteration 507: trace = 2.406282012293107 (0.00121728% change) linmin: converged after 6 iterations. iteration 508: trace = 2.406252394795445 (0.00123085% change) large trace change predicted (0.00287277%) linmin: converged after 3 iterations. iteration 509: trace = 2.406183275736447 (0.00287252% change) linmin: converged after 5 iterations. iteration 510: trace = 2.406167799963178 (0.000643169% change) large trace change predicted (0.00310487%) linmin: converged after 3 iterations. iteration 511: trace = 2.406093092633135 (0.00310487% change) linmin: converged after 6 iterations. iteration 512: trace = 2.40606550935689 (0.0011464% change) linmin: converged after 4 iterations. iteration 513: trace = 2.406030763884062 (0.00144409% change) linmin: converged after 5 iterations. iteration 514: trace = 2.405985200000722 (0.00189375% change) linmin: converged after 6 iterations. iteration 515: trace = 2.405977083049585 (0.000337366% change) large trace change predicted (0.000846986%) linmin: converged after 5 iterations. iteration 516: trace = 2.405956703960279 (0.000847023% change) linmin: converged after 5 iterations. iteration 517: trace = 2.405948889548555 (0.000324795% change) linmin: converged after 4 iterations. iteration 518: trace = 2.405942061190459 (0.000283812% change) linmin: converged after 6 iterations. iteration 519: trace = 2.405932907864458 (0.000380447% change) linmin: converged after 4 iterations. iteration 520: trace = 2.405927320727572 (0.000232224% change) large trace change predicted (0.000801157%) linmin: converged after 3 iterations. iteration 521: trace = 2.405908049116966 (0.000801009% change) linmin: converged after 3 iterations. iteration 522: trace = 2.405888764793276 (0.000801544% change) linmin: converged after 5 iterations. iteration 523: trace = 2.405870443131441 (0.000761537% change) large trace change predicted (0.00173729%) linmin: converged after 5 iterations. iteration 524: trace = 2.405828663686648 (0.00173658% change) linmin: converged after 3 iterations. iteration 525: trace = 2.405806952981375 (0.000902425% change) large trace change predicted (0.00211944%) linmin: converged after 5 iterations. iteration 526: trace = 2.405755987820135 (0.00211845% change) linmin: converged after 4 iterations. iteration 527: trace = 2.405709075327722 (0.00195003% change) linmin: converged after 8 iterations. iteration 528: trace = 2.405669623857619 (0.00163992% change) large trace change predicted (0.00463582%) linmin: converged after 5 iterations. iteration 529: trace = 2.405558119950058 (0.00463515% change) linmin: converged after 5 iterations. iteration 530: trace = 2.405513842306455 (0.00184066% change) large trace change predicted (0.00507465%) linmin: converged after 3 iterations. iteration 531: trace = 2.405391805640254 (0.00507333% change) linmin: converged after 5 iterations. iteration 532: trace = 2.405302776466054 (0.0037013% change) linmin: converged after 6 iterations. iteration 533: trace = 2.405225670469314 (0.00320572% change) linmin: converged after 5 iterations. iteration 534: trace = 2.405125384558691 (0.00416959% change) linmin: converged after 4 iterations. iteration 535: trace = 2.405094607781826 (0.00127964% change) large trace change predicted (0.00304987%) linmin: converged after 9 iterations. iteration 536: trace = 2.405021257228067 (0.00304985% change) linmin: converged after 4 iterations. iteration 537: trace = 2.405009384037696 (0.000493685% change) large trace change predicted (0.00132184%) linmin: converged after 4 iterations. iteration 538: trace = 2.404977586892497 (0.00132213% change) linmin: converged after 6 iterations. iteration 539: trace = 2.404959988643492 (0.000731745% change) linmin: converged after 5 iterations. iteration 540: trace = 2.404946988248541 (0.000540567% change) large trace change predicted (0.0015967%) linmin: converged after 5 iterations. iteration 541: trace = 2.404908573238 (0.00159735% change) linmin: converged after 6 iterations. iteration 542: trace = 2.404896154483712 (0.000516393% change) large trace change predicted (0.00287666%) linmin: converged after 4 iterations. iteration 543: trace = 2.404826963510332 (0.00287713% change) linmin: converged after 6 iterations. iteration 544: trace = 2.404787406254018 (0.00164492% change) linmin: converged after 5 iterations. iteration 545: trace = 2.404736044893518 (0.00213582% change) large trace change predicted (0.00443929%) linmin: converged after 3 iterations. iteration 546: trace = 2.404629294934921 (0.00443925% change) linmin: converged after 6 iterations. iteration 547: trace = 2.4045845791738 (0.00185959% change) large trace change predicted (0.00466007%) linmin: converged after 4 iterations. iteration 548: trace = 2.404472586290214 (0.00465758% change) linmin: converged after 6 iterations. iteration 549: trace = 2.404434488341275 (0.00158447% change) large trace change predicted (0.00443587%) linmin: converged after 4 iterations. iteration 550: trace = 2.404327823952165 (0.00443625% change) linmin: converged after 4 iterations. iteration 551: trace = 2.404304216127492 (0.000981894% change) large trace change predicted (0.00258222%) linmin: converged after 7 iterations. iteration 552: trace = 2.404242123612877 (0.00258259% change) linmin: converged after 12 iterations. iteration 553: trace = 2.404215922729015 (0.00108978% change) linmin: converged after 5 iterations. iteration 554: trace = 2.404164655472735 (0.00213241% change) linmin: converged after 5 iterations. iteration 555: trace = 2.404122910393553 (0.00173638% change) linmin: converged after 4 iterations. iteration 556: trace = 2.404058275216116 (0.00268855% change) linmin: converged after 8 iterations. iteration 557: trace = 2.404006846623001 (0.00213926% change) linmin: converged after 5 iterations. iteration 558: trace = 2.403950806811292 (0.00233113% change) linmin: converged after 6 iterations. iteration 559: trace = 2.403897883883366 (0.00220152% change) resetting CG direction... linmin: converged after 6 iterations. iteration 560: trace = 2.403878736992528 (0.000796497% change) linmin: converged after 4 iterations. iteration 561: trace = 2.403846928345224 (0.00132323% change) linmin: converged after 6 iterations. iteration 562: trace = 2.403824804924251 (0.000920338% change) linmin: converged after 4 iterations. iteration 563: trace = 2.40380664787852 (0.000755343% change) large trace change predicted (0.00190861%) linmin: converged after 4 iterations. iteration 564: trace = 2.403760773619517 (0.00190842% change) linmin: converged after 6 iterations. iteration 565: trace = 2.403736551598012 (0.00100768% change) large trace change predicted (0.00387845%) linmin: converged after 4 iterations. iteration 566: trace = 2.403643348766122 (0.00387749% change) linmin: converged after 7 iterations. iteration 567: trace = 2.403544438471036 (0.0041151% change) linmin: converged after 4 iterations. iteration 568: trace = 2.40348158036816 (0.00261526% change) linmin: converged after 7 iterations. iteration 569: trace = 2.403363671687726 (0.00490587% change) linmin: converged after 5 iterations. iteration 570: trace = 2.403297018360325 (0.00277337% change) linmin: converged after 5 iterations. iteration 571: trace = 2.403255147059998 (0.00174226% change) linmin: converged after 6 iterations. iteration 572: trace = 2.40317455990013 (0.00335331% change) linmin: converged after 6 iterations. iteration 573: trace = 2.403154186498361 (0.000847774% change) large trace change predicted (0.00360817%) linmin: converged after 4 iterations. iteration 574: trace = 2.4030674909499 (0.00360764% change) linmin: converged after 4 iterations. iteration 575: trace = 2.403012650267774 (0.00228214% change) linmin: converged after 3 iterations. iteration 576: trace = 2.402962873066075 (0.00207147% change) linmin: converged after 3 iterations. iteration 577: trace = 2.402919977614044 (0.00178512% change) linmin: converged after 4 iterations. iteration 578: trace = 2.402896733822861 (0.000967319% change) large trace change predicted (0.00204625%) linmin: converged after 5 iterations. iteration 579: trace = 2.402847577715611 (0.00204572% change) linmin: converged after 4 iterations. iteration 580: trace = 2.402807033410863 (0.00168736% change) linmin: converged after 3 iterations. iteration 581: trace = 2.402777532535984 (0.00122777% change) linmin: converged after 3 iterations. iteration 582: trace = 2.402739930900951 (0.00156494% change) linmin: converged after 5 iterations. iteration 583: trace = 2.402720125343526 (0.000824294% change) linmin: converged after 4 iterations. iteration 584: trace = 2.402687763069366 (0.00134691% change) large trace change predicted (0.00290311%) linmin: converged after 5 iterations. iteration 585: trace = 2.402618052886326 (0.00290138% change) linmin: converged after 5 iterations. iteration 586: trace = 2.402590772605703 (0.00113545% change) large trace change predicted (0.00576794%) linmin: converged after 9 iterations. iteration 587: trace = 2.402452368751609 (0.00576077% change) linmin: converged after 3 iterations. iteration 588: trace = 2.402340839589299 (0.00464241% change) linmin: converged after 7 iterations. iteration 589: trace = 2.402226500440043 (0.0047596% change) linmin: converged after 5 iterations. iteration 590: trace = 2.402094160427195 (0.00550921% change) linmin: converged after 4 iterations. iteration 591: trace = 2.402028738734665 (0.00272356% change) linmin: converged after 8 iterations. iteration 592: trace = 2.40193632985058 (0.00384719% change) linmin: converged after 5 iterations. iteration 593: trace = 2.401875892730049 (0.00251621% change) linmin: converged after 12 iterations. iteration 594: trace = 2.40185769126464 (0.000757805% change) large trace change predicted (0.00158397%) linmin: converged after 4 iterations. iteration 595: trace = 2.401819651080237 (0.00158379% change) linmin: converged after 3 iterations. iteration 596: trace = 2.401807708348334 (0.000497238% change) linmin: converged after 4 iterations. iteration 597: trace = 2.401792593061487 (0.000629332% change) linmin: converged after 5 iterations. iteration 598: trace = 2.401768947664185 (0.000984494% change) linmin: converged after 6 iterations. iteration 599: trace = 2.401762216460676 (0.000280261% change) large trace change predicted (0.00105261%) linmin: converged after 3 iterations. iteration 600: trace = 2.4017369389012 (0.00105246% change) linmin: converged after 6 iterations. iteration 601: trace = 2.401727062384461 (0.000411225% change) linmin: converged after 5 iterations. iteration 602: trace = 2.401714255105116 (0.000533254% change) linmin: converged after 4 iterations. iteration 603: trace = 2.4016968970432 (0.000722739% change) linmin: converged after 6 iterations. iteration 604: trace = 2.401688806682655 (0.000336861% change) large trace change predicted (0.00113936%) linmin: converged after 7 iterations. iteration 605: trace = 2.401661449259016 (0.0011391% change) linmin: converged after 4 iterations. iteration 606: trace = 2.401620882925068 (0.00168911% change) linmin: converged after 13 iterations. iteration 607: trace = 2.401575027100097 (0.00190939% change) large trace change predicted (0.00394296%) linmin: converged after 3 iterations. iteration 608: trace = 2.401480388969659 (0.00394075% change) linmin: converged after 5 iterations. iteration 609: trace = 2.401406990288653 (0.00305644% change) linmin: converged after 8 iterations. iteration 610: trace = 2.401317376248728 (0.0037318% change) linmin: converged after 5 iterations. iteration 611: trace = 2.401245887182211 (0.00297712% change) linmin: converged after 5 iterations. iteration 612: trace = 2.401228773172378 (0.000712716% change) large trace change predicted (0.00156302%) linmin: converged after 5 iterations. iteration 613: trace = 2.4011912330083 (0.00156339% change) linmin: converged after 5 iterations. iteration 614: trace = 2.401176877196626 (0.000597864% change) linmin: converged after 6 iterations. iteration 615: trace = 2.401157429605223 (0.000809922% change) linmin: converged after 5 iterations. iteration 616: trace = 2.401137025417903 (0.000849768% change) linmin: converged after 5 iterations. iteration 617: trace = 2.401129955714504 (0.000294432% change) large trace change predicted (0.000844026%) linmin: converged after 4 iterations. iteration 618: trace = 2.401109689483699 (0.000844032% change) linmin: converged after 5 iterations. iteration 619: trace = 2.401091065937965 (0.000775625% change) linmin: converged after 5 iterations. iteration 620: trace = 2.401073869481546 (0.000716196% change) linmin: converged after 5 iterations. iteration 621: trace = 2.401045611149328 (0.00117691% change) linmin: converged after 5 iterations. iteration 622: trace = 2.401024789401927 (0.000867199% change) linmin: converged after 7 iterations. iteration 623: trace = 2.400985585103309 (0.00163283% change) linmin: converged after 5 iterations. iteration 624: trace = 2.400950516491264 (0.0014606% change) linmin: converged after 6 iterations. iteration 625: trace = 2.400921724514769 (0.0011992% change) large trace change predicted (0.00442853%) linmin: converged after 5 iterations. iteration 626: trace = 2.400815436912767 (0.00442705% change) linmin: converged after 5 iterations. iteration 627: trace = 2.400758891856712 (0.00235527% change) linmin: converged after 4 iterations. iteration 628: trace = 2.400674889902897 (0.00349904% change) linmin: converged after 5 iterations. iteration 629: trace = 2.400539021663387 (0.00565975% change) resetting CG direction... linmin: converged after 6 iterations. iteration 630: trace = 2.400448940520251 (0.00375261% change) linmin: converged after 8 iterations. iteration 631: trace = 2.400371093998 (0.00324305% change) linmin: converged after 5 iterations. iteration 632: trace = 2.40029571307695 (0.00314044% change) linmin: converged after 5 iterations. iteration 633: trace = 2.400212714335126 (0.00345791% change) linmin: converged after 4 iterations. iteration 634: trace = 2.40014741730044 (0.00272051% change) linmin: converged after 3 iterations. iteration 635: trace = 2.400133591440214 (0.000576044% change) large trace change predicted (0.00171384%) linmin: converged after 5 iterations. iteration 636: trace = 2.40009246268975 (0.00171362% change) linmin: converged after 5 iterations. iteration 637: trace = 2.400072356913596 (0.000837712% change) linmin: converged after 5 iterations. iteration 638: trace = 2.400056653307066 (0.000654299% change) linmin: converged after 3 iterations. iteration 639: trace = 2.400032143309593 (0.00102123% change) linmin: converged after 5 iterations. iteration 640: trace = 2.40002288274058 (0.000385853% change) large trace change predicted (0.000883049%) linmin: converged after 13 iterations. iteration 641: trace = 2.400001691594345 (0.00088296% change) linmin: converged after 4 iterations. iteration 642: trace = 2.399982044273439 (0.000818641% change) linmin: converged after 4 iterations. iteration 643: trace = 2.399976069778171 (0.000248939% change) large trace change predicted (0.0010033%) linmin: converged after 3 iterations. iteration 644: trace = 2.399951987441472 (0.00100345% change) linmin: converged after 8 iterations. iteration 645: trace = 2.39993237997668 (0.000816997% change) linmin: converged after 5 iterations. iteration 646: trace = 2.399910671704903 (0.000904541% change) large trace change predicted (0.00251589%) linmin: converged after 3 iterations. iteration 647: trace = 2.399850284857141 (0.00251624% change) linmin: converged after 5 iterations. iteration 648: trace = 2.399829116036321 (0.000882093% change) large trace change predicted (0.00376049%) linmin: converged after 4 iterations. iteration 649: trace = 2.399738897782539 (0.00375943% change) linmin: converged after 4 iterations. iteration 650: trace = 2.399670075442045 (0.00286795% change) linmin: converged after 5 iterations. iteration 651: trace = 2.399601011617795 (0.0028781% change) linmin: converged after 5 iterations. iteration 652: trace = 2.399548364891094 (0.002194% change) linmin: converged after 4 iterations. iteration 653: trace = 2.399520651546327 (0.00115495% change) linmin: converged after 3 iterations. iteration 654: trace = 2.399494804205672 (0.00107719% change) linmin: converged after 5 iterations. iteration 655: trace = 2.399480070121222 (0.000614051% change) linmin: converged after 6 iterations. iteration 656: trace = 2.399470795435928 (0.00038653% change) linmin: converged after 3 iterations. iteration 657: trace = 2.399454389865875 (0.000683719% change) linmin: converged after 3 iterations. iteration 658: trace = 2.399445758108693 (0.000359739% change) linmin: converged after 4 iterations. iteration 659: trace = 2.399429786331971 (0.000665647% change) linmin: converged after 4 iterations. iteration 660: trace = 2.399407385281236 (0.000933603% change) linmin: converged after 5 iterations. iteration 661: trace = 2.399400282885068 (0.000296007% change) large trace change predicted (0.00109265%) linmin: converged after 4 iterations. iteration 662: trace = 2.399374067441653 (0.00109259% change) linmin: converged after 2 iterations. iteration 663: trace = 2.399347448526156 (0.00110942% change) linmin: converged after 5 iterations. iteration 664: trace = 2.399318769618348 (0.00119529% change) linmin: converged after 3 iterations. iteration 665: trace = 2.399261852897858 (0.00237223% change) linmin: converged after 5 iterations. iteration 666: trace = 2.399224078485799 (0.00157443% change) linmin: converged after 6 iterations. iteration 667: trace = 2.399149865363118 (0.00309326% change) linmin: converged after 4 iterations. iteration 668: trace = 2.399045479083078 (0.00435106% change) linmin: converged after 5 iterations. iteration 669: trace = 2.398983133645272 (0.00259879% change) large trace change predicted (0.00770133%) linmin: converged after 6 iterations. iteration 670: trace = 2.398798508777453 (0.00769626% change) linmin: converged after 4 iterations. iteration 671: trace = 2.398750961747214 (0.00198214% change) linmin: converged after 5 iterations. iteration 672: trace = 2.398656098098674 (0.00395479% change) linmin: converged after 5 iterations. iteration 673: trace = 2.398623906945157 (0.00134206% change) linmin: converged after 4 iterations. iteration 674: trace = 2.398590914172487 (0.0013755% change) linmin: converged after 5 iterations. iteration 675: trace = 2.398551154052113 (0.00165766% change) linmin: converged after 5 iterations. iteration 676: trace = 2.398538875067128 (0.000511935% change) large trace change predicted (0.00181828%) linmin: converged after 5 iterations. iteration 677: trace = 2.398495268381243 (0.00181807% change) linmin: converged after 3 iterations. iteration 678: trace = 2.398483221762058 (0.000502259% change) large trace change predicted (0.00130369%) linmin: converged after 3 iterations. iteration 679: trace = 2.398451938659577 (0.0013043% change) linmin: converged after 6 iterations. iteration 680: trace = 2.398417031338629 (0.00145542% change) linmin: converged after 5 iterations. iteration 681: trace = 2.398395109550561 (0.000914015% change) large trace change predicted (0.00298605%) linmin: converged after 8 iterations. iteration 682: trace = 2.398323449625818 (0.00298787% change) linmin: converged after 7 iterations. iteration 683: trace = 2.398292693103413 (0.00128243% change) large trace change predicted (0.00328961%) linmin: converged after 4 iterations. iteration 684: trace = 2.398213734195218 (0.00329235% change) linmin: converged after 4 iterations. iteration 685: trace = 2.398151947224186 (0.00257641% change) linmin: converged after 4 iterations. iteration 686: trace = 2.398116045969583 (0.00149705% change) linmin: converged after 4 iterations. iteration 687: trace = 2.398057448788226 (0.0024435% change) linmin: converged after 6 iterations. iteration 688: trace = 2.398025803033653 (0.00131965% change) linmin: converged after 3 iterations. iteration 689: trace = 2.397968309028343 (0.00239758% change) linmin: converged after 5 iterations. iteration 690: trace = 2.397902171888899 (0.00275809% change) linmin: converged after 4 iterations. iteration 691: trace = 2.397833284827112 (0.00287285% change) linmin: converged after 4 iterations. iteration 692: trace = 2.397760860037896 (0.00302047% change) linmin: converged after 4 iterations. iteration 693: trace = 2.397733520417618 (0.00114022% change) linmin: converged after 4 iterations. iteration 694: trace = 2.397694622929557 (0.00162227% change) linmin: converged after 5 iterations. iteration 695: trace = 2.39767835630367 (0.00067843% change) linmin: converged after 4 iterations. iteration 696: trace = 2.397661745955241 (0.00069277% change) linmin: converged after 4 iterations. iteration 697: trace = 2.397645132146407 (0.00069292% change) linmin: converged after 5 iterations. iteration 698: trace = 2.397638068288229 (0.000294617% change) large trace change predicted (0.00165669%) linmin: converged after 5 iterations. iteration 699: trace = 2.397598347211788 (0.00165669% change) resetting CG direction... linmin: converged after 7 iterations. iteration 700: trace = 2.39758239410961 (0.000665381% change) linmin: converged after 5 iterations. iteration 701: trace = 2.397560443954596 (0.000915516% change) linmin: converged after 3 iterations. iteration 702: trace = 2.397545454380746 (0.000625203% change) linmin: converged after 6 iterations. iteration 703: trace = 2.397538502714289 (0.00028995% change) large trace change predicted (0.00101637%) linmin: converged after 4 iterations. iteration 704: trace = 2.397514137251211 (0.00101628% change) linmin: converged after 5 iterations. iteration 705: trace = 2.397487682420538 (0.00110343% change) linmin: converged after 5 iterations. iteration 706: trace = 2.397462487788958 (0.00105088% change) large trace change predicted (0.00331332%) linmin: converged after 6 iterations. iteration 707: trace = 2.397383085367669 (0.00331199% change) linmin: converged after 4 iterations. iteration 708: trace = 2.397357524252455 (0.00106621% change) large trace change predicted (0.0028161%) linmin: converged after 3 iterations. iteration 709: trace = 2.397290013001008 (0.00281611% change) linmin: converged after 4 iterations. iteration 710: trace = 2.397218757445285 (0.00297238% change) linmin: converged after 4 iterations. iteration 711: trace = 2.397199565464883 (0.000800597% change) large trace change predicted (0.00324724%) linmin: converged after 3 iterations. iteration 712: trace = 2.397121751801342 (0.00324608% change) linmin: converged after 6 iterations. iteration 713: trace = 2.397095605362654 (0.00109075% change) large trace change predicted (0.00230687%) linmin: converged after 5 iterations. iteration 714: trace = 2.397040332562358 (0.00230585% change) linmin: converged after 3 iterations. iteration 715: trace = 2.396987519520442 (0.00220328% change) linmin: converged after 4 iterations. iteration 716: trace = 2.396960538556553 (0.00112563% change) linmin: converged after 8 iterations. iteration 717: trace = 2.396910801167665 (0.00207504% change) linmin: converged after 5 iterations. iteration 718: trace = 2.396865981324696 (0.00186992% change) linmin: converged after 5 iterations. iteration 719: trace = 2.396844753180099 (0.000885666% change) linmin: converged after 3 iterations. iteration 720: trace = 2.396807971416041 (0.0015346% change) linmin: converged after 4 iterations. iteration 721: trace = 2.396794629674081 (0.000556648% change) linmin: converged after 5 iterations. iteration 722: trace = 2.396769430129229 (0.00105139% change) linmin: converged after 6 iterations. iteration 723: trace = 2.396746799016373 (0.000944238% change) linmin: converged after 5 iterations. iteration 724: trace = 2.396737231229561 (0.0003992% change) large trace change predicted (0.00148121%) linmin: converged after 3 iterations. iteration 725: trace = 2.396701734334349 (0.00148106% change) linmin: converged after 4 iterations. iteration 726: trace = 2.396684811167906 (0.000706105% change) large trace change predicted (0.00257885%) linmin: converged after 3 iterations. iteration 727: trace = 2.396623013363413 (0.0025785% change) linmin: converged after 5 iterations. iteration 728: trace = 2.396562471766473 (0.00252615% change) linmin: converged after 4 iterations. iteration 729: trace = 2.396485807362582 (0.00319898% change) linmin: converged after 4 iterations. iteration 730: trace = 2.396398629990256 (0.00363778% change) linmin: converged after 5 iterations. iteration 731: trace = 2.396364140161586 (0.00143925% change) large trace change predicted (0.00343283%) linmin: converged after 4 iterations. iteration 732: trace = 2.396281906195748 (0.00343167% change) linmin: converged after 5 iterations. iteration 733: trace = 2.396257498895117 (0.00101855% change) large trace change predicted (0.00238498%) linmin: converged after 5 iterations. iteration 734: trace = 2.396200374211696 (0.00238394% change) linmin: converged after 3 iterations. iteration 735: trace = 2.396187510478526 (0.00053684% change) large trace change predicted (0.0010834%) linmin: converged after 4 iterations. iteration 736: trace = 2.396161559473703 (0.00108302% change) linmin: converged after 6 iterations. iteration 737: trace = 2.3961481230029 (0.000560751% change) linmin: converged after 9 iterations. iteration 738: trace = 2.396141443781758 (0.000278749% change) large trace change predicted (0.000670855%) linmin: converged after 5 iterations. iteration 739: trace = 2.396125373143394 (0.00067069% change) linmin: converged after 5 iterations. iteration 740: trace = 2.396120352721215 (0.000209523% change) large trace change predicted (0.000748139%) linmin: converged after 10 iterations. iteration 741: trace = 2.396102427987452 (0.000748076% change) linmin: converged after 8 iterations. iteration 742: trace = 2.396097685709103 (0.000197917% change) linmin: converged after 4 iterations. iteration 743: trace = 2.39608858187457 (0.000379945% change) linmin: converged after 4 iterations. iteration 744: trace = 2.396080477902917 (0.000338217% change) linmin: converged after 5 iterations. iteration 745: trace = 2.396075994320579 (0.000187122% change) large trace change predicted (0.000530055%) linmin: converged after 7 iterations. iteration 746: trace = 2.396063294660862 (0.00053002% change) linmin: converged after 5 iterations. iteration 747: trace = 2.39605513662636 (0.000340477% change) large trace change predicted (0.00128155%) linmin: converged after 4 iterations. iteration 748: trace = 2.39602443907263 (0.00128118% change) linmin: converged after 8 iterations. iteration 749: trace = 2.396006591380845 (0.00074489% change) large trace change predicted (0.00186507%) linmin: converged after 5 iterations. iteration 750: trace = 2.395961906998437 (0.00186497% change) linmin: converged after 8 iterations. iteration 751: trace = 2.395927109489925 (0.00145235% change) linmin: converged after 7 iterations. iteration 752: trace = 2.395890786887048 (0.00151603% change) linmin: converged after 8 iterations. iteration 753: trace = 2.395866619214188 (0.00100872% change) linmin: converged after 4 iterations. iteration 754: trace = 2.395835828704396 (0.00128516% change) linmin: converged after 7 iterations. iteration 755: trace = 2.395818046340084 (0.000742222% change) linmin: converged after 6 iterations. iteration 756: trace = 2.395795347878103 (0.000947425% change) linmin: converged after 6 iterations. iteration 757: trace = 2.395778228352431 (0.000714568% change) linmin: converged after 3 iterations. iteration 758: trace = 2.395769799862759 (0.000351807% change) linmin: converged after 7 iterations. iteration 759: trace = 2.395759081764716 (0.000447377% change) linmin: converged after 3 iterations. iteration 760: trace = 2.39575280926562 (0.000261817% change) linmin: converged after 5 iterations. iteration 761: trace = 2.39574707387441 (0.000239399% change) linmin: converged after 5 iterations. iteration 762: trace = 2.395737719989556 (0.000390438% change) linmin: converged after 5 iterations. iteration 763: trace = 2.395733826987011 (0.000162497% change) large trace change predicted (0.000701611%) linmin: converged after 8 iterations. iteration 764: trace = 2.395717020918321 (0.000701502% change) linmin: converged after 3 iterations. iteration 765: trace = 2.395713145706522 (0.000161756% change) large trace change predicted (0.000956725%) linmin: converged after 5 iterations. iteration 766: trace = 2.395690221195577 (0.000956902% change) linmin: converged after 8 iterations. iteration 767: trace = 2.395682105396979 (0.000338767% change) large trace change predicted (0.000729102%) linmin: converged after 4 iterations. iteration 768: trace = 2.395664636191873 (0.000729198% change) linmin: converged after 5 iterations. iteration 769: trace = 2.395652041868552 (0.000525715% change) resetting CG direction... linmin: converged after 5 iterations. iteration 770: trace = 2.395642452366607 (0.000400289% change) linmin: converged after 9 iterations. iteration 771: trace = 2.395629260225946 (0.000550674% change) linmin: converged after 3 iterations. iteration 772: trace = 2.395618048162598 (0.000468023% change) linmin: converged after 5 iterations. iteration 773: trace = 2.395610174871793 (0.000328654% change) linmin: converged after 3 iterations. iteration 774: trace = 2.395596566662333 (0.000568049% change) linmin: converged after 6 iterations. iteration 775: trace = 2.395590051652562 (0.000271958% change) large trace change predicted (0.000806528%) linmin: converged after 6 iterations. iteration 776: trace = 2.395570730932862 (0.000806515% change) linmin: converged after 5 iterations. iteration 777: trace = 2.395565290115732 (0.00022712% change) large trace change predicted (0.000498756%) linmin: converged after 4 iterations. iteration 778: trace = 2.395553340709094 (0.000498815% change) linmin: converged after 4 iterations. iteration 779: trace = 2.39554568390412 (0.000319626% change) linmin: converged after 17 iterations. iteration 780: trace = 2.395541431298903 (0.000177522% change) large trace change predicted (0.00049215%) linmin: converged after 4 iterations. iteration 781: trace = 2.395529642298953 (0.000492124% change) linmin: converged after 4 iterations. iteration 782: trace = 2.395525068614838 (0.000190926% change) large trace change predicted (0.00079864%) linmin: converged after 3 iterations. iteration 783: trace = 2.395505939577015 (0.000798535% change) linmin: converged after 6 iterations. iteration 784: trace = 2.395495457574481 (0.00043757% change) large trace change predicted (0.00153707%) linmin: converged after 4 iterations. iteration 785: trace = 2.395458640239006 (0.00153695% change) linmin: converged after 5 iterations. iteration 786: trace = 2.395426780773616 (0.00133% change) linmin: converged after 6 iterations. iteration 787: trace = 2.395395614327688 (0.00130109% change) linmin: converged after 4 iterations. iteration 788: trace = 2.395347753316066 (0.00199806% change) linmin: converged after 15 iterations. iteration 789: trace = 2.395336200484313 (0.000482304% change) large trace change predicted (0.00110779%) linmin: converged after 5 iterations. iteration 790: trace = 2.395309659115983 (0.00110805% change) linmin: converged after 5 iterations. iteration 791: trace = 2.395305541536678 (0.000171902% change) large trace change predicted (0.000426853%) linmin: converged after 4 iterations. iteration 792: trace = 2.395295317112858 (0.000426854% change) linmin: converged after 6 iterations. iteration 793: trace = 2.395291607935198 (0.000154853% change) linmin: converged after 4 iterations. iteration 794: trace = 2.395284881369466 (0.000280825% change) linmin: converged after 3 iterations. iteration 795: trace = 2.395282314882131 (0.000107148% change) large trace change predicted (0.000363795%) linmin: converged after 5 iterations. iteration 796: trace = 2.395273600083791 (0.000363832% change) linmin: converged after 5 iterations. iteration 797: trace = 2.395271223154673 (9.92342e-05% change) large trace change predicted (0.000340884%) linmin: converged after 2 iterations. iteration 798: trace = 2.39526305787462 (0.000340892% change) linmin: converged after 5 iterations. iteration 799: trace = 2.395260394965665 (0.000111174% change) large trace change predicted (0.000431369%) linmin: converged after 6 iterations. iteration 800: trace = 2.395250061116095 (0.00043143% change) linmin: converged after 4 iterations. iteration 801: trace = 2.395245413649938 (0.000194029% change) large trace change predicted (0.000569044%) linmin: converged after 4 iterations. iteration 802: trace = 2.395231784161364 (0.000569024% change) linmin: converged after 3 iterations. iteration 803: trace = 2.395223581441534 (0.000342461% change) linmin: converged after 5 iterations. iteration 804: trace = 2.395207934722523 (0.000653249% change) linmin: converged after 3 iterations. iteration 805: trace = 2.395196120649871 (0.000493239% change) linmin: converged after 5 iterations. iteration 806: trace = 2.395178716878824 (0.000726614% change) linmin: converged after 5 iterations. iteration 807: trace = 2.395148199747699 (0.00127411% change) linmin: converged after 5 iterations. iteration 808: trace = 2.395137434610638 (0.000449457% change) large trace change predicted (0.00167401%) linmin: converged after 4 iterations. iteration 809: trace = 2.395097334971058 (0.00167422% change) linmin: converged after 6 iterations. iteration 810: trace = 2.395079604739446 (0.000740275% change) large trace change predicted (0.00207408%) linmin: converged after 4 iterations. iteration 811: trace = 2.395029918711579 (0.00207453% change) linmin: converged after 6 iterations. iteration 812: trace = 2.395008690784144 (0.000886336% change) large trace change predicted (0.00240346%) linmin: converged after 7 iterations. iteration 813: trace = 2.394951105525065 (0.00240442% change) linmin: converged after 5 iterations. iteration 814: trace = 2.394938116298908 (0.00054236% change) large trace change predicted (0.00136867%) linmin: converged after 13 iterations. iteration 815: trace = 2.394905336611201 (0.00136872% change) linmin: converged after 6 iterations. iteration 816: trace = 2.394892346720609 (0.000542398% change) linmin: converged after 4 iterations. iteration 817: trace = 2.394879298712001 (0.000544828% change) linmin: converged after 7 iterations. iteration 818: trace = 2.394869403121697 (0.000413199% change) linmin: converged after 3 iterations. iteration 819: trace = 2.394861454864876 (0.000331887% change) linmin: converged after 5 iterations. iteration 820: trace = 2.394853691918189 (0.000324151% change) linmin: converged after 4 iterations. iteration 821: trace = 2.394847429933353 (0.000261477% change) linmin: converged after 7 iterations. iteration 822: trace = 2.394837501342926 (0.000414582% change) linmin: converged after 5 iterations. iteration 823: trace = 2.39483302852368 (0.000186769% change) large trace change predicted (0.000876756%) linmin: converged after 4 iterations. iteration 824: trace = 2.394812023301695 (0.00087711% change) linmin: converged after 6 iterations. iteration 825: trace = 2.394804586080783 (0.000310556% change) large trace change predicted (0.00093003%) linmin: converged after 3 iterations. iteration 826: trace = 2.394782307915482 (0.000930275% change) linmin: converged after 5 iterations. iteration 827: trace = 2.394769386045013 (0.000539586% change) large trace change predicted (0.00117236%) linmin: converged after 6 iterations. iteration 828: trace = 2.394741300849612 (0.00117278% change) linmin: converged after 5 iterations. iteration 829: trace = 2.394720862647654 (0.000853465% change) linmin: converged after 6 iterations. iteration 830: trace = 2.394704186977982 (0.000696354% change) linmin: converged after 4 iterations. iteration 831: trace = 2.394682849252985 (0.000891042% change) linmin: converged after 6 iterations. iteration 832: trace = 2.39467402733472 (0.000368397% change) large trace change predicted (0.00107963%) linmin: converged after 3 iterations. iteration 833: trace = 2.394648178904071 (0.00107942% change) linmin: converged after 6 iterations. iteration 834: trace = 2.394641160982183 (0.000293067% change) large trace change predicted (0.000861246%) linmin: converged after 6 iterations. iteration 835: trace = 2.394620539422801 (0.000861158% change) linmin: converged after 6 iterations. iteration 836: trace = 2.394608537546642 (0.000501203% change) linmin: converged after 4 iterations. iteration 837: trace = 2.394588612079556 (0.000832101% change) linmin: converged after 3 iterations. iteration 838: trace = 2.394574852354423 (0.000574619% change) linmin: converged after 5 iterations. iteration 839: trace = 2.39455216210991 (0.000947573% change) resetting CG direction... linmin: converged after 5 iterations. iteration 840: trace = 2.394540823701043 (0.00047351% change) linmin: converged after 4 iterations. iteration 841: trace = 2.394527776114812 (0.00054489% change) linmin: converged after 5 iterations. iteration 842: trace = 2.394523660121363 (0.000171892% change) linmin: converged after 6 iterations. iteration 843: trace = 2.394518063110889 (0.000233742% change) linmin: converged after 2 iterations. iteration 844: trace = 2.394509803044171 (0.000344958% change) linmin: converged after 5 iterations. iteration 845: trace = 2.394507760696138 (8.5293e-05% change) large trace change predicted (0.000436312%) linmin: converged after 4 iterations. iteration 846: trace = 2.394497313427193 (0.000436302% change) linmin: converged after 4 iterations. iteration 847: trace = 2.394490362233961 (0.000290299% change) linmin: converged after 6 iterations. iteration 848: trace = 2.394477476693619 (0.000538134% change) linmin: converged after 5 iterations. iteration 849: trace = 2.394464689887249 (0.000534014% change) linmin: converged after 5 iterations. iteration 850: trace = 2.394458144136741 (0.00027337% change) large trace change predicted (0.000877888%) linmin: converged after 5 iterations. iteration 851: trace = 2.394437132506152 (0.000877515% change) linmin: converged after 5 iterations. iteration 852: trace = 2.394410973238042 (0.00109251% change) linmin: converged after 5 iterations. iteration 853: trace = 2.394402272635757 (0.000363372% change) large trace change predicted (0.00121355%) linmin: converged after 4 iterations. iteration 854: trace = 2.394373229641932 (0.00121296% change) linmin: converged after 7 iterations. iteration 855: trace = 2.394354067564101 (0.000800299% change) linmin: converged after 8 iterations. iteration 856: trace = 2.39433372431924 (0.000849638% change) linmin: converged after 6 iterations. iteration 857: trace = 2.394297166381279 (0.00152686% change) linmin: converged after 5 iterations. iteration 858: trace = 2.394285767544338 (0.000476084% change) large trace change predicted (0.00159333%) linmin: converged after 4 iterations. iteration 859: trace = 2.394247622389388 (0.00159319% change) linmin: converged after 4 iterations. iteration 860: trace = 2.394233346506626 (0.000596259% change) linmin: converged after 6 iterations. iteration 861: trace = 2.394207819726012 (0.00106618% change) linmin: converged after 5 iterations. iteration 862: trace = 2.394195519026676 (0.00051377% change) linmin: converged after 5 iterations. iteration 863: trace = 2.394188993596345 (0.000272552% change) linmin: converged after 5 iterations. iteration 864: trace = 2.394182356903114 (0.0002772% change) linmin: converged after 5 iterations. iteration 865: trace = 2.394179333180336 (0.000126295% change) large trace change predicted (0.000328299%) linmin: converged after 5 iterations. iteration 866: trace = 2.394171473976929 (0.000328263% change) linmin: converged after 5 iterations. iteration 867: trace = 2.394161450734507 (0.000418653% change) linmin: converged after 4 iterations. iteration 868: trace = 2.394155805717717 (0.000235783% change) large trace change predicted (0.000528311%) linmin: converged after 5 iterations. iteration 869: trace = 2.39414315843689 (0.000528258% change) linmin: converged after 7 iterations. iteration 870: trace = 2.394130787986597 (0.000516698% change) linmin: converged after 6 iterations. iteration 871: trace = 2.394120900976059 (0.00041297% change) large trace change predicted (0.00112671%) linmin: converged after 4 iterations. iteration 872: trace = 2.39409393349801 (0.00112641% change) linmin: converged after 8 iterations. iteration 873: trace = 2.394087939782523 (0.000250355% change) large trace change predicted (0.000736548%) linmin: converged after 5 iterations. iteration 874: trace = 2.394070307241102 (0.000736506% change) linmin: converged after 5 iterations. iteration 875: trace = 2.394053220487694 (0.000713714% change) linmin: converged after 5 iterations. iteration 876: trace = 2.394047530589803 (0.000237668% change) linmin: converged after 7 iterations. iteration 877: trace = 2.394037289050395 (0.000427793% change) linmin: converged after 12 iterations. iteration 878: trace = 2.394028799022859 (0.000354633% change) linmin: converged after 17 iterations. iteration 879: trace = 2.394022136076078 (0.000278316% change) linmin: converged after 5 iterations. iteration 880: trace = 2.394012906652803 (0.00038552% change) linmin: converged after 14 iterations. iteration 881: trace = 2.394011176554337 (7.22677e-05% change) large trace change predicted (0.000190848%) linmin: converged after 5 iterations. iteration 882: trace = 2.394006607691629 (0.000190846% change) linmin: converged after 8 iterations. iteration 883: trace = 2.394004935452463 (6.98511e-05% change) linmin: converged after 6 iterations. iteration 884: trace = 2.394003356094164 (6.59714e-05% change) large trace change predicted (0.000162004%) linmin: converged after 3 iterations. iteration 885: trace = 2.39399947773438 (0.000162003% change) linmin: converged after 9 iterations. iteration 886: trace = 2.393997603098247 (7.83057e-05% change) large trace change predicted (0.000254067%) linmin: converged after 6 iterations. iteration 887: trace = 2.393991520849144 (0.000254063% change) linmin: converged after 6 iterations. iteration 888: trace = 2.393982081480052 (0.000394295% change) linmin: converged after 5 iterations. iteration 889: trace = 2.393976576528157 (0.00022995% change) large trace change predicted (0.000726596%) linmin: converged after 4 iterations. iteration 890: trace = 2.393959186647659 (0.000726404% change) linmin: converged after 5 iterations. iteration 891: trace = 2.393946679171171 (0.000522461% change) linmin: converged after 7 iterations. iteration 892: trace = 2.393929882918499 (0.000701616% change) linmin: converged after 5 iterations. iteration 893: trace = 2.393910467690303 (0.000811022% change) linmin: converged after 5 iterations. iteration 894: trace = 2.393901562763373 (0.000371983% change) linmin: converged after 8 iterations. iteration 895: trace = 2.393892916922695 (0.000361162% change) linmin: converged after 5 iterations. iteration 896: trace = 2.39389096458894 (8.15548e-05% change) large trace change predicted (0.000299648%) linmin: converged after 6 iterations. iteration 897: trace = 2.39388379195875 (0.000299623% change) linmin: converged after 3 iterations. iteration 898: trace = 2.393878750255292 (0.000210608% change) linmin: converged after 7 iterations. iteration 899: trace = 2.393875319777359 (0.000143302% change) linmin: converged after 6 iterations. iteration 900: trace = 2.39386880324487 (0.000272217% change) linmin: converged after 2 iterations. iteration 901: trace = 2.393865889782401 (0.000121705% change) large trace change predicted (0.000474624%) linmin: converged after 5 iterations. iteration 902: trace = 2.393854529225294 (0.000474571% change) linmin: converged after 6 iterations. iteration 903: trace = 2.393848780120372 (0.000240161% change) linmin: converged after 5 iterations. iteration 904: trace = 2.393843160881334 (0.000234737% change) linmin: converged after 5 iterations. iteration 905: trace = 2.393835197853341 (0.000332647% change) linmin: converged after 11 iterations. iteration 906: trace = 2.393830256097682 (0.000206437% change) linmin: converged after 5 iterations. iteration 907: trace = 2.393823740035774 (0.000272203% change) large trace change predicted (0.00131531%) linmin: converged after 3 iterations. iteration 908: trace = 2.393792263317471 (0.00131492% change) linmin: converged after 5 iterations. iteration 909: trace = 2.39377652602875 (0.000657423% change) resetting CG direction... linmin: converged after 7 iterations. iteration 910: trace = 2.39376330009675 (0.000552515% change) linmin: converged after 4 iterations. iteration 911: trace = 2.39374238845994 (0.000873592% change) linmin: converged after 4 iterations. iteration 912: trace = 2.393735033002682 (0.000307279% change) linmin: converged after 7 iterations. iteration 913: trace = 2.39372912334381 (0.000246881% change) linmin: converged after 4 iterations. iteration 914: trace = 2.393720884439127 (0.000344188% change) linmin: converged after 5 iterations. iteration 915: trace = 2.393716308546411 (0.000191163% change) linmin: converged after 10 iterations. iteration 916: trace = 2.39371181097369 (0.000187891% change) linmin: converged after 5 iterations. iteration 917: trace = 2.393704834491148 (0.000291451% change) linmin: converged after 6 iterations. iteration 918: trace = 2.393702382984916 (0.000102415% change) large trace change predicted (0.000250766%) linmin: converged after 4 iterations. iteration 919: trace = 2.393696380507142 (0.000250762% change) linmin: converged after 4 iterations. iteration 920: trace = 2.393693777334366 (0.000108751% change) linmin: converged after 3 iterations. iteration 921: trace = 2.39369060811919 (0.000132399% change) linmin: converged after 2 iterations. iteration 922: trace = 2.393685895928552 (0.000196859% change) linmin: converged after 5 iterations. iteration 923: trace = 2.393683127047675 (0.000115674% change) large trace change predicted (0.000244996%) linmin: converged after 5 iterations. iteration 924: trace = 2.393677261862061 (0.000245028% change) linmin: converged after 5 iterations. iteration 925: trace = 2.393669577398056 (0.000321032% change) linmin: converged after 8 iterations. iteration 926: trace = 2.393664634722948 (0.00020649% change) linmin: converged after 4 iterations. iteration 927: trace = 2.393656868232361 (0.000324461% change) linmin: converged after 5 iterations. iteration 928: trace = 2.393649260106471 (0.000317846% change) linmin: converged after 5 iterations. iteration 929: trace = 2.393637913421805 (0.000474034% change) linmin: converged after 6 iterations. iteration 930: trace = 2.393627845051446 (0.000420631% change) linmin: converged after 6 iterations. iteration 931: trace = 2.393623119731646 (0.000197413% change) linmin: converged after 11 iterations. iteration 932: trace = 2.393616613529423 (0.000271814% change) linmin: converged after 3 iterations. iteration 933: trace = 2.393614699545965 (7.9962e-05% change) linmin: converged after 2 iterations. iteration 934: trace = 2.393612284235905 (0.000100906% change) linmin: converged after 7 iterations. iteration 935: trace = 2.393609583419692 (0.000112834% change) linmin: converged after 10 iterations. iteration 936: trace = 2.393608895320764 (2.87473e-05% change) large trace change predicted (7.45291e-05%) linmin: converged after 5 iterations. iteration 937: trace = 2.393607111307217 (7.45324e-05% change) linmin: converged after 4 iterations. iteration 938: trace = 2.393606501000698 (2.54974e-05% change) large trace change predicted (0.00011861%) linmin: converged after 6 iterations. iteration 939: trace = 2.393603661892658 (0.000118612% change) linmin: converged after 6 iterations. iteration 940: trace = 2.393598716417863 (0.000206612% change) linmin: converged after 5 iterations. iteration 941: trace = 2.393596074406716 (0.000110378% change) large trace change predicted (0.000302045%) linmin: converged after 3 iterations. iteration 942: trace = 2.393588844334078 (0.000302059% change) linmin: converged after 4 iterations. iteration 943: trace = 2.393579358283505 (0.000396312% change) linmin: converged after 6 iterations. iteration 944: trace = 2.393575822360091 (0.000147725% change) large trace change predicted (0.000317736%) linmin: converged after 6 iterations. iteration 945: trace = 2.393568216785492 (0.00031775% change) linmin: converged after 6 iterations. iteration 946: trace = 2.393562163114726 (0.000252914% change) linmin: converged after 6 iterations. iteration 947: trace = 2.393555831024061 (0.000264547% change) linmin: converged after 4 iterations. iteration 948: trace = 2.393545423839673 (0.000434801% change) linmin: converged after 6 iterations. iteration 949: trace = 2.39354150132934 (0.000163879% change) large trace change predicted (0.000476617%) linmin: converged after 11 iterations. iteration 950: trace = 2.393530092315141 (0.000476659% change) linmin: converged after 2 iterations. iteration 951: trace = 2.393525465184724 (0.000193318% change) linmin: converged after 5 iterations. iteration 952: trace = 2.393521452365795 (0.000167653% change) linmin: converged after 8 iterations. iteration 953: trace = 2.393517957767596 (0.000146002% change) linmin: converged after 5 iterations. iteration 954: trace = 2.393516584892442 (5.73581e-05% change) large trace change predicted (0.000123131%) linmin: converged after 4 iterations. iteration 955: trace = 2.393513637809922 (0.000123128% change) linmin: converged after 10 iterations. iteration 956: trace = 2.393510506757236 (0.000130814% change) linmin: converged after 5 iterations. iteration 957: trace = 2.393507640157566 (0.000119766% change) large trace change predicted (0.000313861%) linmin: converged after 11 iterations. iteration 958: trace = 2.393500127861745 (0.000313862% change) linmin: converged after 5 iterations. iteration 959: trace = 2.393494788156733 (0.000223092% change) linmin: converged after 5 iterations. iteration 960: trace = 2.39348434947494 (0.000436128% change) linmin: converged after 6 iterations. iteration 961: trace = 2.393473336170258 (0.000460138% change) linmin: converged after 5 iterations. iteration 962: trace = 2.393466176867826 (0.000299118% change) linmin: converged after 4 iterations. iteration 963: trace = 2.393452298072569 (0.000579863% change) linmin: converged after 3 iterations. iteration 964: trace = 2.393448656865348 (0.000152132% change) large trace change predicted (0.000374091%) linmin: converged after 3 iterations. iteration 965: trace = 2.393439701805333 (0.00037415% change) linmin: converged after 6 iterations. iteration 966: trace = 2.393436458255365 (0.000135518% change) large trace change predicted (0.000316792%) linmin: converged after 4 iterations. iteration 967: trace = 2.393428876045128 (0.000316792% change) linmin: converged after 5 iterations. iteration 968: trace = 2.393426380859422 (0.000104252% change) large trace change predicted (0.000244802%) linmin: converged after 5 iterations. iteration 969: trace = 2.393420520538728 (0.000244851% change) linmin: converged after 5 iterations. iteration 970: trace = 2.393418851824411 (6.97209e-05% change) large trace change predicted (0.00019134%) linmin: converged after 3 iterations. iteration 971: trace = 2.393414271876066 (0.000191356% change) linmin: converged after 7 iterations. iteration 972: trace = 2.393413075477578 (4.99871e-05% change) large trace change predicted (0.00015086%) linmin: converged after 4 iterations. iteration 973: trace = 2.393409464217927 (0.000150883% change) linmin: converged after 6 iterations. iteration 974: trace = 2.393408134152997 (5.5572e-05% change) large trace change predicted (0.000120053%) linmin: converged after 5 iterations. iteration 975: trace = 2.393405260855118 (0.000120051% change) linmin: converged after 9 iterations. iteration 976: trace = 2.393404383141242 (3.66722e-05% change) linmin: converged after 5 iterations. iteration 977: trace = 2.393402666045481 (7.17428e-05% change) linmin: converged after 5 iterations. iteration 978: trace = 2.393401975714696 (2.88431e-05% change) large trace change predicted (0.000103563%) linmin: converged after 4 iterations. iteration 979: trace = 2.393399497148036 (0.000103558% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.393398857745352 (2.67153e-05% change) linmin: converged after 3 iterations. iteration 981: trace = 2.39339801257345 (3.53126e-05% change) linmin: converged after 4 iterations. iteration 982: trace = 2.393396777174976 (5.16169e-05% change) linmin: converged after 13 iterations. iteration 983: trace = 2.393396046469055 (3.05301e-05% change) large trace change predicted (0.000135784%) linmin: converged after 7 iterations. iteration 984: trace = 2.393392796856243 (0.000135774% change) linmin: converged after 4 iterations. iteration 985: trace = 2.3933909388881 (7.76291e-05% change) linmin: converged after 8 iterations. iteration 986: trace = 2.393388231354699 (0.000113125% change) linmin: converged after 6 iterations. iteration 987: trace = 2.393385084528441 (0.00013148% change) linmin: converged after 7 iterations. iteration 988: trace = 2.393383375292374 (7.1415e-05% change) large trace change predicted (0.000162227%) linmin: converged after 6 iterations. iteration 989: trace = 2.39337949267091 (0.000162223% change) linmin: converged after 6 iterations. iteration 990: trace = 2.393377370493137 (8.86687e-05% change) large trace change predicted (0.0002045%) linmin: converged after 4 iterations. iteration 991: trace = 2.393372476433091 (0.000204484% change) linmin: converged after 5 iterations. iteration 992: trace = 2.393366010571389 (0.000270157% change) linmin: converged after 7 iterations. iteration 993: trace = 2.393360582141217 (0.000226812% change) linmin: converged after 5 iterations. iteration 994: trace = 2.393353007150244 (0.000316501% change) linmin: converged after 4 iterations. iteration 995: trace = 2.393350017475156 (0.000124916% change) large trace change predicted (0.00026056%) linmin: converged after 5 iterations. iteration 996: trace = 2.39334378203401 (0.000260532% change) linmin: converged after 6 iterations. iteration 997: trace = 2.393335774007732 (0.000334596% change) linmin: converged after 6 iterations. iteration 998: trace = 2.393331601744257 (0.000174329% change) large trace change predicted (0.000372919%) linmin: converged after 13 iterations. iteration 999: trace = 2.393322677307343 (0.000372888% change) linmin: converged after 13 iterations. iteration 1000: trace = 2.393321272804266 (5.86843e-05% change) linmin: converged after 8 iterations. iteration 1001: trace = 2.393318598405276 (0.000111744% change) linmin: converged after 5 iterations. iteration 1002: trace = 2.393316904843696 (7.07621e-05% change) linmin: converged after 5 iterations. iteration 1003: trace = 2.393316064873754 (3.50965e-05% change) large trace change predicted (9.3938e-05%) linmin: converged after 4 iterations. iteration 1004: trace = 2.393313816626083 (9.39386e-05% change) linmin: converged after 11 iterations. iteration 1005: trace = 2.393312997241325 (3.42364e-05% change) large trace change predicted (0.000149882%) linmin: converged after 6 iterations. iteration 1006: trace = 2.39330941048938 (0.000149866% change) linmin: converged after 5 iterations. iteration 1007: trace = 2.393306895060383 (0.000105103% change) linmin: converged after 5 iterations. iteration 1008: trace = 2.393304600723536 (9.58648e-05% change) large trace change predicted (0.000192641%) linmin: converged after 5 iterations. iteration 1009: trace = 2.393299991031353 (0.000192608% change) linmin: converged after 5 iterations. iteration 1010: trace = 2.393296409280905 (0.000149658% change) linmin: converged after 9 iterations. iteration 1011: trace = 2.393290678965539 (0.000239432% change) linmin: converged after 5 iterations. iteration 1012: trace = 2.393286681689123 (0.00016702% change) linmin: converged after 6 iterations. iteration 1013: trace = 2.393284644429595 (8.5124e-05% change) large trace change predicted (0.000189203%) linmin: converged after 6 iterations. iteration 1014: trace = 2.39328011637136 (0.000189199% change) linmin: converged after 6 iterations. iteration 1015: trace = 2.393278287913598 (7.63997e-05% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.393276001261386 (9.55448e-05% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.393272876472464 (0.000130565% change) linmin: converged after 4 iterations. iteration 1018: trace = 2.393272160052428 (2.99347e-05% change) large trace change predicted (9.79606e-05%) linmin: converged after 3 iterations. iteration 1019: trace = 2.393269815718094 (9.79552e-05% change) linmin: converged after 7 iterations. iteration 1020: trace = 2.393269067031305 (3.1283e-05% change) linmin: converged after 7 iterations. iteration 1021: trace = 2.393268543077747 (2.18928e-05% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.393267828019735 (2.98779e-05% change) linmin: converged after 5 iterations. iteration 1023: trace = 2.393267385051577 (1.85089e-05% change) linmin: converged after 4 iterations. iteration 1024: trace = 2.393266529555258 (3.5746e-05% change) linmin: converged after 3 iterations. iteration 1025: trace = 2.39326525341969 (5.33219e-05% change) linmin: converged after 15 iterations. iteration 1026: trace = 2.39326441430694 (3.50614e-05% change) large trace change predicted (0.000101647%) linmin: converged after 5 iterations. iteration 1027: trace = 2.393261981570269 (0.000101649% change) linmin: converged after 5 iterations. iteration 1028: trace = 2.393260515336318 (6.12651e-05% change) linmin: converged after 7 iterations. iteration 1029: trace = 2.393257998417836 (0.000105167% change) large trace change predicted (0.000247538%) linmin: converged after 8 iterations. iteration 1030: trace = 2.393252074643331 (0.00024752% change) linmin: converged after 8 iterations. iteration 1031: trace = 2.393250024021437 (8.56835e-05% change) large trace change predicted (0.000206121%) linmin: converged after 4 iterations. iteration 1032: trace = 2.393245091918589 (0.000206084% change) linmin: converged after 6 iterations. iteration 1033: trace = 2.393243958621495 (4.7354e-05% change) linmin: converged after 3 iterations. iteration 1034: trace = 2.393241934798795 (8.4564e-05% change) linmin: converged after 9 iterations. iteration 1035: trace = 2.393240537244809 (5.83959e-05% change) linmin: converged after 9 iterations. iteration 1036: trace = 2.39324002778815 (2.12873e-05% change) large trace change predicted (5.57942e-05%) linmin: converged after 9 iterations. iteration 1037: trace = 2.393238692509214 (5.57938e-05% change) linmin: converged after 6 iterations. iteration 1038: trace = 2.39323802059479 (2.80755e-05% change) large trace change predicted (6.07335e-05%) linmin: converged after 8 iterations. iteration 1039: trace = 2.393236567069471 (6.07347e-05% change) linmin: converged after 5 iterations. iteration 1040: trace = 2.393235119480474 (6.04867e-05% change) linmin: converged after 4 iterations. iteration 1041: trace = 2.393233817398129 (5.44068e-05% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.393232071761479 (7.29405e-05% change) linmin: converged after 5 iterations. iteration 1043: trace = 2.39323128945811 (3.26882e-05% change) large trace change predicted (8.55472e-05%) linmin: converged after 4 iterations. iteration 1044: trace = 2.393229242214166 (8.55431e-05% change) linmin: converged after 6 iterations. iteration 1045: trace = 2.393227651783551 (6.64554e-05% change) linmin: converged after 7 iterations. iteration 1046: trace = 2.393225663833507 (8.30657e-05% change) linmin: converged after 6 iterations. iteration 1047: trace = 2.393222802787842 (0.000119548% change) linmin: converged after 8 iterations. iteration 1048: trace = 2.393220864444548 (8.0993e-05% change) large trace change predicted (0.000271507%) linmin: converged after 4 iterations. iteration 1049: trace = 2.393214366687728 (0.000271507% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1050: trace = 2.393210290441174 (0.000170325% change) linmin: converged after 5 iterations. iteration 1051: trace = 2.393207576173126 (0.000113415% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.393204382090806 (0.000133465% change) linmin: converged after 6 iterations. iteration 1053: trace = 2.393203141646405 (5.1832e-05% change) linmin: converged after 4 iterations. iteration 1054: trace = 2.393201585559278 (6.50211e-05% change) linmin: converged after 5 iterations. iteration 1055: trace = 2.393199555406358 (8.483e-05% change) linmin: converged after 7 iterations. iteration 1056: trace = 2.393199048834635 (2.11671e-05% change) large trace change predicted (6.37928e-05%) linmin: converged after 4 iterations. iteration 1057: trace = 2.393197522092076 (6.37951e-05% change) linmin: converged after 6 iterations. iteration 1058: trace = 2.393196541303609 (4.09824e-05% change) linmin: converged after 12 iterations. iteration 1059: trace = 2.393195711374781 (3.46787e-05% change) linmin: converged after 7 iterations. iteration 1060: trace = 2.39319453789427 (4.90341e-05% change) linmin: converged after 5 iterations. iteration 1061: trace = 2.393194082956864 (1.90096e-05% change) large trace change predicted (4.26953e-05%) linmin: converged after 5 iterations. iteration 1062: trace = 2.393193061154764 (4.26962e-05% change) linmin: converged after 13 iterations. iteration 1063: trace = 2.393192067371938 (4.15254e-05% change) linmin: converged after 5 iterations. iteration 1064: trace = 2.393191428683271 (2.66877e-05% change) large trace change predicted (7.5277e-05%) linmin: converged after 5 iterations. iteration 1065: trace = 2.393189627003934 (7.52836e-05% change) linmin: converged after 5 iterations. iteration 1066: trace = 2.393188640493396 (4.12216e-05% change) linmin: converged after 8 iterations. iteration 1067: trace = 2.393186825198472 (7.58526e-05% change) large trace change predicted (0.000155663%) linmin: converged after 7 iterations. iteration 1068: trace = 2.393183100095089 (0.000155655% change) linmin: converged after 5 iterations. iteration 1069: trace = 2.393181932013928 (4.88087e-05% change) large trace change predicted (0.000120468%) linmin: converged after 12 iterations. iteration 1070: trace = 2.393179049354931 (0.000120453% change) linmin: converged after 4 iterations. iteration 1071: trace = 2.39317841544213 (2.64883e-05% change) large trace change predicted (6.14963e-05%) linmin: converged after 3 iterations. iteration 1072: trace = 2.393176943830439 (6.1492e-05% change) linmin: converged after 5 iterations. iteration 1073: trace = 2.393176128200228 (3.40815e-05% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.393175836730765 (1.21792e-05% change) large trace change predicted (3.12721e-05%) linmin: converged after 8 iterations. iteration 1075: trace = 2.393175088311975 (3.1273e-05% change) linmin: converged after 6 iterations. iteration 1076: trace = 2.393174836913051 (1.05048e-05% change) linmin: converged after 5 iterations. iteration 1077: trace = 2.393174499953542 (1.408e-05% change) linmin: converged after 8 iterations. iteration 1078: trace = 2.393173917660776 (2.43314e-05% change) linmin: converged after 12 iterations. iteration 1079: trace = 2.393173583806723 (1.39503e-05% change) large trace change predicted (3.56268e-05%) linmin: converged after 6 iterations. iteration 1080: trace = 2.393172731134282 (3.56294e-05% change) large trace change predicted (7.21561e-05%) linmin: converged after 4 iterations. iteration 1081: trace = 2.393171004310397 (7.21563e-05% change) linmin: converged after 5 iterations. iteration 1082: trace = 2.393170288825717 (2.98969e-05% change) large trace change predicted (9.661e-05%) linmin: converged after 4 iterations. iteration 1083: trace = 2.393167976850339 (9.66073e-05% change) linmin: converged after 12 iterations. iteration 1084: trace = 2.393166861195967 (4.66183e-05% change) linmin: converged after 4 iterations. iteration 1085: trace = 2.393164724567955 (8.92804e-05% change) linmin: converged after 4 iterations. iteration 1086: trace = 2.393162654720227 (8.649e-05% change) linmin: converged after 5 iterations. iteration 1087: trace = 2.393161542554514 (4.64726e-05% change) large trace change predicted (9.32381e-05%) linmin: converged after 6 iterations. iteration 1088: trace = 2.393159311105262 (9.32428e-05% change) linmin: converged after 5 iterations. iteration 1089: trace = 2.39315628345993 (0.000126513% change) linmin: converged after 4 iterations. iteration 1090: trace = 2.393155423667713 (3.59271e-05% change) large trace change predicted (8.793e-05%) linmin: converged after 5 iterations. iteration 1091: trace = 2.393153319160044 (8.79387e-05% change) linmin: converged after 5 iterations. iteration 1092: trace = 2.393152590988818 (3.04273e-05% change) linmin: converged after 5 iterations. iteration 1093: trace = 2.393151958891362 (2.64128e-05% change) linmin: converged after 5 iterations. iteration 1094: trace = 2.393151108429939 (3.55373e-05% change) linmin: converged after 5 iterations. iteration 1095: trace = 2.393150857445542 (1.04876e-05% change) large trace change predicted (4.02579e-05%) linmin: converged after 7 iterations. iteration 1096: trace = 2.393149894031267 (4.02572e-05% change) linmin: converged after 6 iterations. iteration 1097: trace = 2.393149149982629 (3.10908e-05% change) linmin: converged after 15 iterations. iteration 1098: trace = 2.393148195430912 (3.98869e-05% change) large trace change predicted (0.000119726%) linmin: converged after 6 iterations. iteration 1099: trace = 2.393145330313613 (0.000119722% change) linmin: converged after 6 iterations. iteration 1100: trace = 2.393144180958879 (4.8027e-05% change) large trace change predicted (0.000107822%) linmin: converged after 6 iterations. iteration 1101: trace = 2.393141600546532 (0.000107825% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.393138867497359 (0.000114203% change) linmin: converged after 5 iterations. iteration 1103: trace = 2.393137437991372 (5.97335e-05% change) linmin: converged after 6 iterations. iteration 1104: trace = 2.393134889901042 (0.000106475% change) linmin: converged after 8 iterations. iteration 1105: trace = 2.393134056875987 (3.4809e-05% change) large trace change predicted (0.000114227%) linmin: converged after 6 iterations. iteration 1106: trace = 2.393131323002051 (0.000114238% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.393130471419162 (3.55845e-05% change) linmin: converged after 4 iterations. iteration 1108: trace = 2.393129703889396 (3.20722e-05% change) linmin: converged after 13 iterations. iteration 1109: trace = 2.393128458007009 (5.20608e-05% change) linmin: converged after 6 iterations. iteration 1110: trace = 2.393128111015753 (1.44995e-05% change) large trace change predicted (4.7851e-05%) linmin: converged after 7 iterations. iteration 1111: trace = 2.39312696584973 (4.78523e-05% change) linmin: converged after 8 iterations. iteration 1112: trace = 2.3931266391468 (1.36517e-05% change) large trace change predicted (3.78281e-05%) linmin: converged after 5 iterations. iteration 1113: trace = 2.393125733843513 (3.78293e-05% change) linmin: converged after 5 iterations. iteration 1114: trace = 2.393125357326621 (1.57333e-05% change) linmin: converged after 4 iterations. iteration 1115: trace = 2.39312510143522 (1.06928e-05% change) linmin: converged after 7 iterations. iteration 1116: trace = 2.393124646352413 (1.90163e-05% change) linmin: converged after 8 iterations. iteration 1117: trace = 2.393124566839406 (3.32256e-06% change) large trace change predicted (2.60653e-05%) linmin: converged after 4 iterations. iteration 1118: trace = 2.393123943067639 (2.60652e-05% change) linmin: converged after 5 iterations. iteration 1119: trace = 2.393123292302728 (2.71931e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.393122795144083 (2.07745e-05% change) linmin: converged after 3 iterations. iteration 1121: trace = 2.393122221499031 (2.39706e-05% change) linmin: converged after 9 iterations. iteration 1122: trace = 2.393122026857971 (8.13335e-06% change) linmin: converged after 9 iterations. iteration 1123: trace = 2.393121762135788 (1.10618e-05% change) linmin: converged after 5 iterations. iteration 1124: trace = 2.393121315690836 (1.86553e-05% change) linmin: converged after 12 iterations. iteration 1125: trace = 2.393121043248063 (1.13844e-05% change) large trace change predicted (2.35221e-05%) linmin: converged after 4 iterations. iteration 1126: trace = 2.393120480355973 (2.35213e-05% change) linmin: converged after 10 iterations. iteration 1127: trace = 2.393119750018178 (3.05182e-05% change) linmin: converged after 5 iterations. iteration 1128: trace = 2.393119411592762 (1.41416e-05% change) large trace change predicted (4.9348e-05%) linmin: converged after 8 iterations. iteration 1129: trace = 2.393118230639719 (4.93479e-05% change) linmin: converged after 4 iterations. iteration 1130: trace = 2.393117875081792 (1.48575e-05% change) large trace change predicted (4.74419e-05%) linmin: converged after 3 iterations. iteration 1131: trace = 2.393116739756548 (4.74413e-05% change) linmin: converged after 5 iterations. iteration 1132: trace = 2.393115488628403 (5.22803e-05% change) linmin: converged after 12 iterations. iteration 1133: trace = 2.393114965220025 (2.18714e-05% change) large trace change predicted (8.47535e-05%) linmin: converged after 7 iterations. iteration 1134: trace = 2.393112937186994 (8.47445e-05% change) linmin: converged after 4 iterations. iteration 1135: trace = 2.39311180181349 (4.74434e-05% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.393110339065101 (6.11233e-05% change) linmin: converged after 9 iterations. iteration 1137: trace = 2.393108472239607 (7.80084e-05% change) linmin: converged after 5 iterations. iteration 1138: trace = 2.393107594039128 (3.66971e-05% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.393106173298511 (5.9368e-05% change) linmin: converged after 3 iterations. iteration 1140: trace = 2.393105006931219 (4.87386e-05% change) linmin: converged after 8 iterations. iteration 1141: trace = 2.393104440007796 (2.36899e-05% change) linmin: converged after 4 iterations. iteration 1142: trace = 2.393103689050256 (3.13801e-05% change) linmin: converged after 5 iterations. iteration 1143: trace = 2.393103499564331 (7.918e-06% change) large trace change predicted (1.88069e-05%) linmin: converged after 4 iterations. iteration 1144: trace = 2.393103049500558 (1.88067e-05% change) linmin: converged after 5 iterations. iteration 1145: trace = 2.393102732345627 (1.32529e-05% change) linmin: converged after 5 iterations. iteration 1146: trace = 2.393102478486765 (1.06079e-05% change) large trace change predicted (2.48009e-05%) linmin: converged after 4 iterations. iteration 1147: trace = 2.393101884993238 (2.48002e-05% change) linmin: converged after 4 iterations. iteration 1148: trace = 2.393101518122005 (1.53304e-05% change) large trace change predicted (5.74864e-05%) linmin: converged after 18 iterations. iteration 1149: trace = 2.393100142463501 (5.74844e-05% change) linmin: converged after 5 iterations. iteration 1150: trace = 2.393098797410638 (5.62055e-05% change) linmin: converged after 7 iterations. iteration 1151: trace = 2.393098152780351 (2.69371e-05% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.393097005977972 (4.79213e-05% change) linmin: converged after 3 iterations. iteration 1153: trace = 2.393095935653633 (4.47255e-05% change) linmin: converged after 5 iterations. iteration 1154: trace = 2.393095541297538 (1.64789e-05% change) large trace change predicted (5.49254e-05%) linmin: converged after 18 iterations. iteration 1155: trace = 2.393094226921638 (5.49237e-05% change) linmin: converged after 3 iterations. iteration 1156: trace = 2.39309396426576 (1.09756e-05% change) large trace change predicted (3.10945e-05%) linmin: converged after 10 iterations. iteration 1157: trace = 2.393093220141118 (3.10947e-05% change) linmin: converged after 10 iterations. iteration 1158: trace = 2.39309264554897 (2.40104e-05% change) linmin: converged after 20 iterations. iteration 1159: trace = 2.393092448080255 (8.25161e-06% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.393092059924631 (1.62198e-05% change) linmin: converged after 4 iterations. iteration 1161: trace = 2.393091858329862 (8.42403e-06% change) linmin: converged after 5 iterations. iteration 1162: trace = 2.393091720097054 (5.77633e-06% change) linmin: converged after 3 iterations. iteration 1163: trace = 2.393091541114908 (7.47912e-06% change) linmin: converged after 4 iterations. iteration 1164: trace = 2.393091447694025 (3.90377e-06% change) large trace change predicted (8.30835e-06%) linmin: converged after 15 iterations. iteration 1165: trace = 2.393091248865591 (8.30843e-06% change) linmin: converged after 10 iterations. iteration 1166: trace = 2.393090859375185 (1.62756e-05% change) linmin: converged after 7 iterations. iteration 1167: trace = 2.393090694880812 (6.87372e-06% change) large trace change predicted (3.23481e-05%) linmin: converged after 15 iterations. iteration 1168: trace = 2.393089920781617 (3.23473e-05% change) linmin: converged after 17 iterations. iteration 1169: trace = 2.393088972181016 (3.96392e-05% change) linmin: converged after 4 iterations. iteration 1170: trace = 2.393088551654936 (1.75725e-05% change) large trace change predicted (3.88729e-05%) linmin: converged after 4 iterations. iteration 1171: trace = 2.393087621447286 (3.88706e-05% change) linmin: converged after 4 iterations. iteration 1172: trace = 2.393087098770607 (2.18411e-05% change) linmin: converged after 4 iterations. iteration 1173: trace = 2.393086513505814 (2.44565e-05% change) linmin: converged after 6 iterations. iteration 1174: trace = 2.393085756884826 (3.1617e-05% change) linmin: converged after 19 iterations. iteration 1175: trace = 2.393085656497844 (4.19488e-06% change) large trace change predicted (1.52876e-05%) linmin: converged after 5 iterations. iteration 1176: trace = 2.39308529065863 (1.52873e-05% change) linmin: converged after 8 iterations. iteration 1177: trace = 2.393085151679289 (5.80754e-06% change) linmin: converged after 5 iterations. iteration 1178: trace = 2.393084939720825 (8.85712e-06% change) linmin: converged after 5 iterations. iteration 1179: trace = 2.393084551457581 (1.62244e-05% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.39308438782028 (6.83792e-06% change) large trace change predicted (1.95492e-05%) linmin: converged after 6 iterations. iteration 1181: trace = 2.393083920006672 (1.95486e-05% change) linmin: converged after 16 iterations. iteration 1182: trace = 2.3930835389766 (1.59221e-05% change) linmin: converged after 6 iterations. iteration 1183: trace = 2.393083287334296 (1.05154e-05% change) linmin: converged after 5 iterations. iteration 1184: trace = 2.393082885619513 (1.67865e-05% change) linmin: converged after 7 iterations. iteration 1185: trace = 2.393082543878946 (1.42803e-05% change) linmin: converged after 4 iterations. iteration 1186: trace = 2.39308201855262 (2.19519e-05% change) linmin: converged after 5 iterations. iteration 1187: trace = 2.393081060456546 (4.00361e-05% change) linmin: converged after 8 iterations. iteration 1188: trace = 2.393080464286011 (2.49123e-05% change) large trace change predicted (0.000132277%) linmin: converged after 4 iterations. iteration 1189: trace = 2.393077298895951 (0.000132273% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1190: trace = 2.393076240239254 (4.42383e-05% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.393074750140043 (6.22671e-05% change) linmin: converged after 8 iterations. iteration 1192: trace = 2.393073809711386 (3.92979e-05% change) linmin: converged after 18 iterations. iteration 1193: trace = 2.39307351609799 (1.22693e-05% change) linmin: converged after 4 iterations. iteration 1194: trace = 2.393072929586735 (2.45087e-05% change) linmin: converged after 5 iterations. iteration 1195: trace = 2.393072566130759 (1.51878e-05% change) linmin: converged after 6 iterations. iteration 1196: trace = 2.393072357762494 (8.70714e-06% change) linmin: converged after 5 iterations. iteration 1197: trace = 2.393072037362187 (1.33887e-05% change) linmin: converged after 6 iterations. iteration 1198: trace = 2.393071930524768 (4.46445e-06% change) large trace change predicted (9.56957e-06%) linmin: converged after 4 iterations. iteration 1199: trace = 2.393071701518167 (9.56957e-06% change) linmin: converged after 5 iterations. iteration 1200: trace = 2.39307140753333 (1.22848e-05% change) linmin: converged after 16 iterations. iteration 1201: trace = 2.393071323863251 (3.49635e-06% change) large trace change predicted (1.10284e-05%) linmin: converged after 5 iterations. iteration 1202: trace = 2.393071059940076 (1.10286e-05% change) linmin: converged after 6 iterations. iteration 1203: trace = 2.393070926133761 (5.59141e-06% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.393070793781081 (5.53066e-06% change) large trace change predicted (1.58304e-05%) linmin: converged after 4 iterations. iteration 1205: trace = 2.393070414942804 (1.58306e-05% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.393070263111629 (6.34462e-06% change) linmin: converged after 19 iterations. iteration 1207: trace = 2.393069975221526 (1.20302e-05% change) large trace change predicted (2.95267e-05%) linmin: converged after 7 iterations. iteration 1208: trace = 2.393069268622976 (2.95269e-05% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.393069118002479 (6.29403e-06% change) large trace change predicted (2.71235e-05%) linmin: converged after 17 iterations. iteration 1210: trace = 2.393068468921886 (2.71234e-05% change) linmin: converged after 5 iterations. iteration 1211: trace = 2.393068209934187 (1.08224e-05% change) linmin: converged after 6 iterations. iteration 1212: trace = 2.393067826420286 (1.6026e-05% change) linmin: converged after 5 iterations. iteration 1213: trace = 2.39306755074399 (1.15198e-05% change) linmin: converged after 5 iterations. iteration 1214: trace = 2.393067481258047 (2.90363e-06% change) large trace change predicted (6.62382e-06%) linmin: converged after 7 iterations. iteration 1215: trace = 2.393067322743694 (6.6239e-06% change) linmin: converged after 9 iterations. iteration 1216: trace = 2.393067247866624 (3.12892e-06% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.393067201984167 (1.91731e-06% change) large trace change predicted (5.75137e-06%) linmin: converged after 5 iterations. iteration 1218: trace = 2.393067064347898 (5.75146e-06% change) linmin: converged after 4 iterations. iteration 1219: trace = 2.393067013798175 (2.11234e-06% change) large trace change predicted (6.27588e-06%) linmin: converged after 4 iterations. iteration 1220: trace = 2.393066863611985 (6.27589e-06% change) linmin: converged after 5 iterations. iteration 1221: trace = 2.393066564182733 (1.25124e-05% change) linmin: converged after 5 iterations. iteration 1222: trace = 2.39306644592344 (4.94175e-06% change) large trace change predicted (1.84633e-05%) linmin: converged after 6 iterations. iteration 1223: trace = 2.393066004079361 (1.84635e-05% change) linmin: converged after 5 iterations. iteration 1224: trace = 2.393065760666671 (1.01716e-05% change) large trace change predicted (2.08722e-05%) linmin: converged after 6 iterations. iteration 1225: trace = 2.393065261168879 (2.08727e-05% change) linmin: converged after 4 iterations. iteration 1226: trace = 2.393064858116487 (1.68425e-05% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.393064647187562 (8.81418e-06% change) large trace change predicted (2.02102e-05%) linmin: converged after 12 iterations. iteration 1228: trace = 2.39306416354039 (2.02104e-05% change) linmin: converged after 5 iterations. iteration 1229: trace = 2.393063626688344 (2.24337e-05% change) linmin: converged after 5 iterations. iteration 1230: trace = 2.393063278698965 (1.45416e-05% change) linmin: converged after 5 iterations. iteration 1231: trace = 2.393062704453462 (2.39963e-05% change) linmin: converged after 4 iterations. iteration 1232: trace = 2.39306257817967 (5.27666e-06% change) linmin: converged after 5 iterations. iteration 1233: trace = 2.393062375079716 (8.48703e-06% change) linmin: converged after 5 iterations. iteration 1234: trace = 2.393062226591907 (6.20493e-06% change) linmin: converged after 13 iterations. iteration 1235: trace = 2.393062150715249 (3.17069e-06% change) large trace change predicted (7.1653e-06%) linmin: converged after 4 iterations. iteration 1236: trace = 2.393061979244249 (7.16534e-06% change) linmin: converged after 10 iterations. iteration 1237: trace = 2.393061908567113 (2.95342e-06% change) large trace change predicted (1.09655e-05%) linmin: converged after 13 iterations. iteration 1238: trace = 2.393061646153985 (1.09656e-05% change) linmin: converged after 5 iterations. iteration 1239: trace = 2.393061357126682 (1.20777e-05% change) linmin: converged after 5 iterations. iteration 1240: trace = 2.39306106810203 (1.20776e-05% change) linmin: converged after 5 iterations. iteration 1241: trace = 2.393060602970678 (1.94367e-05% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.3930602614582 (1.4271e-05% change) linmin: converged after 6 iterations. iteration 1243: trace = 2.393059776248598 (2.02757e-05% change) linmin: converged after 5 iterations. iteration 1244: trace = 2.393059160145531 (2.57454e-05% change) linmin: converged after 7 iterations. iteration 1245: trace = 2.393058912697326 (1.03402e-05% change) large trace change predicted (2.06885e-05%) linmin: converged after 9 iterations. iteration 1246: trace = 2.39305841758815 (2.06894e-05% change) linmin: converged after 5 iterations. iteration 1247: trace = 2.393058288110684 (5.41054e-06% change) large trace change predicted (1.13421e-05%) linmin: converged after 2 iterations. iteration 1248: trace = 2.393058016687091 (1.13421e-05% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.393057784387755 (9.70722e-06% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.393057694039186 (3.77544e-06% change) large trace change predicted (1.12147e-05%) linmin: converged after 4 iterations. iteration 1251: trace = 2.393057425664721 (1.12147e-05% change) linmin: converged after 6 iterations. iteration 1252: trace = 2.393057344262602 (3.40159e-06% change) large trace change predicted (7.092e-06%) linmin: converged after 4 iterations. iteration 1253: trace = 2.393057174544058 (7.09212e-06% change) linmin: converged after 20 iterations. iteration 1254: trace = 2.39305706377123 (4.62893e-06% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.393057004024575 (2.49667e-06% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.39305691958685 (3.52845e-06% change) linmin: converged after 7 iterations. iteration 1257: trace = 2.393056878822534 (1.70344e-06% change) linmin: converged after 5 iterations. iteration 1258: trace = 2.39305681617839 (2.61775e-06% change) large trace change predicted (5.79016e-06%) linmin: converged after 15 iterations. iteration 1259: trace = 2.393056677618627 (5.79007e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.393056615081571 (2.61327e-06% change) linmin: converged after 4 iterations. iteration 1261: trace = 2.393056537874384 (3.2263e-06% change) linmin: converged after 5 iterations. iteration 1262: trace = 2.393056476760083 (2.55382e-06% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.393056445828446 (1.29256e-06% change) large trace change predicted (3.23548e-06%) linmin: converged after 4 iterations. iteration 1264: trace = 2.393056368401015 (3.2355e-06% change) linmin: converged after 7 iterations. iteration 1265: trace = 2.393056228587454 (5.84247e-06% change) linmin: converged after 4 iterations. iteration 1266: trace = 2.393056180500727 (2.00943e-06% change) large trace change predicted (7.96015e-06%) linmin: converged after 5 iterations. iteration 1267: trace = 2.393055990013713 (7.95999e-06% change) linmin: converged after 4 iterations. iteration 1268: trace = 2.393055894830834 (3.97746e-06% change) linmin: converged after 14 iterations. iteration 1269: trace = 2.393055738068435 (6.55072e-06% change) linmin: converged after 12 iterations. iteration 1270: trace = 2.393055559474342 (7.46301e-06% change) linmin: converged after 5 iterations. iteration 1271: trace = 2.393055446448873 (4.72306e-06% change) large trace change predicted (1.0583e-05%) linmin: converged after 4 iterations. iteration 1272: trace = 2.393055193199412 (1.05827e-05% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.393054815707878 (1.57745e-05% change) linmin: converged after 11 iterations. iteration 1274: trace = 2.393054697166692 (4.95355e-06% change) large trace change predicted (1.88963e-05%) linmin: converged after 6 iterations. iteration 1275: trace = 2.393054244993206 (1.88952e-05% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.393053985666967 (1.08366e-05% change) linmin: converged after 4 iterations. iteration 1277: trace = 2.393053817100578 (7.04399e-06% change) large trace change predicted (1.72193e-05%) linmin: converged after 5 iterations. iteration 1278: trace = 2.393053405038393 (1.72191e-05% change) linmin: converged after 7 iterations. iteration 1279: trace = 2.39305330651077 (4.11723e-06% change) large trace change predicted (1.10084e-05%) linmin: converged after 7 iterations. iteration 1280: trace = 2.39305304307857 (1.10082e-05% change) linmin: converged after 12 iterations. iteration 1281: trace = 2.393052973546367 (2.90559e-06% change) large trace change predicted (5.81259e-06%) linmin: converged after 7 iterations. iteration 1282: trace = 2.393052834449853 (5.81251e-06% change) linmin: converged after 4 iterations. iteration 1283: trace = 2.393052788630628 (1.91468e-06% change) linmin: converged after 12 iterations. iteration 1284: trace = 2.393052698068568 (3.78437e-06% change) linmin: converged after 7 iterations. iteration 1285: trace = 2.393052666944639 (1.3006e-06% change) large trace change predicted (3.6287e-06%) linmin: converged after 4 iterations. iteration 1286: trace = 2.393052580108233 (3.62869e-06% change) linmin: converged after 5 iterations. iteration 1287: trace = 2.393052534726269 (1.8964e-06% change) large trace change predicted (5.44108e-06%) linmin: converged after 13 iterations. iteration 1288: trace = 2.393052404519425 (5.44104e-06% change) linmin: converged after 5 iterations. iteration 1289: trace = 2.393052313475159 (3.80452e-06% change) large trace change predicted (1.11147e-05%) linmin: converged after 3 iterations. iteration 1290: trace = 2.393052047496551 (1.11146e-05% change) linmin: converged after 3 iterations. iteration 1291: trace = 2.393051891885403 (6.50262e-06% change) linmin: converged after 4 iterations. iteration 1292: trace = 2.393051718982003 (7.22523e-06% change) linmin: converged after 7 iterations. iteration 1293: trace = 2.39305143063593 (1.20493e-05% change) linmin: converged after 4 iterations. iteration 1294: trace = 2.393051301111332 (5.41253e-06% change) linmin: converged after 10 iterations. iteration 1295: trace = 2.393051073815899 (9.49814e-06% change) linmin: converged after 8 iterations. iteration 1296: trace = 2.393050980766919 (3.8883e-06% change) large trace change predicted (8.42128e-06%) linmin: converged after 5 iterations. iteration 1297: trace = 2.393050779248155 (8.421e-06% change) linmin: converged after 20 iterations. iteration 1298: trace = 2.393050700075646 (3.30843e-06% change) linmin: converged after 4 iterations. iteration 1299: trace = 2.393050577158003 (5.13644e-06% change) linmin: converged after 5 iterations. iteration 1300: trace = 2.393050512685025 (2.69418e-06% change) large trace change predicted (5.60134e-06%) linmin: converged after 10 iterations. iteration 1301: trace = 2.393050378643705 (5.60127e-06% change) linmin: converged after 16 iterations. iteration 1302: trace = 2.393050309818964 (2.87603e-06% change) linmin: converged after 22 iterations. iteration 1303: trace = 2.393050263643945 (1.92955e-06% change) linmin: converged after 4 iterations. iteration 1304: trace = 2.393050220657166 (1.79632e-06% change) linmin: converged after 10 iterations. iteration 1305: trace = 2.393050203526576 (7.15847e-07% change) linmin: converged after 4 iterations. iteration 1306: trace = 2.3930501758973 (1.15456e-06% change) linmin: converged after 4 iterations. iteration 1307: trace = 2.393050131205801 (1.86755e-06% change) linmin: converged after 5 iterations. iteration 1308: trace = 2.393050089127964 (1.75833e-06% change) large trace change predicted (4.20362e-06%) linmin: converged after 6 iterations. iteration 1309: trace = 2.393049988533434 (4.20361e-06% change) linmin: converged after 4 iterations. iteration 1310: trace = 2.393049937494488 (2.1328e-06% change) large trace change predicted (8.69199e-06%) linmin: converged after 9 iterations. iteration 1311: trace = 2.393049729492954 (8.6919e-06% change) linmin: converged after 4 iterations. iteration 1312: trace = 2.393049607969515 (5.07818e-06% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.393049501404847 (4.45309e-06% change) linmin: converged after 4 iterations. iteration 1314: trace = 2.393049323187542 (7.44729e-06% change) linmin: converged after 4 iterations. iteration 1315: trace = 2.39304926248731 (2.53652e-06% change) large trace change predicted (7.06838e-06%) linmin: converged after 4 iterations. iteration 1316: trace = 2.393049093338875 (7.06832e-06% change) linmin: converged after 4 iterations. iteration 1317: trace = 2.393049058766344 (1.44471e-06% change) large trace change predicted (4.27578e-06%) linmin: converged after 4 iterations. iteration 1318: trace = 2.393048956446813 (4.2757e-06% change) linmin: converged after 4 iterations. iteration 1319: trace = 2.393048927188473 (1.22264e-06% change) linmin: converged after 10 iterations. iteration 1320: trace = 2.393048899655163 (1.15055e-06% change) large trace change predicted (2.34947e-06%) linmin: converged after 4 iterations. iteration 1321: trace = 2.393048843431763 (2.34945e-06% change) linmin: converged after 4 iterations. iteration 1322: trace = 2.393048816737902 (1.11547e-06% change) large trace change predicted (3.55362e-06%) linmin: converged after 5 iterations. iteration 1323: trace = 2.393048731698826 (3.55359e-06% change) linmin: converged after 4 iterations. iteration 1324: trace = 2.393048703664522 (1.17149e-06% change) large trace change predicted (3.85066e-06%) linmin: converged after 7 iterations. iteration 1325: trace = 2.393048611517881 (3.8506e-06% change) linmin: converged after 4 iterations. iteration 1326: trace = 2.393048579464149 (1.33945e-06% change) large trace change predicted (3.0756e-06%) linmin: converged after 4 iterations. iteration 1327: trace = 2.393048505863385 (3.07561e-06% change) linmin: converged after 10 iterations. iteration 1328: trace = 2.393048443971334 (2.58633e-06% change) linmin: converged after 7 iterations. iteration 1329: trace = 2.393048381534923 (2.60907e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1330: trace = 2.393048328290756 (2.22495e-06% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.393048299015218 (1.22336e-06% change) large trace change predicted (2.55996e-06%) linmin: converged after 4 iterations. iteration 1332: trace = 2.393048237753289 (2.56e-06% change) linmin: converged after 7 iterations. iteration 1333: trace = 2.393048197191078 (1.695e-06% change) linmin: converged after 6 iterations. iteration 1334: trace = 2.393048129759274 (2.81782e-06% change) linmin: converged after 5 iterations. iteration 1335: trace = 2.393048041225096 (3.69964e-06% change) linmin: converged after 10 iterations. iteration 1336: trace = 2.393047995579124 (1.90744e-06% change) linmin: converged after 7 iterations. iteration 1337: trace = 2.393047932543754 (2.6341e-06% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.393047913875658 (7.80097e-07% change) linmin: converged after 4 iterations. iteration 1339: trace = 2.393047876559465 (1.55936e-06% change) linmin: converged after 9 iterations. iteration 1340: trace = 2.393047856457463 (8.40017e-07% change) large trace change predicted (2.36425e-06%) linmin: converged after 4 iterations. iteration 1341: trace = 2.393047799879071 (2.36428e-06% change) linmin: converged after 4 iterations. iteration 1342: trace = 2.393047772283724 (1.15315e-06% change) large trace change predicted (3.23171e-06%) linmin: converged after 7 iterations. iteration 1343: trace = 2.393047694946287 (3.23175e-06% change) linmin: converged after 5 iterations. iteration 1344: trace = 2.393047596511027 (4.11338e-06% change) linmin: converged after 5 iterations. iteration 1345: trace = 2.393047474833821 (5.08461e-06% change) linmin: converged after 11 iterations. iteration 1346: trace = 2.393047338806019 (5.68429e-06% change) linmin: converged after 4 iterations. iteration 1347: trace = 2.393047257982458 (3.37743e-06% change) linmin: converged after 4 iterations. iteration 1348: trace = 2.393047135550511 (5.11615e-06% change) linmin: converged after 14 iterations. iteration 1349: trace = 2.393047097102274 (1.60666e-06% change) large trace change predicted (3.51195e-06%) linmin: converged after 4 iterations. iteration 1350: trace = 2.39304701305934 (3.51196e-06% change) linmin: converged after 4 iterations. iteration 1351: trace = 2.393046984576715 (1.19022e-06% change) linmin: converged after 6 iterations. iteration 1352: trace = 2.393046931180142 (2.23132e-06% change) linmin: converged after 5 iterations. iteration 1353: trace = 2.393046915962283 (6.3592e-07% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.393046897778245 (7.5987e-07% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.393046878039405 (8.24841e-07% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.393046866874994 (4.66535e-07% change) large trace change predicted (1.46683e-06%) linmin: converged after 4 iterations. iteration 1357: trace = 2.393046831773244 (1.46682e-06% change) linmin: converged after 4 iterations. iteration 1358: trace = 2.393046814533188 (7.20423e-07% change) large trace change predicted (3.20676e-06%) linmin: converged after 4 iterations. iteration 1359: trace = 2.393046737793498 (3.20678e-06% change) linmin: converged after 4 iterations. iteration 1360: trace = 2.393046708205591 (1.23641e-06% change) large trace change predicted (4.33715e-06%) linmin: converged after 4 iterations. iteration 1361: trace = 2.39304660441495 (4.33718e-06% change) linmin: converged after 11 iterations. iteration 1362: trace = 2.393046566447987 (1.58655e-06% change) large trace change predicted (5.08932e-06%) linmin: converged after 5 iterations. iteration 1363: trace = 2.393046444655694 (5.08942e-06% change) linmin: converged after 5 iterations. iteration 1364: trace = 2.393046383381343 (2.56052e-06% change) linmin: converged after 18 iterations. iteration 1365: trace = 2.393046267203792 (4.8548e-06% change) linmin: converged after 4 iterations. iteration 1366: trace = 2.393046218720034 (2.02603e-06% change) linmin: converged after 5 iterations. iteration 1367: trace = 2.393046139102549 (3.32704e-06% change) linmin: converged after 4 iterations. iteration 1368: trace = 2.393046039867581 (4.14681e-06% change) linmin: converged after 4 iterations. iteration 1369: trace = 2.393046002691606 (1.5535e-06% change) large trace change predicted (4.61047e-06%) linmin: converged after 7 iterations. iteration 1370: trace = 2.39304589235923 (4.61054e-06% change) linmin: converged after 8 iterations. iteration 1371: trace = 2.39304585265538 (1.65913e-06% change) large trace change predicted (3.91846e-06%) linmin: converged after 2 iterations. iteration 1372: trace = 2.393045758883969 (3.9185e-06% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.393045702494113 (2.35641e-06% change) linmin: converged after 6 iterations. iteration 1374: trace = 2.393045627622473 (3.12872e-06% change) linmin: converged after 4 iterations. iteration 1375: trace = 2.393045587604463 (1.67226e-06% change) linmin: converged after 4 iterations. iteration 1376: trace = 2.393045559868877 (1.15901e-06% change) linmin: converged after 6 iterations. iteration 1377: trace = 2.393045517257147 (1.78065e-06% change) linmin: converged after 4 iterations. iteration 1378: trace = 2.393045504406508 (5.36999e-07% change) large trace change predicted (1.65131e-06%) linmin: converged after 6 iterations. iteration 1379: trace = 2.393045464889901 (1.65131e-06% change) linmin: converged after 4 iterations. iteration 1380: trace = 2.3930454486097 (6.80313e-07% change) large trace change predicted (2.07446e-06%) linmin: converged after 4 iterations. iteration 1381: trace = 2.393045398966872 (2.07446e-06% change) linmin: converged after 4 iterations. iteration 1382: trace = 2.393045369916776 (1.21394e-06% change) large trace change predicted (3.85259e-06%) linmin: converged after 4 iterations. iteration 1383: trace = 2.39304527772303 (3.85257e-06% change) linmin: converged after 7 iterations. iteration 1384: trace = 2.393045250595841 (1.13358e-06% change) large trace change predicted (5.11718e-06%) linmin: converged after 2 iterations. iteration 1385: trace = 2.393045128139787 (5.11716e-06% change) linmin: converged after 4 iterations. iteration 1386: trace = 2.393045070773681 (2.3972e-06% change) linmin: converged after 4 iterations. iteration 1387: trace = 2.393044972639807 (4.1008e-06% change) linmin: converged after 6 iterations. iteration 1388: trace = 2.393044886836283 (3.58554e-06% change) linmin: converged after 5 iterations. iteration 1389: trace = 2.393044837888691 (2.04541e-06% change) large trace change predicted (4.93033e-06%) linmin: converged after 20 iterations. iteration 1390: trace = 2.393044719900148 (4.93048e-06% change) linmin: converged after 5 iterations. iteration 1391: trace = 2.393044676916462 (1.79619e-06% change) linmin: converged after 6 iterations. iteration 1392: trace = 2.393044599321871 (3.2425e-06% change) linmin: converged after 8 iterations. iteration 1393: trace = 2.393044558794039 (1.69357e-06% change) linmin: converged after 5 iterations. iteration 1394: trace = 2.39304453182369 (1.12703e-06% change) large trace change predicted (3.21347e-06%) linmin: converged after 14 iterations. iteration 1395: trace = 2.393044454923096 (3.2135e-06% change) linmin: converged after 10 iterations. iteration 1396: trace = 2.393044427490997 (1.14633e-06% change) linmin: converged after 17 iterations. iteration 1397: trace = 2.39304440311078 (1.01879e-06% change) linmin: converged after 4 iterations. iteration 1398: trace = 2.393044358744777 (1.85396e-06% change) linmin: converged after 10 iterations. iteration 1399: trace = 2.393044343179163 (6.50452e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1400: trace = 2.393044317327115 (1.0803e-06% change) linmin: converged after 7 iterations. iteration 1401: trace = 2.393044305443318 (4.96597e-07% change) large trace change predicted (1.44587e-06%) linmin: converged after 9 iterations. iteration 1402: trace = 2.393044270842982 (1.44587e-06% change) linmin: converged after 4 iterations. iteration 1403: trace = 2.393044258847891 (5.01248e-07% change) large trace change predicted (1.16614e-06%) linmin: converged after 4 iterations. iteration 1404: trace = 2.393044230941894 (1.16613e-06% change) linmin: converged after 5 iterations. iteration 1405: trace = 2.393044209751821 (8.85486e-07% change) linmin: converged after 4 iterations. iteration 1406: trace = 2.393044196817415 (5.405e-07% change) linmin: converged after 4 iterations. iteration 1407: trace = 2.393044176109413 (8.65341e-07% change) linmin: converged after 4 iterations. iteration 1408: trace = 2.393044165731455 (4.33672e-07% change) large trace change predicted (1.11444e-06%) linmin: converged after 9 iterations. iteration 1409: trace = 2.39304413906244 (1.11444e-06% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.39304409266283 (1.93894e-06% change) linmin: converged after 7 iterations. iteration 1411: trace = 2.393044078486318 (5.92405e-07% change) large trace change predicted (2.66756e-06%) linmin: converged after 4 iterations. iteration 1412: trace = 2.393044014650757 (2.66755e-06% change) linmin: converged after 13 iterations. iteration 1413: trace = 2.393043996954741 (7.39477e-07% change) large trace change predicted (3.02008e-06%) linmin: converged after 4 iterations. iteration 1414: trace = 2.393043924683424 (3.02006e-06% change) linmin: converged after 22 iterations. iteration 1415: trace = 2.393043867848928 (2.37499e-06% change) linmin: converged after 6 iterations. iteration 1416: trace = 2.393043789572758 (3.27099e-06% change) linmin: converged after 4 iterations. iteration 1417: trace = 2.393043680263648 (4.56779e-06% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.393043604443347 (3.16836e-06% change) large trace change predicted (7.53611e-06%) linmin: converged after 5 iterations. iteration 1419: trace = 2.393043424104625 (7.53596e-06% change) linmin: converged after 5 iterations. iteration 1420: trace = 2.39304335850579 (2.74123e-06% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.393043254417022 (4.34964e-06% change) linmin: converged after 7 iterations. iteration 1422: trace = 2.393043214948686 (1.64929e-06% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.393043156058355 (2.4609e-06% change) linmin: converged after 7 iterations. iteration 1424: trace = 2.393043140534718 (6.48699e-07% change) large trace change predicted (1.5403e-06%) linmin: converged after 4 iterations. iteration 1425: trace = 2.393043103674845 (1.54029e-06% change) linmin: converged after 4 iterations. iteration 1426: trace = 2.393043096206218 (3.12097e-07% change) large trace change predicted (1.23265e-06%) linmin: converged after 4 iterations. iteration 1427: trace = 2.393043066708647 (1.23264e-06% change) linmin: converged after 4 iterations. iteration 1428: trace = 2.393043056058448 (4.45048e-07% change) linmin: converged after 4 iterations. iteration 1429: trace = 2.393043039632064 (6.86422e-07% change) linmin: converged after 8 iterations. iteration 1430: trace = 2.393043027183602 (5.20194e-07% change) linmin: converged after 7 iterations. iteration 1431: trace = 2.393043008271917 (7.90278e-07% change) linmin: converged after 4 iterations. iteration 1432: trace = 2.39304298706774 (8.86076e-07% change) linmin: converged after 4 iterations. iteration 1433: trace = 2.393042975421163 (4.86685e-07% change) large trace change predicted (1.02001e-06%) linmin: converged after 4 iterations. iteration 1434: trace = 2.393042951012751 (1.01997e-06% change) linmin: converged after 4 iterations. iteration 1435: trace = 2.393042942802929 (3.4307e-07% change) large trace change predicted (1.14417e-06%) linmin: converged after 4 iterations. iteration 1436: trace = 2.393042915422527 (1.14417e-06% change) linmin: converged after 4 iterations. iteration 1437: trace = 2.393042901946042 (5.63153e-07% change) linmin: converged after 4 iterations. iteration 1438: trace = 2.393042881506296 (8.54132e-07% change) linmin: converged after 6 iterations. iteration 1439: trace = 2.393042848905756 (1.3623e-06% change) linmin: converged after 4 iterations. iteration 1440: trace = 2.393042831795804 (7.14987e-07% change) large trace change predicted (1.90196e-06%) linmin: converged after 4 iterations. iteration 1441: trace = 2.393042786282017 (1.90192e-06% change) linmin: converged after 5 iterations. iteration 1442: trace = 2.393042762916123 (9.76409e-07% change) large trace change predicted (2.96397e-06%) linmin: converged after 4 iterations. iteration 1443: trace = 2.393042691987336 (2.96396e-06% change) linmin: converged after 4 iterations. iteration 1444: trace = 2.393042661584713 (1.27046e-06% change) linmin: converged after 6 iterations. iteration 1445: trace = 2.393042635600736 (1.08581e-06% change) linmin: converged after 4 iterations. iteration 1446: trace = 2.393042584170177 (2.14917e-06% change) linmin: converged after 7 iterations. iteration 1447: trace = 2.393042571609209 (5.24895e-07% change) linmin: converged after 5 iterations. iteration 1448: trace = 2.39304254672289 (1.03994e-06% change) linmin: converged after 4 iterations. iteration 1449: trace = 2.393042537491473 (3.85761e-07% change) linmin: converged after 4 iterations. iteration 1450: trace = 2.393042523151057 (5.99255e-07% change) linmin: converged after 4 iterations. iteration 1451: trace = 2.393042515401576 (3.23834e-07% change) linmin: converged after 5 iterations. iteration 1452: trace = 2.393042508762096 (2.77449e-07% change) linmin: converged after 5 iterations. iteration 1453: trace = 2.393042498119603 (4.44726e-07% change) linmin: converged after 4 iterations. iteration 1454: trace = 2.393042495550245 (1.07368e-07% change) large trace change predicted (3.63934e-07%) linmin: converged after 4 iterations. iteration 1455: trace = 2.393042486840826 (3.63948e-07% change) linmin: converged after 15 iterations. iteration 1456: trace = 2.393042482976052 (1.615e-07% change) large trace change predicted (4.02781e-07%) linmin: converged after 4 iterations. iteration 1457: trace = 2.393042473337595 (4.0277e-07% change) linmin: converged after 4 iterations. iteration 1458: trace = 2.393042466889655 (2.69445e-07% change) large trace change predicted (6.96831e-07%) linmin: converged after 6 iterations. iteration 1459: trace = 2.393042450214296 (6.96827e-07% change) linmin: converged after 13 iterations. iteration 1460: trace = 2.393042435095394 (6.31786e-07% change) large trace change predicted (1.29455e-06%) linmin: converged after 4 iterations. iteration 1461: trace = 2.393042404115828 (1.29457e-06% change) linmin: converged after 4 iterations. iteration 1462: trace = 2.393042360797549 (1.81018e-06% change) linmin: converged after 5 iterations. iteration 1463: trace = 2.393042331725098 (1.21487e-06% change) large trace change predicted (2.61606e-06%) linmin: converged after 4 iterations. iteration 1464: trace = 2.3930422691221 (2.61604e-06% change) linmin: converged after 4 iterations. iteration 1465: trace = 2.393042245090208 (1.00424e-06% change) linmin: converged after 4 iterations. iteration 1466: trace = 2.393042202360237 (1.78559e-06% change) linmin: converged after 4 iterations. iteration 1467: trace = 2.393042186873802 (6.47144e-07% change) linmin: converged after 4 iterations. iteration 1468: trace = 2.393042159970332 (1.12424e-06% change) linmin: converged after 7 iterations. iteration 1469: trace = 2.393042147368954 (5.26584e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1470: trace = 2.393042136548106 (4.5218e-07% change) linmin: converged after 5 iterations. iteration 1471: trace = 2.393042120431873 (6.73462e-07% change) linmin: converged after 13 iterations. iteration 1472: trace = 2.393042100687925 (8.25056e-07% change) linmin: converged after 10 iterations. iteration 1473: trace = 2.393042086277536 (6.02179e-07% change) large trace change predicted (1.28027e-06%) linmin: converged after 11 iterations. iteration 1474: trace = 2.393042055640114 (1.28027e-06% change) linmin: converged after 4 iterations. iteration 1475: trace = 2.393042046666956 (3.74969e-07% change) large trace change predicted (1.10879e-06%) linmin: converged after 4 iterations. iteration 1476: trace = 2.393042020132585 (1.10881e-06% change) linmin: converged after 6 iterations. iteration 1477: trace = 2.393042014240082 (2.46235e-07% change) large trace change predicted (5.5522e-07%) linmin: converged after 4 iterations. iteration 1478: trace = 2.393042000952688 (5.55251e-07% change) linmin: converged after 9 iterations. iteration 1479: trace = 2.393041993325322 (3.18731e-07% change) linmin: converged after 4 iterations. iteration 1480: trace = 2.393041985948087 (3.08279e-07% change) large trace change predicted (6.94694e-07%) linmin: converged after 5 iterations. iteration 1481: trace = 2.393041969323515 (6.94705e-07% change) linmin: converged after 4 iterations. iteration 1482: trace = 2.39304195675522 (5.25202e-07% change) large trace change predicted (1.11844e-06%) linmin: converged after 3 iterations. iteration 1483: trace = 2.393041929990341 (1.11845e-06% change) linmin: converged after 6 iterations. iteration 1484: trace = 2.393041881010526 (2.04676e-06% change) linmin: converged after 4 iterations. iteration 1485: trace = 2.393041865018243 (6.68283e-07% change) large trace change predicted (1.95539e-06%) linmin: converged after 4 iterations. iteration 1486: trace = 2.393041818225622 (1.95536e-06% change) linmin: converged after 4 iterations. iteration 1487: trace = 2.393041786233193 (1.33689e-06% change) linmin: converged after 4 iterations. iteration 1488: trace = 2.393041764731115 (8.98525e-07% change) linmin: converged after 4 iterations. iteration 1489: trace = 2.393041732595506 (1.34288e-06% change) linmin: converged after 5 iterations. iteration 1490: trace = 2.393041726403632 (2.58745e-07% change) large trace change predicted (6.73454e-07%) linmin: converged after 4 iterations. iteration 1491: trace = 2.393041710287322 (6.73465e-07% change) linmin: converged after 3 iterations. iteration 1492: trace = 2.39304170358024 (2.80274e-07% change) linmin: converged after 4 iterations. iteration 1493: trace = 2.39304169836967 (2.17738e-07% change) linmin: converged after 4 iterations. iteration 1494: trace = 2.393041688544389 (4.10577e-07% change) linmin: converged after 4 iterations. iteration 1495: trace = 2.39304168054873 (3.34121e-07% change) linmin: converged after 4 iterations. iteration 1496: trace = 2.393041670164577 (4.33931e-07% change) linmin: converged after 4 iterations. iteration 1497: trace = 2.393041649895999 (8.4698e-07% change) linmin: converged after 3 iterations. iteration 1498: trace = 2.393041641532912 (3.49475e-07% change) large trace change predicted (9.06592e-07%) linmin: converged after 6 iterations. iteration 1499: trace = 2.393041619837381 (9.06609e-07% change) linmin: converged after 7 iterations. iteration 1500: trace = 2.393041593964983 (1.08115e-06% change) linmin: converged after 4 iterations. iteration 1501: trace = 2.393041575070336 (7.89566e-07% change) large trace change predicted (1.57987e-06%) linmin: converged after 7 iterations. iteration 1502: trace = 2.393041537263086 (1.57988e-06% change) linmin: converged after 4 iterations. iteration 1503: trace = 2.393041525101689 (5.08198e-07% change) large trace change predicted (2.48299e-06%) linmin: converged after 5 iterations. iteration 1504: trace = 2.393041465681474 (2.48304e-06% change) linmin: converged after 4 iterations. iteration 1505: trace = 2.393041434254244 (1.31328e-06% change) linmin: converged after 4 iterations. iteration 1506: trace = 2.393041385020626 (2.05737e-06% change) linmin: converged after 4 iterations. iteration 1507: trace = 2.393041340422551 (1.86366e-06% change) linmin: converged after 4 iterations. iteration 1508: trace = 2.393041326245856 (5.92413e-07% change) large trace change predicted (1.18774e-06%) linmin: converged after 5 iterations. iteration 1509: trace = 2.393041297822866 (1.18774e-06% change) linmin: converged after 4 iterations. iteration 1510: trace = 2.393041288709364 (3.80833e-07% change) linmin: converged after 15 iterations. iteration 1511: trace = 2.393041272254406 (6.87617e-07% change) linmin: converged after 4 iterations. iteration 1512: trace = 2.393041265101723 (2.98895e-07% change) linmin: converged after 4 iterations. iteration 1513: trace = 2.393041254927728 (4.25149e-07% change) linmin: converged after 4 iterations. iteration 1514: trace = 2.393041246505341 (3.51953e-07% change) linmin: converged after 4 iterations. iteration 1515: trace = 2.393041239630398 (2.87289e-07% change) large trace change predicted (9.37233e-07%) linmin: converged after 4 iterations. iteration 1516: trace = 2.39304121720214 (9.37228e-07% change) linmin: converged after 4 iterations. iteration 1517: trace = 2.393041209533915 (3.20438e-07% change) large trace change predicted (2.15833e-06%) linmin: converged after 4 iterations. iteration 1518: trace = 2.393041157884193 (2.15833e-06% change) linmin: converged after 4 iterations. iteration 1519: trace = 2.393041143204537 (6.13431e-07% change) linmin: converged after 5 iterations. iteration 1520: trace = 2.393041117377532 (1.07925e-06% change) linmin: converged after 5 iterations. iteration 1521: trace = 2.393041086670575 (1.28318e-06% change) linmin: converged after 4 iterations. iteration 1522: trace = 2.393041071073566 (6.51765e-07% change) large trace change predicted (1.91148e-06%) linmin: converged after 4 iterations. iteration 1523: trace = 2.393041025330543 (1.9115e-06% change) linmin: converged after 11 iterations. iteration 1524: trace = 2.393041014386847 (4.57313e-07% change) large trace change predicted (1.44187e-06%) linmin: converged after 2 iterations. iteration 1525: trace = 2.393040979882485 (1.44186e-06% change) linmin: converged after 8 iterations. iteration 1526: trace = 2.393040972922209 (2.90855e-07% change) linmin: converged after 9 iterations. iteration 1527: trace = 2.393040959635565 (5.5522e-07% change) linmin: converged after 4 iterations. iteration 1528: trace = 2.393040948763026 (4.5434e-07% change) linmin: converged after 11 iterations. iteration 1529: trace = 2.393040929348199 (8.11304e-07% change) linmin: converged after 6 iterations. iteration 1530: trace = 2.393040912492855 (7.04348e-07% change) linmin: converged after 4 iterations. iteration 1531: trace = 2.393040904353395 (3.4013e-07% change) linmin: converged after 4 iterations. iteration 1532: trace = 2.393040895074797 (3.87733e-07% change) linmin: converged after 7 iterations. iteration 1533: trace = 2.393040887966783 (2.97029e-07% change) linmin: converged after 4 iterations. iteration 1534: trace = 2.39304088473714 (1.3496e-07% change) linmin: converged after 4 iterations. iteration 1535: trace = 2.393040879782963 (2.07024e-07% change) linmin: converged after 4 iterations. iteration 1536: trace = 2.393040875433655 (1.81748e-07% change) linmin: converged after 4 iterations. iteration 1537: trace = 2.393040870054897 (2.24767e-07% change) linmin: converged after 6 iterations. iteration 1538: trace = 2.393040868133536 (8.02895e-08% change) large trace change predicted (5.60159e-07%) linmin: converged after 6 iterations. iteration 1539: trace = 2.393040854728649 (5.60161e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1540: trace = 2.393040846794583 (3.31547e-07% change) linmin: converged after 4 iterations. iteration 1541: trace = 2.393040839758284 (2.94032e-07% change) linmin: converged after 4 iterations. iteration 1542: trace = 2.39304083543161 (1.80802e-07% change) linmin: converged after 5 iterations. iteration 1543: trace = 2.393040830813279 (1.9299e-07% change) linmin: converged after 9 iterations. iteration 1544: trace = 2.393040822632801 (3.41844e-07% change) linmin: converged after 4 iterations. iteration 1545: trace = 2.393040820074101 (1.06923e-07% change) large trace change predicted (4.14473e-07%) linmin: converged after 4 iterations. iteration 1546: trace = 2.393040810155397 (4.14481e-07% change) linmin: converged after 4 iterations. iteration 1547: trace = 2.393040806324217 (1.60097e-07% change) large trace change predicted (6.23616e-07%) linmin: converged after 4 iterations. iteration 1548: trace = 2.393040791400556 (6.23628e-07% change) linmin: converged after 4 iterations. iteration 1549: trace = 2.393040783576778 (3.26939e-07% change) large trace change predicted (6.86578e-07%) linmin: converged after 4 iterations. iteration 1550: trace = 2.393040767146828 (6.86572e-07% change) linmin: converged after 6 iterations. iteration 1551: trace = 2.393040755370885 (4.92091e-07% change) linmin: converged after 4 iterations. iteration 1552: trace = 2.393040745746947 (4.02164e-07% change) large trace change predicted (9.1558e-07%) linmin: converged after 4 iterations. iteration 1553: trace = 2.393040723837213 (9.1556e-07% change) linmin: converged after 14 iterations. iteration 1554: trace = 2.393040712715856 (4.64737e-07% change) large trace change predicted (1.22891e-06%) linmin: converged after 4 iterations. iteration 1555: trace = 2.393040683307668 (1.2289e-06% change) linmin: converged after 4 iterations. iteration 1556: trace = 2.39304067525139 (3.36654e-07% change) large trace change predicted (9.39644e-07%) linmin: converged after 4 iterations. iteration 1557: trace = 2.393040652765202 (9.39649e-07% change) linmin: converged after 4 iterations. iteration 1558: trace = 2.393040635201327 (7.33956e-07% change) linmin: converged after 4 iterations. iteration 1559: trace = 2.393040616804273 (7.68773e-07% change) linmin: converged after 4 iterations. iteration 1560: trace = 2.393040588653364 (1.17637e-06% change) linmin: converged after 13 iterations. iteration 1561: trace = 2.393040576846696 (4.93375e-07% change) linmin: converged after 4 iterations. iteration 1562: trace = 2.393040562742854 (5.89369e-07% change) linmin: converged after 16 iterations. iteration 1563: trace = 2.393040558864877 (1.62052e-07% change) linmin: converged after 8 iterations. iteration 1564: trace = 2.393040551966171 (2.88282e-07% change) linmin: converged after 4 iterations. iteration 1565: trace = 2.393040545470763 (2.71429e-07% change) linmin: converged after 9 iterations. iteration 1566: trace = 2.393040539815847 (2.36307e-07% change) linmin: converged after 13 iterations. iteration 1567: trace = 2.39304052929807 (4.39515e-07% change) linmin: converged after 4 iterations. iteration 1568: trace = 2.393040525338454 (1.65464e-07% change) large trace change predicted (5.71985e-07%) linmin: converged after 17 iterations. iteration 1569: trace = 2.393040511650633 (5.71985e-07% change) linmin: converged after 7 iterations. iteration 1570: trace = 2.393040503011514 (3.6101e-07% change) linmin: converged after 4 iterations. iteration 1571: trace = 2.393040489915184 (5.47267e-07% change) large trace change predicted (1.32425e-06%) linmin: converged after 4 iterations. iteration 1572: trace = 2.393040458225228 (1.32425e-06% change) linmin: converged after 7 iterations. iteration 1573: trace = 2.393040447293773 (4.56802e-07% change) large trace change predicted (1.44134e-06%) linmin: converged after 4 iterations. iteration 1574: trace = 2.393040412802363 (1.44132e-06% change) linmin: converged after 4 iterations. iteration 1575: trace = 2.393040405226142 (3.16594e-07% change) large trace change predicted (8.9362e-07%) linmin: converged after 4 iterations. iteration 1576: trace = 2.393040383841121 (8.93634e-07% change) linmin: converged after 4 iterations. iteration 1577: trace = 2.393040378425415 (2.26311e-07% change) linmin: converged after 3 iterations. iteration 1578: trace = 2.393040368090171 (4.31888e-07% change) linmin: converged after 4 iterations. iteration 1579: trace = 2.393040362721061 (2.24364e-07% change) linmin: converged after 4 iterations. iteration 1580: trace = 2.393040355559958 (2.99247e-07% change) linmin: converged after 4 iterations. iteration 1581: trace = 2.393040349616177 (2.48378e-07% change) linmin: converged after 4 iterations. iteration 1582: trace = 2.393040342680266 (2.89837e-07% change) linmin: converged after 4 iterations. iteration 1583: trace = 2.393040339779458 (1.21218e-07% change) large trace change predicted (2.53118e-07%) linmin: converged after 4 iterations. iteration 1584: trace = 2.393040333722471 (2.53108e-07% change) linmin: converged after 4 iterations. iteration 1585: trace = 2.393040332403908 (5.50999e-08% change) large trace change predicted (1.17414e-07%) linmin: converged after 3 iterations. iteration 1586: trace = 2.39304032959441 (1.17403e-07% change) linmin: converged after 4 iterations. iteration 1587: trace = 2.393040327573919 (8.4432e-08% change) linmin: converged after 5 iterations. iteration 1588: trace = 2.393040324923278 (1.10765e-07% change) linmin: converged after 9 iterations. iteration 1589: trace = 2.393040321174981 (1.56633e-07% change) linmin: converged after 4 iterations. iteration 1590: trace = 2.39304031728698 (1.62471e-07% change) large trace change predicted (3.43055e-07%) linmin: converged after 7 iterations. iteration 1591: trace = 2.393040309077787 (3.43044e-07% change) linmin: converged after 4 iterations. iteration 1592: trace = 2.39304030319758 (2.45721e-07% change) large trace change predicted (5.00735e-07%) linmin: converged after 7 iterations. iteration 1593: trace = 2.393040291214803 (5.00734e-07% change) linmin: converged after 4 iterations. iteration 1594: trace = 2.393040285657796 (2.32215e-07% change) large trace change predicted (7.5518e-07%) linmin: converged after 4 iterations. iteration 1595: trace = 2.39304026758619 (7.55174e-07% change) linmin: converged after 5 iterations. iteration 1596: trace = 2.393040260156152 (3.10485e-07% change) linmin: converged after 5 iterations. iteration 1597: trace = 2.39304024849246 (4.87401e-07% change) linmin: converged after 5 iterations. iteration 1598: trace = 2.393040241879537 (2.7634e-07% change) linmin: converged after 4 iterations. iteration 1599: trace = 2.393040233351875 (3.56353e-07% change) linmin: converged after 4 iterations. iteration 1600: trace = 2.393040228954549 (1.83755e-07% change) linmin: converged after 5 iterations. iteration 1601: trace = 2.393040225950311 (1.25541e-07% change) linmin: converged after 4 iterations. iteration 1602: trace = 2.393040222668372 (1.37145e-07% change) linmin: converged after 4 iterations. iteration 1603: trace = 2.393040221259799 (5.88612e-08% change) large trace change predicted (1.7018e-07%) linmin: converged after 5 iterations. iteration 1604: trace = 2.393040217187468 (1.70174e-07% change) linmin: converged after 4 iterations. iteration 1605: trace = 2.393040215517221 (6.9796e-08% change) large trace change predicted (3.49481e-07%) linmin: converged after 5 iterations. iteration 1606: trace = 2.393040207153975 (3.49482e-07% change) linmin: converged after 4 iterations. iteration 1607: trace = 2.393040202462497 (1.96047e-07% change) linmin: converged after 4 iterations. iteration 1608: trace = 2.393040195280202 (3.00133e-07% change) linmin: converged after 8 iterations. iteration 1609: trace = 2.393040189667386 (2.34547e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1610: trace = 2.39304018718256 (1.03836e-07% change) linmin: converged after 9 iterations. iteration 1611: trace = 2.393040182931914 (1.77625e-07% change) linmin: converged after 4 iterations. iteration 1612: trace = 2.393040178208604 (1.97377e-07% change) linmin: converged after 4 iterations. iteration 1613: trace = 2.393040175099676 (1.29915e-07% change) linmin: converged after 4 iterations. iteration 1614: trace = 2.393040169009963 (2.54476e-07% change) linmin: converged after 3 iterations. iteration 1615: trace = 2.39304016378598 (2.18299e-07% change) linmin: converged after 4 iterations. iteration 1616: trace = 2.393040160235442 (1.48369e-07% change) linmin: converged after 4 iterations. iteration 1617: trace = 2.39304015486111 (2.24582e-07% change) linmin: converged after 3 iterations. iteration 1618: trace = 2.39304015328522 (6.5853e-08% change) large trace change predicted (1.99454e-07%) linmin: converged after 8 iterations. iteration 1619: trace = 2.393040148512031 (1.99461e-07% change) linmin: converged after 3 iterations. iteration 1620: trace = 2.393040146285257 (9.30521e-08% change) linmin: converged after 8 iterations. iteration 1621: trace = 2.393040143599275 (1.12241e-07% change) large trace change predicted (3.1216e-07%) linmin: converged after 4 iterations. iteration 1622: trace = 2.393040136129033 (3.12165e-07% change) linmin: converged after 6 iterations. iteration 1623: trace = 2.393040131772109 (1.82066e-07% change) large trace change predicted (7.17307e-07%) linmin: converged after 5 iterations. iteration 1624: trace = 2.393040114606595 (7.1731e-07% change) linmin: converged after 4 iterations. iteration 1625: trace = 2.393040103331501 (4.71162e-07% change) linmin: converged after 4 iterations. iteration 1626: trace = 2.393040090893176 (5.19771e-07% change) linmin: converged after 12 iterations. iteration 1627: trace = 2.393040085166731 (2.39296e-07% change) linmin: converged after 4 iterations. iteration 1628: trace = 2.393040082167952 (1.25313e-07% change) linmin: converged after 4 iterations. iteration 1629: trace = 2.393040077925505 (1.77283e-07% change) linmin: converged after 4 iterations. iteration 1630: trace = 2.393040077041571 (3.69377e-08% change) large trace change predicted (1.20255e-07%) linmin: converged after 4 iterations. iteration 1631: trace = 2.393040074163912 (1.20251e-07% change) linmin: converged after 5 iterations. iteration 1632: trace = 2.393040073018217 (4.78761e-08% change) large trace change predicted (1.5778e-07%) linmin: converged after 4 iterations. iteration 1633: trace = 2.393040069242464 (1.57781e-07% change) linmin: converged after 4 iterations. iteration 1634: trace = 2.393040066056172 (1.33148e-07% change) linmin: converged after 7 iterations. iteration 1635: trace = 2.393040064186434 (7.81323e-08% change) large trace change predicted (2.17729e-07%) linmin: converged after 4 iterations. iteration 1636: trace = 2.393040058975924 (2.17736e-07% change) linmin: converged after 18 iterations. iteration 1637: trace = 2.393040056631994 (9.79478e-08% change) large trace change predicted (2.06355e-07%) linmin: converged after 21 iterations. iteration 1638: trace = 2.393040051693809 (2.06356e-07% change) linmin: converged after 7 iterations. iteration 1639: trace = 2.393040044919326 (2.83091e-07% change) linmin: converged after 4 iterations. iteration 1640: trace = 2.393040038455272 (2.70119e-07% change) large trace change predicted (6.5649e-07%) linmin: converged after 4 iterations. iteration 1641: trace = 2.393040022745184 (6.56491e-07% change) linmin: converged after 4 iterations. iteration 1642: trace = 2.393040017785466 (2.07256e-07% change) large trace change predicted (5.7597e-07%) linmin: converged after 13 iterations. iteration 1643: trace = 2.393040004001944 (5.75984e-07% change) linmin: converged after 4 iterations. iteration 1644: trace = 2.393039992584766 (4.77099e-07% change) linmin: converged after 8 iterations. iteration 1645: trace = 2.393039986722047 (2.4499e-07% change) large trace change predicted (6.18843e-07%) linmin: converged after 4 iterations. iteration 1646: trace = 2.393039971912742 (6.18849e-07% change) linmin: converged after 4 iterations. iteration 1647: trace = 2.393039968652185 (1.36252e-07% change) large trace change predicted (4.0906e-07%) linmin: converged after 4 iterations. iteration 1648: trace = 2.393039958862991 (4.09069e-07% change) linmin: converged after 4 iterations. iteration 1649: trace = 2.393039955687987 (1.32677e-07% change) linmin: converged after 4 iterations. iteration 1650: trace = 2.393039952499427 (1.33243e-07% change) linmin: converged after 17 iterations. iteration 1651: trace = 2.393039948875656 (1.5143e-07% change) linmin: converged after 15 iterations. iteration 1652: trace = 2.393039947780938 (4.57459e-08% change) large trace change predicted (1.43921e-07%) linmin: converged after 8 iterations. iteration 1653: trace = 2.393039944337343 (1.439e-07% change) linmin: converged after 4 iterations. iteration 1654: trace = 2.393039940819313 (1.47011e-07% change) linmin: converged after 4 iterations. iteration 1655: trace = 2.393039933794701 (2.93543e-07% change) linmin: converged after 11 iterations. iteration 1656: trace = 2.393039926019022 (3.24929e-07% change) linmin: converged after 3 iterations. iteration 1657: trace = 2.393039918181645 (3.27507e-07% change) linmin: converged after 3 iterations. iteration 1658: trace = 2.393039904667981 (5.64707e-07% change) linmin: converged after 4 iterations. iteration 1659: trace = 2.39303989890842 (2.4068e-07% change) linmin: converged after 6 iterations. iteration 1660: trace = 2.39303989132106 (3.1706e-07% change) linmin: converged after 5 iterations. iteration 1661: trace = 2.393039883645333 (3.20752e-07% change) linmin: converged after 4 iterations. iteration 1662: trace = 2.393039879392801 (1.77704e-07% change) linmin: converged after 4 iterations. iteration 1663: trace = 2.393039872002189 (3.08838e-07% change) linmin: converged after 6 iterations. iteration 1664: trace = 2.393039869276012 (1.13921e-07% change) large trace change predicted (2.59296e-07%) linmin: converged after 4 iterations. iteration 1665: trace = 2.393039863070807 (2.59302e-07% change) linmin: converged after 4 iterations. iteration 1666: trace = 2.393039858189046 (2.03998e-07% change) linmin: converged after 5 iterations. iteration 1667: trace = 2.393039856356828 (7.65645e-08% change) large trace change predicted (2.25229e-07%) linmin: converged after 4 iterations. iteration 1668: trace = 2.393039850966869 (2.25235e-07% change) linmin: converged after 4 iterations. iteration 1669: trace = 2.393039849961905 (4.19953e-08% change) large trace change predicted (1.31283e-07%) linmin: converged after 4 iterations. iteration 1670: trace = 2.393039846820505 (1.31272e-07% change) linmin: converged after 4 iterations. iteration 1671: trace = 2.393039844534271 (9.55368e-08% change) linmin: converged after 4 iterations. iteration 1672: trace = 2.393039843655392 (3.67265e-08% change) large trace change predicted (9.20826e-08%) linmin: converged after 4 iterations. iteration 1673: trace = 2.393039841451974 (9.20761e-08% change) linmin: converged after 6 iterations. iteration 1674: trace = 2.393039840143291 (5.4687e-08% change) large trace change predicted (2.01592e-07%) linmin: converged after 4 iterations. iteration 1675: trace = 2.393039835318635 (2.01612e-07% change) linmin: converged after 4 iterations. iteration 1676: trace = 2.393039832311233 (1.25673e-07% change) large trace change predicted (3.40831e-07%) linmin: converged after 4 iterations. iteration 1677: trace = 2.393039824154822 (3.40839e-07% change) large trace change predicted (9.72107e-07%) linmin: converged after 4 iterations. iteration 1678: trace = 2.393039800892087 (9.721e-07% change) linmin: converged after 7 iterations. iteration 1679: trace = 2.39303977955218 (8.91749e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1680: trace = 2.393039764010439 (6.49456e-07% change) linmin: converged after 4 iterations. iteration 1681: trace = 2.393039750055962 (5.83128e-07% change) linmin: converged after 4 iterations. iteration 1682: trace = 2.393039739693763 (4.33014e-07% change) linmin: converged after 4 iterations. iteration 1683: trace = 2.393039736613394 (1.28722e-07% change) linmin: converged after 4 iterations. iteration 1684: trace = 2.393039730625631 (2.50216e-07% change) linmin: converged after 4 iterations. iteration 1685: trace = 2.393039729934849 (2.88663e-08% change) large trace change predicted (7.98981e-08%) linmin: converged after 21 iterations. iteration 1686: trace = 2.393039728022628 (7.99076e-08% change) linmin: converged after 4 iterations. iteration 1687: trace = 2.39303972641626 (6.71267e-08% change) linmin: converged after 15 iterations. iteration 1688: trace = 2.393039725780088 (2.65842e-08% change) large trace change predicted (6.05568e-08%) linmin: converged after 4 iterations. iteration 1689: trace = 2.393039724331282 (6.05425e-08% change) linmin: converged after 5 iterations. iteration 1690: trace = 2.393039721840434 (1.04087e-07% change) linmin: converged after 4 iterations. iteration 1691: trace = 2.393039720421821 (5.92808e-08% change) large trace change predicted (1.84038e-07%) linmin: converged after 21 iterations. iteration 1692: trace = 2.393039716017662 (1.8404e-07% change) linmin: converged after 2 iterations. iteration 1693: trace = 2.393039713790926 (9.30505e-08% change) linmin: converged after 4 iterations. iteration 1694: trace = 2.393039710845707 (1.23074e-07% change) linmin: converged after 3 iterations. iteration 1695: trace = 2.393039707018541 (1.59929e-07% change) linmin: converged after 4 iterations. iteration 1696: trace = 2.393039704780546 (9.3521e-08% change) large trace change predicted (2.38218e-07%) linmin: converged after 4 iterations. iteration 1697: trace = 2.3930396990801 (2.38209e-07% change) linmin: converged after 4 iterations. iteration 1698: trace = 2.393039694084266 (2.08765e-07% change) linmin: converged after 4 iterations. iteration 1699: trace = 2.393039692247144 (7.67694e-08% change) large trace change predicted (2.55589e-07%) linmin: converged after 12 iterations. iteration 1700: trace = 2.393039686131317 (2.55567e-07% change) linmin: converged after 3 iterations. iteration 1701: trace = 2.393039682285895 (1.60692e-07% change) linmin: converged after 6 iterations. iteration 1702: trace = 2.39303967855377 (1.55957e-07% change) linmin: converged after 2 iterations. iteration 1703: trace = 2.393039673036079 (2.30572e-07% change) linmin: converged after 4 iterations. iteration 1704: trace = 2.393039671430901 (6.70769e-08% change) linmin: converged after 4 iterations. iteration 1705: trace = 2.393039668355911 (1.28497e-07% change) linmin: converged after 5 iterations. iteration 1706: trace = 2.393039667680652 (2.82176e-08% change) linmin: converged after 4 iterations. iteration 1707: trace = 2.393039666376056 (5.45163e-08% change) linmin: converged after 6 iterations. iteration 1708: trace = 2.393039665824615 (2.30435e-08% change) large trace change predicted (4.93479e-08%) linmin: converged after 12 iterations. iteration 1709: trace = 2.393039664643942 (4.93378e-08% change) linmin: converged after 5 iterations. iteration 1710: trace = 2.393039663040258 (6.70145e-08% change) linmin: converged after 6 iterations. iteration 1711: trace = 2.393039661111772 (8.05873e-08% change) linmin: converged after 4 iterations. iteration 1712: trace = 2.393039657473133 (1.52051e-07% change) linmin: converged after 4 iterations. iteration 1713: trace = 2.393039655456989 (8.42504e-08% change) large trace change predicted (2.23248e-07%) linmin: converged after 3 iterations. iteration 1714: trace = 2.393039650114785 (2.23239e-07% change) linmin: converged after 4 iterations. iteration 1715: trace = 2.393039647737429 (9.93446e-08% change) linmin: converged after 18 iterations. iteration 1716: trace = 2.393039643349094 (1.83379e-07% change) linmin: converged after 15 iterations. iteration 1717: trace = 2.393039639653405 (1.54435e-07% change) linmin: converged after 7 iterations. iteration 1718: trace = 2.39303963643279 (1.34583e-07% change) linmin: converged after 4 iterations. iteration 1719: trace = 2.393039632658464 (1.57721e-07% change) linmin: converged after 9 iterations. iteration 1720: trace = 2.393039631218924 (6.01553e-08% change) large trace change predicted (1.30652e-07%) linmin: converged after 3 iterations. iteration 1721: trace = 2.393039628092728 (1.30637e-07% change) linmin: converged after 2 iterations. iteration 1722: trace = 2.393039627286453 (3.36925e-08% change) linmin: converged after 4 iterations. iteration 1723: trace = 2.393039625736548 (6.47672e-08% change) linmin: converged after 24 iterations. iteration 1724: trace = 2.393039624649981 (4.54053e-08% change) linmin: converged after 7 iterations. iteration 1725: trace = 2.393039623860726 (3.29813e-08% change) linmin: converged after 4 iterations. iteration 1726: trace = 2.39303962257965 (5.35334e-08% change) linmin: converged after 4 iterations. iteration 1727: trace = 2.39303962206265 (2.16043e-08% change) linmin: converged after 9 iterations. iteration 1728: trace = 2.393039621317967 (3.11187e-08% change) linmin: converged after 4 iterations. iteration 1729: trace = 2.393039620836857 (2.01045e-08% change) linmin: converged after 4 iterations. iteration 1730: trace = 2.393039620220901 (2.57395e-08% change) linmin: converged after 12 iterations. iteration 1731: trace = 2.393039619854805 (1.52984e-08% change) large trace change predicted (5.47441e-08%) linmin: converged after 15 iterations. iteration 1732: trace = 2.39303961854509 (5.47302e-08% change) linmin: converged after 6 iterations. iteration 1733: trace = 2.393039617970964 (2.39915e-08% change) large trace change predicted (8.7852e-08%) linmin: converged after 6 iterations. iteration 1734: trace = 2.393039615868747 (8.78472e-08% change) linmin: converged after 4 iterations. iteration 1735: trace = 2.393039614439605 (5.97208e-08% change) large trace change predicted (1.21435e-07%) linmin: converged after 8 iterations. iteration 1736: trace = 2.393039611533673 (1.21433e-07% change) linmin: converged after 4 iterations. iteration 1737: trace = 2.393039609270611 (9.45685e-08% change) linmin: converged after 4 iterations. iteration 1738: trace = 2.393039605687984 (1.4971e-07% change) linmin: converged after 4 iterations. iteration 1739: trace = 2.393039604795215 (3.73069e-08% change) large trace change predicted (1.06678e-07%) linmin: converged after 3 iterations. iteration 1740: trace = 2.393039602242241 (1.06683e-07% change) linmin: converged after 8 iterations. iteration 1741: trace = 2.393039601477468 (3.19582e-08% change) linmin: converged after 4 iterations. iteration 1742: trace = 2.393039600237158 (5.18299e-08% change) linmin: converged after 7 iterations. iteration 1743: trace = 2.393039599567867 (2.79682e-08% change) linmin: converged after 5 iterations. iteration 1744: trace = 2.393039599073902 (2.06418e-08% change) linmin: converged after 3 iterations. iteration 1745: trace = 2.393039598422529 (2.72195e-08% change) linmin: converged after 8 iterations. iteration 1746: trace = 2.393039598036147 (1.61461e-08% change) large trace change predicted (4.51394e-08%) linmin: converged after 8 iterations. iteration 1747: trace = 2.393039596956115 (4.51322e-08% change) linmin: converged after 14 iterations. iteration 1748: trace = 2.393039596321787 (2.65072e-08% change) large trace change predicted (7.90315e-08%) linmin: converged after 15 iterations. iteration 1749: trace = 2.393039594430727 (7.90233e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1750: trace = 2.393039593907173 (2.18782e-08% change) linmin: converged after 4 iterations. iteration 1751: trace = 2.393039593420764 (2.0326e-08% change) linmin: converged after 4 iterations. iteration 1752: trace = 2.39303959273847 (2.85116e-08% change) linmin: converged after 3 iterations. iteration 1753: trace = 2.393039592362321 (1.57185e-08% change) linmin: converged after 3 iterations. iteration 1754: trace = 2.393039591834003 (2.20773e-08% change) large trace change predicted (5.85305e-08%) linmin: converged after 18 iterations. iteration 1755: trace = 2.393039590433271 (5.85336e-08% change) linmin: converged after 4 iterations. iteration 1756: trace = 2.393039590085956 (1.45136e-08% change) large trace change predicted (7.01621e-08%) linmin: converged after 5 iterations. iteration 1757: trace = 2.393039588406655 (7.01744e-08% change) linmin: converged after 16 iterations. iteration 1758: trace = 2.393039586857253 (6.47462e-08% change) linmin: converged after 4 iterations. iteration 1759: trace = 2.393039586270855 (2.45043e-08% change) large trace change predicted (6.00454e-08%) linmin: converged after 4 iterations. iteration 1760: trace = 2.393039584833722 (6.00547e-08% change) linmin: converged after 12 iterations. iteration 1761: trace = 2.393039583698161 (4.74526e-08% change) linmin: converged after 4 iterations. iteration 1762: trace = 2.393039583088097 (2.54933e-08% change) large trace change predicted (1.17534e-07%) linmin: converged after 4 iterations. iteration 1763: trace = 2.393039580275759 (1.17522e-07% change) linmin: converged after 4 iterations. iteration 1764: trace = 2.393039579470448 (3.36522e-08% change) large trace change predicted (1.21013e-07%) linmin: converged after 3 iterations. iteration 1765: trace = 2.393039576574571 (1.21013e-07% change) linmin: converged after 18 iterations. iteration 1766: trace = 2.393039575236267 (5.59249e-08% change) linmin: converged after 24 iterations. iteration 1767: trace = 2.39303957429082 (3.95082e-08% change) linmin: converged after 15 iterations. iteration 1768: trace = 2.393039572447418 (7.70318e-08% change) linmin: converged after 4 iterations. iteration 1769: trace = 2.393039571723361 (3.02568e-08% change) linmin: converged after 13 iterations. iteration 1770: trace = 2.393039570725867 (4.16831e-08% change) linmin: converged after 4 iterations. iteration 1771: trace = 2.393039570156724 (2.37833e-08% change) linmin: converged after 4 iterations. iteration 1772: trace = 2.393039569973194 (7.66929e-09% change) large trace change predicted (1.97065e-08%) linmin: converged after 4 iterations. iteration 1773: trace = 2.393039569501248 (1.97216e-08% change) linmin: converged after 6 iterations. iteration 1774: trace = 2.393039568825229 (2.82494e-08% change) linmin: converged after 4 iterations. iteration 1775: trace = 2.39303956850532 (1.33683e-08% change) large trace change predicted (7.00244e-08%) linmin: converged after 3 iterations. iteration 1776: trace = 2.393039566829835 (7.0015e-08% change) linmin: converged after 8 iterations. iteration 1777: trace = 2.393039564616725 (9.24811e-08% change) linmin: converged after 4 iterations. iteration 1778: trace = 2.393039562203077 (1.00861e-07% change) linmin: converged after 4 iterations. iteration 1779: trace = 2.393039558363005 (1.60468e-07% change) linmin: converged after 4 iterations. iteration 1780: trace = 2.3930395566286 (7.24771e-08% change) linmin: converged after 4 iterations. iteration 1781: trace = 2.393039553776727 (1.19174e-07% change) linmin: converged after 5 iterations. iteration 1782: trace = 2.393039551186797 (1.08228e-07% change) linmin: converged after 4 iterations. iteration 1783: trace = 2.39303955064044 (2.28311e-08% change) large trace change predicted (8.77814e-08%) linmin: converged after 4 iterations. iteration 1784: trace = 2.393039548539862 (8.77787e-08% change) linmin: converged after 4 iterations. iteration 1785: trace = 2.393039547972618 (2.37039e-08% change) linmin: converged after 5 iterations. iteration 1786: trace = 2.393039546964365 (4.21328e-08% change) linmin: converged after 4 iterations. iteration 1787: trace = 2.393039545797441 (4.87633e-08% change) linmin: converged after 4 iterations. iteration 1788: trace = 2.393039545237163 (2.34128e-08% change) large trace change predicted (5.90909e-08%) linmin: converged after 5 iterations. iteration 1789: trace = 2.393039543822896 (5.90992e-08% change) linmin: converged after 12 iterations. iteration 1790: trace = 2.393039543032467 (3.30303e-08% change) linmin: converged after 4 iterations. iteration 1791: trace = 2.393039542577954 (1.89931e-08% change) linmin: converged after 8 iterations. iteration 1792: trace = 2.393039541763135 (3.40496e-08% change) linmin: converged after 6 iterations. iteration 1793: trace = 2.393039541043551 (3.00699e-08% change) linmin: converged after 4 iterations. iteration 1794: trace = 2.393039539963685 (4.51253e-08% change) large trace change predicted (1.10838e-07%) linmin: converged after 15 iterations. iteration 1795: trace = 2.393039537311493 (1.10829e-07% change) linmin: converged after 4 iterations. iteration 1796: trace = 2.393039536333442 (4.08707e-08% change) large trace change predicted (1.75768e-07%) linmin: converged after 5 iterations. iteration 1797: trace = 2.39303953212755 (1.75755e-07% change) linmin: converged after 9 iterations. iteration 1798: trace = 2.393039529326443 (1.17052e-07% change) linmin: converged after 4 iterations. iteration 1799: trace = 2.393039528185163 (4.76917e-08% change) linmin: converged after 4 iterations. iteration 1800: trace = 2.393039526870903 (5.49201e-08% change) linmin: converged after 4 iterations. iteration 1801: trace = 2.393039526155441 (2.98976e-08% change) linmin: converged after 3 iterations. iteration 1802: trace = 2.39303952518417 (4.05874e-08% change) linmin: converged after 5 iterations. iteration 1803: trace = 2.393039524266048 (3.83664e-08% change) linmin: converged after 5 iterations. iteration 1804: trace = 2.39303952384891 (1.74313e-08% change) linmin: converged after 4 iterations. iteration 1805: trace = 2.393039523062919 (3.28449e-08% change) linmin: converged after 4 iterations. iteration 1806: trace = 2.393039522721636 (1.42615e-08% change) linmin: converged after 3 iterations. iteration 1807: trace = 2.393039522211775 (2.1306e-08% change) linmin: converged after 6 iterations. iteration 1808: trace = 2.393039521398135 (3.40003e-08% change) linmin: converged after 6 iterations. iteration 1809: trace = 2.393039521165752 (9.71081e-09% change) large trace change predicted (3.80548e-08%) linmin: converged after 3 iterations. iteration 1810: trace = 2.3930395202551 (3.80542e-08% change) linmin: converged after 15 iterations. iteration 1811: trace = 2.393039519938909 (1.32129e-08% change) large trace change predicted (3.44102e-08%) linmin: converged after 13 iterations. iteration 1812: trace = 2.393039519115651 (3.44022e-08% change) linmin: converged after 3 iterations. iteration 1813: trace = 2.393039518426034 (2.88176e-08% change) linmin: converged after 15 iterations. iteration 1814: trace = 2.393039518035018 (1.63397e-08% change) large trace change predicted (1.68317e-07%) linmin: converged after 4 iterations. iteration 1815: trace = 2.393039514007436 (1.68304e-07% change) linmin: converged after 5 iterations. iteration 1816: trace = 2.393039512300944 (7.13106e-08% change) large trace change predicted (4.1775e-07%) linmin: converged after 4 iterations. iteration 1817: trace = 2.393039502304406 (4.17734e-07% change) linmin: converged after 4 iterations. iteration 1818: trace = 2.393039495015239 (3.04599e-07% change) linmin: converged after 9 iterations. iteration 1819: trace = 2.393039488570439 (2.69314e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1820: trace = 2.393039484081988 (1.87563e-07% change) linmin: converged after 22 iterations. iteration 1821: trace = 2.393039479568118 (1.88625e-07% change) linmin: converged after 5 iterations. iteration 1822: trace = 2.39303947350885 (2.53204e-07% change) linmin: converged after 4 iterations. iteration 1823: trace = 2.393039472501099 (4.21117e-08% change) large trace change predicted (1.00227e-07%) linmin: converged after 5 iterations. iteration 1824: trace = 2.393039470102659 (1.00226e-07% change) linmin: converged after 5 iterations. iteration 1825: trace = 2.393039469587826 (2.15138e-08% change) linmin: converged after 7 iterations. iteration 1826: trace = 2.393039469284597 (1.26713e-08% change) linmin: converged after 9 iterations. iteration 1827: trace = 2.393039468989501 (1.23314e-08% change) linmin: converged after 3 iterations. iteration 1828: trace = 2.393039468762381 (9.49086e-09% change) linmin: converged after 4 iterations. iteration 1829: trace = 2.393039468582002 (7.53763e-09% change) large trace change predicted (1.64284e-08%) linmin: converged after 4 iterations. iteration 1830: trace = 2.393039468188831 (1.64298e-08% change) linmin: converged after 3 iterations. iteration 1831: trace = 2.393039468077939 (4.63395e-09% change) large trace change predicted (1.58455e-08%) linmin: converged after 9 iterations. iteration 1832: trace = 2.393039467698462 (1.58575e-08% change) linmin: converged after 3 iterations. iteration 1833: trace = 2.393039467482168 (9.03845e-09% change) linmin: converged after 18 iterations. iteration 1834: trace = 2.393039467374841 (4.48495e-09% change) large trace change predicted (1.43701e-08%) linmin: converged after 4 iterations. iteration 1835: trace = 2.393039467030893 (1.43729e-08% change) linmin: converged after 3 iterations. iteration 1836: trace = 2.393039466657457 (1.56051e-08% change) linmin: converged after 4 iterations. iteration 1837: trace = 2.393039466447072 (8.7915e-09% change) large trace change predicted (2.66367e-08%) linmin: converged after 3 iterations. iteration 1838: trace = 2.393039465809741 (2.66327e-08% change) linmin: converged after 5 iterations. iteration 1839: trace = 2.393039465355733 (1.8972e-08% change) linmin: converged after 15 iterations. iteration 1840: trace = 2.393039464852271 (2.10386e-08% change) linmin: converged after 4 iterations. iteration 1841: trace = 2.393039463876717 (4.07663e-08% change) linmin: converged after 4 iterations. iteration 1842: trace = 2.393039463386607 (2.04806e-08% change) linmin: converged after 3 iterations. iteration 1843: trace = 2.39303946247426 (3.8125e-08% change) linmin: converged after 3 iterations. iteration 1844: trace = 2.393039461892562 (2.43079e-08% change) linmin: converged after 4 iterations. iteration 1845: trace = 2.39303946153948 (1.47545e-08% change) linmin: converged after 3 iterations. iteration 1846: trace = 2.393039461269766 (1.12708e-08% change) linmin: converged after 9 iterations. iteration 1847: trace = 2.393039461177974 (3.83582e-09% change) linmin: converged after 3 iterations. iteration 1848: trace = 2.393039461018711 (6.65523e-09% change) linmin: converged after 5 iterations. iteration 1849: trace = 2.3930394607626 (1.07023e-08% change) linmin: converged after 5 iterations. iteration 1850: trace = 2.393039460614487 (6.18931e-09% change) large trace change predicted (1.47165e-08%) linmin: converged after 12 iterations. iteration 1851: trace = 2.393039460262448 (1.4711e-08% change) linmin: converged after 4 iterations. iteration 1852: trace = 2.393039460137845 (5.20689e-09% change) large trace change predicted (1.17363e-08%) linmin: converged after 5 iterations. iteration 1853: trace = 2.393039459856961 (1.17375e-08% change) linmin: converged after 12 iterations. iteration 1854: trace = 2.393039459634852 (9.28148e-09% change) linmin: converged after 4 iterations. iteration 1855: trace = 2.393039459337167 (1.24396e-08% change) linmin: converged after 15 iterations. iteration 1856: trace = 2.393039458920251 (1.7422e-08% change) linmin: converged after 5 iterations. iteration 1857: trace = 2.393039458671261 (1.04048e-08% change) large trace change predicted (3.21123e-08%) linmin: converged after 3 iterations. iteration 1858: trace = 2.393039457902927 (3.2107e-08% change) linmin: converged after 5 iterations. iteration 1859: trace = 2.393039457625665 (1.15862e-08% change) large trace change predicted (3.00343e-08%) linmin: converged after 3 iterations. iteration 1860: trace = 2.393039456907079 (3.00282e-08% change) linmin: converged after 4 iterations. iteration 1861: trace = 2.393039456614725 (1.22168e-08% change) linmin: converged after 4 iterations. iteration 1862: trace = 2.393039456209651 (1.69272e-08% change) linmin: converged after 4 iterations. iteration 1863: trace = 2.393039455745036 (1.94152e-08% change) linmin: converged after 3 iterations. iteration 1864: trace = 2.393039455610807 (5.60915e-09% change) large trace change predicted (1.26266e-08%) linmin: converged after 4 iterations. iteration 1865: trace = 2.393039455308747 (1.26225e-08% change) linmin: converged after 4 iterations. iteration 1866: trace = 2.393039455241222 (2.82171e-09% change) large trace change predicted (6.66801e-09%) linmin: converged after 12 iterations. iteration 1867: trace = 2.393039455081451 (6.6765e-09% change) linmin: converged after 3 iterations. iteration 1868: trace = 2.393039455035793 (1.90796e-09% change) linmin: converged after 6 iterations. iteration 1869: trace = 2.393039454965693 (2.92931e-09% change) linmin: converged after 9 iterations. iteration 1870: trace = 2.39303945485351 (4.68789e-09% change) linmin: converged after 16 iterations. iteration 1871: trace = 2.393039454815288 (1.59723e-09% change) large trace change predicted (8.30957e-09%) linmin: converged after 4 iterations. iteration 1872: trace = 2.39303945461575 (8.33824e-09% change) linmin: converged after 4 iterations. iteration 1873: trace = 2.393039454542886 (3.04485e-09% change) large trace change predicted (1.46625e-08%) linmin: converged after 5 iterations. iteration 1874: trace = 2.393039454191828 (1.467e-08% change) linmin: converged after 4 iterations. iteration 1875: trace = 2.393039453902738 (1.20805e-08% change) linmin: converged after 8 iterations. iteration 1876: trace = 2.393039453663679 (9.98976e-09% change) large trace change predicted (2.14744e-08%) linmin: converged after 4 iterations. iteration 1877: trace = 2.393039453149391 (2.1491e-08% change) linmin: converged after 3 iterations. iteration 1878: trace = 2.393039453036628 (4.71215e-09% change) large trace change predicted (1.02485e-08%) linmin: converged after 6 iterations. iteration 1879: trace = 2.393039452791139 (1.02585e-08% change) linmin: converged after 3 iterations. iteration 1880: trace = 2.393039452714517 (3.20186e-09% change) linmin: converged after 9 iterations. iteration 1881: trace = 2.393039452573159 (5.90703e-09% change) linmin: converged after 9 iterations. iteration 1882: trace = 2.393039452507627 (2.73844e-09% change) linmin: converged after 4 iterations. iteration 1883: trace = 2.393039452386425 (5.06478e-09% change) linmin: converged after 3 iterations. iteration 1884: trace = 2.393039452227881 (6.62523e-09% change) linmin: converged after 15 iterations. iteration 1885: trace = 2.393039452127997 (4.17392e-09% change) linmin: converged after 12 iterations. iteration 1886: trace = 2.393039451946437 (7.58701e-09% change) linmin: converged after 6 iterations. iteration 1887: trace = 2.393039451900567 (1.91681e-09% change) large trace change predicted (4.3894e-09%) linmin: converged after 6 iterations. iteration 1888: trace = 2.393039451795502 (4.39044e-09% change) linmin: converged after 5 iterations. iteration 1889: trace = 2.393039451755762 (1.66064e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1890: trace = 2.393039451734298 (8.9696e-10% change) large trace change predicted (1.9434e-09%) linmin: converged after 4 iterations. iteration 1891: trace = 2.3930394516882 (1.92635e-09% change) linmin: converged after 6 iterations. iteration 1892: trace = 2.393039451626216 (2.59015e-09% change) linmin: converged after 6 iterations. iteration 1893: trace = 2.393039451575114 (2.13545e-09% change) large trace change predicted (6.37908e-09%) linmin: converged after 6 iterations. iteration 1894: trace = 2.393039451422565 (6.37468e-09% change) linmin: converged after 3 iterations. iteration 1895: trace = 2.393039451352757 (2.91715e-09% change) large trace change predicted (7.30897e-09%) linmin: converged after 4 iterations. iteration 1896: trace = 2.39303945117764 (7.31778e-09% change) linmin: converged after 4 iterations. iteration 1897: trace = 2.393039451014691 (6.80928e-09% change) linmin: converged after 5 iterations. iteration 1898: trace = 2.393039450928482 (3.60248e-09% change) linmin: converged after 3 iterations. iteration 1899: trace = 2.393039450766429 (6.77187e-09% change) linmin: converged after 10 iterations. iteration 1900: trace = 2.393039450619521 (6.13894e-09% change) linmin: converged after 9 iterations. iteration 1901: trace = 2.393039450481397 (5.77193e-09% change) large trace change predicted (1.37452e-08%) linmin: converged after 6 iterations. iteration 1902: trace = 2.39303945015247 (1.37451e-08% change) linmin: converged after 13 iterations. iteration 1903: trace = 2.393039450075025 (3.23627e-09% change) large trace change predicted (1.02231e-08%) linmin: converged after 5 iterations. iteration 1904: trace = 2.393039449830154 (1.02326e-08% change) linmin: converged after 4 iterations. iteration 1905: trace = 2.393039449594766 (9.83635e-09% change) linmin: converged after 5 iterations. iteration 1906: trace = 2.39303944946226 (5.53716e-09% change) linmin: converged after 3 iterations. iteration 1907: trace = 2.393039449276768 (7.75132e-09% change) linmin: converged after 4 iterations. iteration 1908: trace = 2.393039449097325 (7.49851e-09% change) linmin: converged after 4 iterations. iteration 1909: trace = 2.393039449014233 (3.47225e-09% change) linmin: converged after 3 iterations. iteration 1910: trace = 2.39303944891337 (4.21488e-09% change) linmin: converged after 4 iterations. iteration 1911: trace = 2.393039448891721 (9.04643e-10% change) large trace change predicted (2.88798e-09%) linmin: converged after 3 iterations. iteration 1912: trace = 2.393039448822574 (2.8895e-09% change) linmin: converged after 4 iterations. iteration 1913: trace = 2.393039448767053 (2.32012e-09% change) linmin: converged after 5 iterations. iteration 1914: trace = 2.393039448712644 (2.27363e-09% change) large trace change predicted (9.76691e-09%) linmin: converged after 4 iterations. iteration 1915: trace = 2.393039448479089 (9.75976e-09% change) linmin: converged after 4 iterations. iteration 1916: trace = 2.393039448401244 (3.25299e-09% change) large trace change predicted (1.54244e-08%) linmin: converged after 4 iterations. iteration 1917: trace = 2.393039448032157 (1.54233e-08% change) linmin: converged after 4 iterations. iteration 1918: trace = 2.393039447852846 (7.49301e-09% change) large trace change predicted (2.05023e-08%) linmin: converged after 5 iterations. iteration 1919: trace = 2.39303944736242 (2.04939e-08% change) linmin: converged after 4 iterations. iteration 1920: trace = 2.393039447052423 (1.29541e-08% change) linmin: converged after 3 iterations. iteration 1921: trace = 2.393039446896045 (6.5347e-09% change) linmin: converged after 14 iterations. iteration 1922: trace = 2.393039446616436 (1.16843e-08% change) linmin: converged after 6 iterations. iteration 1923: trace = 2.393039446530206 (3.60337e-09% change) large trace change predicted (1.233e-08%) linmin: converged after 4 iterations. iteration 1924: trace = 2.393039446235395 (1.23195e-08% change) linmin: converged after 4 iterations. iteration 1925: trace = 2.393039446120371 (4.80661e-09% change) large trace change predicted (9.74189e-09%) linmin: converged after 4 iterations. iteration 1926: trace = 2.39303944588754 (9.72951e-09% change) linmin: converged after 3 iterations. iteration 1927: trace = 2.393039445710361 (7.40394e-09% change) linmin: converged after 5 iterations. iteration 1928: trace = 2.393039445643736 (2.78411e-09% change) linmin: converged after 5 iterations. iteration 1929: trace = 2.393039445510909 (5.55054e-09% change) linmin: converged after 5 iterations. iteration 1930: trace = 2.393039445448921 (2.59037e-09% change) linmin: converged after 3 iterations. iteration 1931: trace = 2.393039445383455 (2.73568e-09% change) linmin: converged after 7 iterations. iteration 1932: trace = 2.393039445265108 (4.94545e-09% change) linmin: converged after 4 iterations. iteration 1933: trace = 2.393039445204703 (2.5242e-09% change) large trace change predicted (6.85489e-09%) linmin: converged after 4 iterations. iteration 1934: trace = 2.393039445040955 (6.84268e-09% change) linmin: converged after 9 iterations. iteration 1935: trace = 2.393039444780994 (1.08632e-08% change) linmin: converged after 15 iterations. iteration 1936: trace = 2.393039444628465 (6.37388e-09% change) large trace change predicted (2.51985e-08%) linmin: converged after 9 iterations. iteration 1937: trace = 2.39303944402551 (2.51962e-08% change) linmin: converged after 3 iterations. iteration 1938: trace = 2.393039443912818 (4.70914e-09% change) large trace change predicted (1.27572e-08%) linmin: converged after 3 iterations. iteration 1939: trace = 2.393039443607804 (1.27459e-08% change) linmin: converged after 9 iterations. iteration 1940: trace = 2.393039443377261 (9.63387e-09% change) linmin: converged after 4 iterations. iteration 1941: trace = 2.393039443293673 (3.49299e-09% change) large trace change predicted (9.05967e-09%) linmin: converged after 4 iterations. iteration 1942: trace = 2.39303944307701 (9.05387e-09% change) linmin: converged after 12 iterations. iteration 1943: trace = 2.393039443036209 (1.70499e-09% change) large trace change predicted (3.51877e-09%) linmin: converged after 6 iterations. iteration 1944: trace = 2.393039442951618 (3.53486e-09% change) linmin: converged after 4 iterations. iteration 1945: trace = 2.39303944288621 (2.73327e-09% change) linmin: converged after 3 iterations. iteration 1946: trace = 2.393039442848446 (1.57808e-09% change) large trace change predicted (4.29332e-09%) linmin: converged after 4 iterations. iteration 1947: trace = 2.393039442745376 (4.30707e-09% change) linmin: converged after 12 iterations. iteration 1948: trace = 2.393039442693334 (2.17472e-09% change) linmin: converged after 3 iterations. iteration 1949: trace = 2.393039442620927 (3.02573e-09% change) linmin: converged after 9 iterations. iteration 1950: trace = 2.393039442476341 (6.04194e-09% change) linmin: converged after 9 iterations. iteration 1951: trace = 2.393039442436673 (1.65763e-09% change) large trace change predicted (4.87469e-09%) linmin: converged after 4 iterations. iteration 1952: trace = 2.393039442320204 (4.86701e-09% change) linmin: converged after 4 iterations. iteration 1953: trace = 2.393039442258929 (2.56055e-09% change) large trace change predicted (6.13875e-09%) linmin: converged after 3 iterations. iteration 1954: trace = 2.393039442112094 (6.1359e-09% change) linmin: converged after 4 iterations. iteration 1955: trace = 2.393039441868849 (1.01647e-08% change) linmin: converged after 12 iterations. iteration 1956: trace = 2.393039441709076 (6.67659e-09% change) large trace change predicted (3.27133e-08%) linmin: converged after 3 iterations. iteration 1957: trace = 2.393039440926726 (3.26927e-08% change) linmin: converged after 18 iterations. iteration 1958: trace = 2.393039440677581 (1.04112e-08% change) large trace change predicted (7.17879e-08%) linmin: converged after 5 iterations. iteration 1959: trace = 2.39303943895953 (7.17937e-08% change) resetting CG direction... linmin: converged after 14 iterations. iteration 1960: trace = 2.393039438323334 (2.65853e-08% change) linmin: converged after 4 iterations. iteration 1961: trace = 2.393039437789052 (2.23265e-08% change) linmin: converged after 3 iterations. iteration 1962: trace = 2.39303943725397 (2.23599e-08% change) linmin: converged after 7 iterations. iteration 1963: trace = 2.393039437131799 (5.10527e-09% change) large trace change predicted (1.04084e-08%) linmin: converged after 3 iterations. iteration 1964: trace = 2.39303943688254 (1.0416e-08% change) linmin: converged after 3 iterations. iteration 1965: trace = 2.393039436760738 (5.08987e-09% change) linmin: converged after 6 iterations. iteration 1966: trace = 2.393039436709493 (2.14139e-09% change) linmin: converged after 4 iterations. iteration 1967: trace = 2.393039436637749 (2.99803e-09% change) linmin: converged after 5 iterations. iteration 1968: trace = 2.393039436599232 (1.60955e-09% change) linmin: converged after 4 iterations. iteration 1969: trace = 2.393039436576352 (9.56103e-10% change) large trace change predicted (2.35154e-09%) linmin: converged after 4 iterations. iteration 1970: trace = 2.393039436520354 (2.34003e-09% change) linmin: converged after 3 iterations. iteration 1971: trace = 2.393039436492496 (1.16413e-09% change) linmin: converged after 3 iterations. iteration 1972: trace = 2.393039436457791 (1.45027e-09% change) linmin: converged after 4 iterations. iteration 1973: trace = 2.393039436417563 (1.68102e-09% change) linmin: converged after 4 iterations. iteration 1974: trace = 2.393039436403412 (5.91373e-10% change) large trace change predicted (1.25697e-09%) linmin: converged after 3 iterations. iteration 1975: trace = 2.393039436373034 (1.26941e-09% change) linmin: converged after 3 iterations. iteration 1976: trace = 2.393039436328327 (1.86821e-09% change) linmin: converged after 3 iterations. iteration 1977: trace = 2.393039436305597 (9.4983e-10% change) large trace change predicted (3.66733e-09%) linmin: converged after 4 iterations. iteration 1978: trace = 2.393039436217674 (3.67413e-09% change) linmin: converged after 3 iterations. iteration 1979: trace = 2.393039436189774 (1.16586e-09% change) large trace change predicted (5.08872e-09%) linmin: converged after 4 iterations. iteration 1980: trace = 2.393039436067618 (5.10464e-09% change) linmin: converged after 9 iterations. iteration 1981: trace = 2.393039435981243 (3.60946e-09% change) linmin: converged after 13 iterations. iteration 1982: trace = 2.393039435894592 (3.62095e-09% change) large trace change predicted (7.30211e-09%) linmin: converged after 3 iterations. iteration 1983: trace = 2.393039435719951 (7.29788e-09% change) linmin: converged after 4 iterations. iteration 1984: trace = 2.393039435671572 (2.02166e-09% change) linmin: converged after 8 iterations. iteration 1985: trace = 2.393039435594718 (3.21153e-09% change) linmin: converged after 4 iterations. iteration 1986: trace = 2.393039435549982 (1.86945e-09% change) linmin: converged after 3 iterations. iteration 1987: trace = 2.393039435537185 (5.34754e-10% change) large trace change predicted (1.21466e-09%) linmin: converged after 4 iterations. iteration 1988: trace = 2.393039435508208 (1.2109e-09% change) linmin: converged after 4 iterations. iteration 1989: trace = 2.393039435492325 (6.63692e-10% change) linmin: converged after 5 iterations. iteration 1990: trace = 2.393039435475317 (7.10754e-10% change) large trace change predicted (2.0028e-09%) linmin: converged after 4 iterations. iteration 1991: trace = 2.393039435427377 (2.0033e-09% change) linmin: converged after 6 iterations. iteration 1992: trace = 2.393039435409912 (7.29831e-10% change) large trace change predicted (2.97063e-09%) linmin: converged after 4 iterations. iteration 1993: trace = 2.393039435338368 (2.98964e-09% change) linmin: converged after 4 iterations. iteration 1994: trace = 2.393039435310971 (1.14489e-09% change) linmin: converged after 4 iterations. iteration 1995: trace = 2.393039435265988 (1.87975e-09% change) linmin: converged after 3 iterations. iteration 1996: trace = 2.393039435217393 (2.03066e-09% change) linmin: converged after 4 iterations. iteration 1997: trace = 2.39303943519499 (9.36191e-10% change) large trace change predicted (3.3027e-09%) linmin: converged after 6 iterations. iteration 1998: trace = 2.393039435115994 (3.30105e-09% change) linmin: converged after 7 iterations. iteration 1999: trace = 2.393039435074365 (1.7396e-09% change) large trace change predicted (6.16853e-09%) linmin: converged after 6 iterations. iteration 2000: trace = 2.393039434926903 (6.16212e-09% change) linmin: converged after 4 iterations. iteration 2001: trace = 2.393039434880057 (1.9576e-09% change) linmin: converged after 4 iterations. iteration 2002: trace = 2.393039434814421 (2.74279e-09% change) linmin: converged after 4 iterations. iteration 2003: trace = 2.393039434763783 (2.11604e-09% change) linmin: converged after 4 iterations. iteration 2004: trace = 2.393039434744991 (7.85299e-10% change) large trace change predicted (1.63782e-09%) linmin: converged after 3 iterations. iteration 2005: trace = 2.393039434705584 (1.64672e-09% change) linmin: converged after 4 iterations. iteration 2006: trace = 2.393039434699242 (2.65002e-10% change) large trace change predicted (8.61629e-10%) linmin: converged after 3 iterations. iteration 2007: trace = 2.393039434679038 (8.44294e-10% change) linmin: converged after 4 iterations. iteration 2008: trace = 2.393039434675229 (1.59168e-10% change) large trace change predicted (5.14992e-10%) linmin: converged after 3 iterations. iteration 2009: trace = 2.393039434662688 (5.24046e-10% change) linmin: converged after 4 iterations. iteration 2010: trace = 2.393039434647076 (6.52427e-10% change) linmin: converged after 3 iterations. iteration 2011: trace = 2.393039434637269 (4.09788e-10% change) large trace change predicted (1.36503e-09%) linmin: converged after 3 iterations. iteration 2012: trace = 2.393039434604628 (1.364e-09% change) linmin: converged after 5 iterations. iteration 2013: trace = 2.393039434595156 (3.95814e-10% change) large trace change predicted (1.88283e-09%) linmin: converged after 3 iterations. iteration 2014: trace = 2.393039434550104 (1.88263e-09% change) linmin: converged after 5 iterations. iteration 2015: trace = 2.393039434523842 (1.09746e-09% change) linmin: converged after 6 iterations. iteration 2016: trace = 2.393039434486109 (1.57676e-09% change) linmin: converged after 3 iterations. iteration 2017: trace = 2.3930394344467 (1.64681e-09% change) linmin: converged after 9 iterations. iteration 2018: trace = 2.393039434423467 (9.70875e-10% change) linmin: converged after 4 iterations. iteration 2019: trace = 2.393039434378958 (1.85991e-09% change) linmin: converged after 5 iterations. iteration 2020: trace = 2.393039434370328 (3.60647e-10% change) large trace change predicted (1.14174e-09%) linmin: converged after 3 iterations. iteration 2021: trace = 2.393039434343038 (1.1404e-09% change) linmin: converged after 5 iterations. iteration 2022: trace = 2.393039434333263 (4.08451e-10% change) large trace change predicted (1.11508e-09%) linmin: converged after 4 iterations. iteration 2023: trace = 2.393039434306579 (1.1151e-09% change) linmin: converged after 3 iterations. iteration 2024: trace = 2.393039434291962 (6.10803e-10% change) linmin: converged after 3 iterations. iteration 2025: trace = 2.393039434276927 (6.28284e-10% change) linmin: converged after 4 iterations. iteration 2026: trace = 2.393039434252486 (1.02133e-09% change) linmin: converged after 3 iterations. iteration 2027: trace = 2.393039434245335 (2.98813e-10% change) large trace change predicted (6.67383e-10%) linmin: converged after 5 iterations. iteration 2028: trace = 2.393039434230231 (6.3116e-10% change) linmin: converged after 3 iterations. iteration 2029: trace = 2.393039434227043 (1.33225e-10% change) resetting CG direction... linmin: converged after 7 iterations. iteration 2030: trace = 2.393039434225272 (7.40075e-11% change) Finished solving for bands 2 to 10 after 2030 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 elapsed time for k point: 29.249699115753174 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.472606412328673 (8.48024% change) linmin: converged after 6 iterations. iteration 2: trace = 2.453425735718083 (0.778748% change) linmin: converged after 6 iterations. iteration 3: trace = 2.442844414785593 (0.43222% change) linmin: converged after 7 iterations. iteration 4: trace = 2.431161847827217 (0.479383% change) linmin: converged after 7 iterations. iteration 5: trace = 2.426060280234586 (0.210061% change) linmin: converged after 5 iterations. iteration 6: trace = 2.423173498768208 (0.119061% change) linmin: converged after 11 iterations. iteration 7: trace = 2.421004983712137 (0.0895308% change) linmin: converged after 4 iterations. iteration 8: trace = 2.419230595188513 (0.0733183% change) linmin: converged after 6 iterations. iteration 9: trace = 2.418879976299798 (0.014494% change) linmin: converged after 4 iterations. iteration 10: trace = 2.418217818337571 (0.0273783% change) linmin: converged after 4 iterations. iteration 11: trace = 2.417916624344721 (0.012456% change) linmin: converged after 4 iterations. iteration 12: trace = 2.417553425304854 (0.0150223% change) linmin: converged after 4 iterations. iteration 13: trace = 2.417324401496046 (0.00947382% change) linmin: converged after 3 iterations. iteration 14: trace = 2.417053485842457 (0.0112079% change) linmin: converged after 4 iterations. iteration 15: trace = 2.416983346628101 (0.00290189% change) large trace change predicted (0.00610734%) linmin: converged after 3 iterations. iteration 16: trace = 2.416834145661213 (0.00617321% change) linmin: converged after 4 iterations. iteration 17: trace = 2.416789900407536 (0.00183073% change) large trace change predicted (0.00505463%) linmin: converged after 3 iterations. iteration 18: trace = 2.416666953862918 (0.00508731% change) linmin: converged after 4 iterations. iteration 19: trace = 2.416616686541779 (0.00208005% change) linmin: converged after 3 iterations. iteration 20: trace = 2.416550546368013 (0.00273693% change) linmin: converged after 4 iterations. iteration 21: trace = 2.416470730039696 (0.00330296% change) linmin: converged after 3 iterations. iteration 22: trace = 2.4163914643744 (0.00328028% change) linmin: converged after 4 iterations. iteration 23: trace = 2.416340839231842 (0.00209509% change) linmin: converged after 3 iterations. iteration 24: trace = 2.416269506309811 (0.00295215% change) linmin: converged after 6 iterations. iteration 25: trace = 2.416222969393447 (0.001926% change) linmin: converged after 3 iterations. iteration 26: trace = 2.416194250937182 (0.00118858% change) large trace change predicted (0.0053049%) linmin: converged after 4 iterations. iteration 27: trace = 2.416065964814718 (0.00530957% change) linmin: converged after 3 iterations. iteration 28: trace = 2.416019766014298 (0.00191217% change) large trace change predicted (0.00450154%) linmin: converged after 4 iterations. iteration 29: trace = 2.415911184348753 (0.00449434% change) linmin: converged after 3 iterations. iteration 30: trace = 2.415826339470812 (0.00351198% change) linmin: converged after 3 iterations. iteration 31: trace = 2.41570604851085 (0.00497941% change) linmin: converged after 3 iterations. iteration 32: trace = 2.415628012647992 (0.00323041% change) large trace change predicted (0.0107003%) linmin: converged after 4 iterations. iteration 33: trace = 2.41537053690965 (0.0106593% change) linmin: converged after 3 iterations. iteration 34: trace = 2.415301753630072 (0.00284777% change) large trace change predicted (0.00887828%) linmin: converged after 4 iterations. iteration 35: trace = 2.415087793103613 (0.00885893% change) linmin: converged after 3 iterations. iteration 36: trace = 2.414996316466689 (0.00378779% change) linmin: converged after 3 iterations. iteration 37: trace = 2.414847805921248 (0.0061497% change) linmin: converged after 4 iterations. iteration 38: trace = 2.414719199013656 (0.00532582% change) linmin: converged after 4 iterations. iteration 39: trace = 2.414561302620633 (0.00653913% change) linmin: converged after 5 iterations. iteration 40: trace = 2.41448413781134 (0.00319586% change) linmin: converged after 4 iterations. iteration 41: trace = 2.414383115285119 (0.00418411% change) linmin: converged after 3 iterations. iteration 42: trace = 2.414348691663321 (0.00142578% change) linmin: converged after 4 iterations. iteration 43: trace = 2.414292775582494 (0.00231602% change) linmin: converged after 3 iterations. iteration 44: trace = 2.414262873465236 (0.00123855% change) linmin: converged after 4 iterations. iteration 45: trace = 2.414243309095757 (0.000810369% change) linmin: converged after 3 iterations. iteration 46: trace = 2.414222004518059 (0.000882458% change) linmin: converged after 4 iterations. iteration 47: trace = 2.41418937622007 (0.00135151% change) linmin: converged after 3 iterations. iteration 48: trace = 2.414175482017809 (0.000575524% change) large trace change predicted (0.00151722%) linmin: converged after 4 iterations. iteration 49: trace = 2.414139167146496 (0.00150425% change) linmin: converged after 3 iterations. iteration 50: trace = 2.414108647997533 (0.00126419% change) linmin: converged after 4 iterations. iteration 51: trace = 2.414084470600241 (0.00100151% change) linmin: converged after 3 iterations. iteration 52: trace = 2.414052008701353 (0.0013447% change) linmin: converged after 4 iterations. iteration 53: trace = 2.414006568578595 (0.00188234% change) linmin: converged after 3 iterations. iteration 54: trace = 2.413987583024687 (0.000786478% change) large trace change predicted (0.00171875%) linmin: converged after 4 iterations. iteration 55: trace = 2.41394637849652 (0.00170692% change) linmin: converged after 3 iterations. iteration 56: trace = 2.413918643338453 (0.00114896% change) linmin: converged after 6 iterations. iteration 57: trace = 2.413893202859717 (0.00105391% change) linmin: converged after 3 iterations. iteration 58: trace = 2.413859265637633 (0.00140592% change) linmin: converged after 4 iterations. iteration 59: trace = 2.413820630728176 (0.00160056% change) linmin: converged after 3 iterations. iteration 60: trace = 2.413793739214342 (0.00111407% change) linmin: converged after 4 iterations. iteration 61: trace = 2.413747575773504 (0.0019125% change) linmin: converged after 3 iterations. iteration 62: trace = 2.413717656691289 (0.00123954% change) linmin: converged after 4 iterations. iteration 63: trace = 2.413670794739782 (0.0019415% change) linmin: converged after 3 iterations. iteration 64: trace = 2.413608498811451 (0.002581% change) linmin: converged after 4 iterations. iteration 65: trace = 2.413550379958808 (0.00240799% change) linmin: converged after 4 iterations. iteration 66: trace = 2.413476905206978 (0.00304431% change) linmin: converged after 4 iterations. iteration 67: trace = 2.413393469715005 (0.00345713% change) linmin: converged after 3 iterations. iteration 68: trace = 2.413361590307507 (0.00132095% change) linmin: converged after 4 iterations. iteration 69: trace = 2.413309245029383 (0.002169% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.413292472384753 (0.000695008% change) linmin: converged after 3 iterations. iteration 71: trace = 2.413275763337027 (0.000692378% change) linmin: converged after 3 iterations. iteration 72: trace = 2.413247325367773 (0.0011784% change) linmin: converged after 5 iterations. iteration 73: trace = 2.41324098838247 (0.000262592% change) large trace change predicted (0.000686831%) linmin: converged after 3 iterations. iteration 74: trace = 2.413224390611433 (0.000687782% change) linmin: converged after 4 iterations. iteration 75: trace = 2.41321933697967 (0.000209414% change) linmin: converged after 3 iterations. iteration 76: trace = 2.413214508918284 (0.000200067% change) linmin: converged after 3 iterations. iteration 77: trace = 2.413206859948187 (0.000316962% change) linmin: converged after 3 iterations. iteration 78: trace = 2.413202709301081 (0.000171997% change) linmin: converged after 4 iterations. iteration 79: trace = 2.413195544942863 (0.000296882% change) large trace change predicted (0.000675767%) linmin: converged after 3 iterations. iteration 80: trace = 2.41317915913854 (0.000679011% change) linmin: converged after 3 iterations. iteration 81: trace = 2.413174521984215 (0.00019216% change) large trace change predicted (0.000670808%) linmin: converged after 3 iterations. iteration 82: trace = 2.413158321175334 (0.000671351% change) linmin: converged after 3 iterations. iteration 83: trace = 2.41313739852315 (0.000867027% change) linmin: converged after 6 iterations. iteration 84: trace = 2.413132084170826 (0.000220226% change) large trace change predicted (0.00137291%) linmin: converged after 4 iterations. iteration 85: trace = 2.413098630000145 (0.00138635% change) linmin: converged after 3 iterations. iteration 86: trace = 2.413088275807562 (0.000429084% change) linmin: converged after 3 iterations. iteration 87: trace = 2.413070019022158 (0.000756576% change) linmin: converged after 4 iterations. iteration 88: trace = 2.413059140351948 (0.000450824% change) linmin: converged after 3 iterations. iteration 89: trace = 2.413054828335151 (0.000178695% change) large trace change predicted (0.00037838%) linmin: converged after 3 iterations. iteration 90: trace = 2.413045686743834 (0.00037884% change) linmin: converged after 3 iterations. iteration 91: trace = 2.413029389278951 (0.000675392% change) linmin: converged after 4 iterations. iteration 92: trace = 2.413026337297859 (0.000126479% change) large trace change predicted (0.000680895%) linmin: converged after 4 iterations. iteration 93: trace = 2.413009863321784 (0.000682712% change) linmin: converged after 4 iterations. iteration 94: trace = 2.413004958688768 (0.000203258% change) linmin: converged after 3 iterations. iteration 95: trace = 2.413001010574182 (0.000163618% change) large trace change predicted (0.000575145%) linmin: converged after 3 iterations. iteration 96: trace = 2.41298711078796 (0.000576039% change) linmin: converged after 4 iterations. iteration 97: trace = 2.412981993123678 (0.000212089% change) linmin: converged after 26 iterations. iteration 98: trace = 2.412974960504182 (0.00029145% change) linmin: converged after 3 iterations. iteration 99: trace = 2.412971660124212 (0.000136776% change) linmin: converged after 5 iterations. iteration 100: trace = 2.412969726949497 (8.0116e-05% change) large trace change predicted (0.000185959%) linmin: converged after 4 iterations. iteration 101: trace = 2.412965239514389 (0.000185972% change) linmin: converged after 4 iterations. iteration 102: trace = 2.41295785452651 (0.000306055% change) linmin: converged after 3 iterations. iteration 103: trace = 2.412955647658458 (9.14591e-05% change) large trace change predicted (0.000451444%) linmin: converged after 4 iterations. iteration 104: trace = 2.412944804472996 (0.000449375% change) linmin: converged after 3 iterations. iteration 105: trace = 2.412939591976892 (0.000216022% change) large trace change predicted (0.000436704%) linmin: converged after 6 iterations. iteration 106: trace = 2.412929087882519 (0.000435325% change) linmin: converged after 5 iterations. iteration 107: trace = 2.412912388879401 (0.000692066% change) linmin: converged after 4 iterations. iteration 108: trace = 2.412882739501967 (0.00122879% change) linmin: converged after 4 iterations. iteration 109: trace = 2.412866277569273 (0.000682254% change) large trace change predicted (0.00140455%) linmin: converged after 4 iterations. iteration 110: trace = 2.412832877672352 (0.00138425% change) linmin: converged after 4 iterations. iteration 111: trace = 2.412826963363769 (0.000245119% change) linmin: converged after 6 iterations. iteration 112: trace = 2.412818882217 (0.000334925% change) linmin: converged after 4 iterations. iteration 113: trace = 2.412807741114174 (0.000461747% change) linmin: converged after 11 iterations. iteration 114: trace = 2.412803765774664 (0.00016476% change) linmin: converged after 7 iterations. iteration 115: trace = 2.412797334010174 (0.000266568% change) linmin: converged after 5 iterations. iteration 116: trace = 2.412796055157039 (5.30029e-05% change) large trace change predicted (0.000176584%) linmin: converged after 4 iterations. iteration 117: trace = 2.412791794264836 (0.000176596% change) linmin: converged after 20 iterations. iteration 118: trace = 2.412788959820339 (0.000117476% change) linmin: converged after 3 iterations. iteration 119: trace = 2.412787814829273 (4.74551e-05% change) large trace change predicted (0.000215307%) linmin: converged after 4 iterations. iteration 120: trace = 2.412782625139613 (0.000215091% change) linmin: converged after 8 iterations. iteration 121: trace = 2.412781615544021 (4.18436e-05% change) large trace change predicted (0.000159471%) linmin: converged after 8 iterations. iteration 122: trace = 2.412777772563147 (0.000159276% change) linmin: converged after 4 iterations. iteration 123: trace = 2.412776290475923 (6.14266e-05% change) linmin: converged after 4 iterations. iteration 124: trace = 2.412774825733703 (6.07078e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.412773093628529 (7.1789e-05% change) linmin: converged after 3 iterations. iteration 126: trace = 2.412772033403266 (4.39422e-05% change) large trace change predicted (0.000143911%) linmin: converged after 3 iterations. iteration 127: trace = 2.412768561234267 (0.000143908% change) linmin: converged after 3 iterations. iteration 128: trace = 2.412764332147253 (0.00017528% change) linmin: converged after 3 iterations. iteration 129: trace = 2.412762702402286 (6.75468e-05% change) large trace change predicted (0.000227105%) linmin: converged after 4 iterations. iteration 130: trace = 2.412757229053292 (0.00022685% change) linmin: converged after 3 iterations. iteration 131: trace = 2.412750308384217 (0.000286837% change) linmin: converged after 3 iterations. iteration 132: trace = 2.412744971597525 (0.000221191% change) large trace change predicted (0.000507211%) linmin: converged after 3 iterations. iteration 133: trace = 2.412732718407164 (0.000507854% change) linmin: converged after 7 iterations. iteration 134: trace = 2.412730962367456 (7.27822e-05% change) large trace change predicted (0.000324296%) linmin: converged after 3 iterations. iteration 135: trace = 2.412723129047391 (0.000324667% change) linmin: converged after 5 iterations. iteration 136: trace = 2.412721617793547 (6.26369e-05% change) linmin: converged after 3 iterations. iteration 137: trace = 2.412719162213405 (0.000101776% change) linmin: converged after 7 iterations. iteration 138: trace = 2.412714760983797 (0.000182418% change) linmin: converged after 4 iterations. iteration 139: trace = 2.412714244683772 (2.13991e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 2.412713795110151 (1.86335e-05% change) large trace change predicted (6.16566e-05%) linmin: converged after 3 iterations. iteration 141: trace = 2.412712306913474 (6.16815e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.412711752129087 (2.29942e-05% change) linmin: converged after 5 iterations. iteration 143: trace = 2.412711433445376 (1.32085e-05% change) large trace change predicted (3.65531e-05%) linmin: converged after 3 iterations. iteration 144: trace = 2.412710551332244 (3.65611e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.412710001332495 (2.27959e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.412709339104619 (2.74475e-05% change) linmin: converged after 7 iterations. iteration 147: trace = 2.412708015349657 (5.48659e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.412707735069079 (1.16168e-05% change) large trace change predicted (2.46166e-05%) linmin: converged after 5 iterations. iteration 149: trace = 2.412707141025387 (2.46215e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.41270611433174 (4.25536e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.41270579969158 (1.3041e-05% change) large trace change predicted (4.39304e-05%) linmin: converged after 4 iterations. iteration 152: trace = 2.412704738726644 (4.39741e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.41270404498078 (2.87539e-05% change) linmin: converged after 4 iterations. iteration 154: trace = 2.412703578379837 (1.93393e-05% change) large trace change predicted (3.8684e-05%) linmin: converged after 3 iterations. iteration 155: trace = 2.41270264429435 (3.87153e-05% change) linmin: converged after 4 iterations. iteration 156: trace = 2.41270138016885 (5.23946e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.412700869011127 (2.11861e-05% change) large trace change predicted (5.77342e-05%) linmin: converged after 4 iterations. iteration 158: trace = 2.412699474008117 (5.78192e-05% change) linmin: converged after 5 iterations. iteration 159: trace = 2.412698218657573 (5.2031e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 2.412697424328969 (3.29228e-05% change) linmin: converged after 3 iterations. iteration 161: trace = 2.412696294218674 (4.68401e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.412695413377431 (3.65086e-05% change) linmin: converged after 20 iterations. iteration 163: trace = 2.41269430997101 (4.57334e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.412693077402853 (5.10868e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.41269287994695 (8.18405e-06% change) linmin: converged after 3 iterations. iteration 166: trace = 2.412692605808744 (1.13623e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.412692078182679 (2.18688e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.412691978234893 (4.14258e-06% change) large trace change predicted (1.25531e-05%) linmin: converged after 4 iterations. iteration 169: trace = 2.412691675191595 (1.25604e-05% change) linmin: converged after 5 iterations. iteration 170: trace = 2.412691532278725 (5.92338e-06% change) linmin: converged after 5 iterations. iteration 171: trace = 2.412691333718024 (8.22984e-06% change) linmin: converged after 3 iterations. iteration 172: trace = 2.412691071224445 (1.08797e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.412690867505331 (8.44365e-06% change) large trace change predicted (1.92698e-05%) linmin: converged after 3 iterations. iteration 174: trace = 2.412690402508315 (1.9273e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.412689494445571 (3.76369e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.412689267131884 (9.42159e-06% change) large trace change predicted (2.9348e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.412688558739286 (2.93611e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.412688132027417 (1.76862e-05% change) linmin: converged after 4 iterations. iteration 179: trace = 2.412687768142828 (1.50821e-05% change) large trace change predicted (6.13005e-05%) linmin: converged after 5 iterations. iteration 180: trace = 2.412686288078712 (6.13451e-05% change) linmin: converged after 4 iterations. iteration 181: trace = 2.412685924160847 (1.50835e-05% change) large trace change predicted (4.49615e-05%) linmin: converged after 3 iterations. iteration 182: trace = 2.412684838840223 (4.49839e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.412683964333555 (3.62462e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.412683634762118 (1.366e-05% change) large trace change predicted (2.85959e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.412682944177038 (2.86231e-05% change) linmin: converged after 21 iterations. iteration 186: trace = 2.412682252171017 (2.8682e-05% change) linmin: converged after 5 iterations. iteration 187: trace = 2.412682009678486 (1.00507e-05% change) large trace change predicted (2.73274e-05%) linmin: converged after 4 iterations. iteration 188: trace = 2.412681350332888 (2.73283e-05% change) linmin: converged after 3 iterations. iteration 189: trace = 2.412681262096474 (3.65719e-06% change) linmin: converged after 3 iterations. iteration 190: trace = 2.412681134826438 (5.27505e-06% change) large trace change predicted (1.11392e-05%) linmin: converged after 5 iterations. iteration 191: trace = 2.412680866043328 (1.11404e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.4126808264136 (1.64256e-06% change) large trace change predicted (1.20563e-05%) linmin: converged after 7 iterations. iteration 193: trace = 2.41268053555182 (1.20555e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.412680402474456 (5.51575e-06% change) linmin: converged after 3 iterations. iteration 195: trace = 2.412680287998102 (4.74478e-06% change) large trace change predicted (1.8074e-05%) linmin: converged after 4 iterations. iteration 196: trace = 2.412679852029748 (1.80699e-05% change) linmin: converged after 3 iterations. iteration 197: trace = 2.412679516370597 (1.39123e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.412679155864843 (1.49421e-05% change) large trace change predicted (6.2203e-05%) linmin: converged after 4 iterations. iteration 199: trace = 2.412677654625708 (6.22229e-05% change) linmin: converged after 5 iterations. iteration 200: trace = 2.412677374183402 (1.16237e-05% change) large trace change predicted (5.1361e-05%) linmin: converged after 5 iterations. iteration 201: trace = 2.412676134604486 (5.13777e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.412675245015786 (3.68715e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.412674862142604 (1.58692e-05% change) large trace change predicted (5.06774e-05%) linmin: converged after 4 iterations. iteration 204: trace = 2.41267363934473 (5.06823e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.412673242942164 (1.643e-05% change) linmin: converged after 5 iterations. iteration 206: trace = 2.412672626171718 (2.55638e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.412672131228316 (2.05143e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.412671827786987 (1.2577e-05% change) large trace change predicted (3.40714e-05%) linmin: converged after 4 iterations. iteration 209: trace = 2.412671005801497 (3.40695e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.412670641830589 (1.50858e-05% change) linmin: converged after 5 iterations. iteration 211: trace = 2.412670529000208 (4.67658e-06% change) large trace change predicted (1.04561e-05%) linmin: converged after 4 iterations. iteration 212: trace = 2.412670276853772 (1.04509e-05% change) linmin: converged after 5 iterations. iteration 213: trace = 2.41267005892408 (9.03272e-06% change) linmin: converged after 4 iterations. iteration 214: trace = 2.412669942685584 (4.81784e-06% change) large trace change predicted (1.67786e-05%) linmin: converged after 3 iterations. iteration 215: trace = 2.412669537939716 (1.67759e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.41266945347015 (3.50108e-06% change) large trace change predicted (9.85233e-06%) linmin: converged after 4 iterations. iteration 217: trace = 2.412669215731066 (9.85378e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.412668921994908 (1.21747e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.41266883811821 (3.47651e-06% change) large trace change predicted (1.30474e-05%) linmin: converged after 4 iterations. iteration 220: trace = 2.412668523337981 (1.3047e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.412668223683091 (1.24201e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.412668113445152 (4.56913e-06% change) large trace change predicted (9.19443e-06%) linmin: converged after 3 iterations. iteration 223: trace = 2.412667891553012 (9.19696e-06% change) linmin: converged after 5 iterations. iteration 224: trace = 2.412667580826945 (1.28789e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.412667426254225 (6.40671e-06% change) large trace change predicted (1.78686e-05%) linmin: converged after 3 iterations. iteration 226: trace = 2.412666995135434 (1.7869e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.412666802715315 (7.97541e-06% change) linmin: converged after 3 iterations. iteration 228: trace = 2.412666435404577 (1.52243e-05% change) linmin: converged after 4 iterations. iteration 229: trace = 2.412666130700489 (1.26294e-05% change) linmin: converged after 4 iterations. iteration 230: trace = 2.412665877110246 (1.05108e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.412665382099508 (2.05172e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.412664783984475 (2.47906e-05% change) linmin: converged after 14 iterations. iteration 233: trace = 2.412664682683589 (4.19871e-06% change) linmin: converged after 3 iterations. iteration 234: trace = 2.412664481852494 (8.32404e-06% change) linmin: converged after 8 iterations. iteration 235: trace = 2.412664315383743 (6.89979e-06% change) linmin: converged after 2 iterations. iteration 236: trace = 2.412664250177639 (2.70266e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.412664169659182 (3.33733e-06% change) linmin: converged after 4 iterations. iteration 238: trace = 2.412664021244686 (6.15148e-06% change) linmin: converged after 3 iterations. iteration 239: trace = 2.412664001473559 (8.19473e-07% change) large trace change predicted (4.28054e-06%) linmin: converged after 28 iterations. iteration 240: trace = 2.412663898202072 (4.28039e-06% change) linmin: converged after 3 iterations. iteration 241: trace = 2.412663783452443 (4.75614e-06% change) linmin: converged after 3 iterations. iteration 242: trace = 2.412663731581536 (2.14994e-06% change) large trace change predicted (1.03009e-05%) linmin: converged after 5 iterations. iteration 243: trace = 2.412663483257846 (1.02925e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.412663197127385 (1.18595e-05% change) linmin: converged after 5 iterations. iteration 245: trace = 2.412662979195149 (9.03285e-06% change) linmin: converged after 5 iterations. iteration 246: trace = 2.412662720448691 (1.07245e-05% change) linmin: converged after 11 iterations. iteration 247: trace = 2.412662475665402 (1.01458e-05% change) linmin: converged after 5 iterations. iteration 248: trace = 2.412662231499839 (1.01202e-05% change) linmin: converged after 8 iterations. iteration 249: trace = 2.412661778846366 (1.87616e-05% change) linmin: converged after 4 iterations. iteration 250: trace = 2.412661646529992 (5.48425e-06% change) large trace change predicted (2.29079e-05%) linmin: converged after 6 iterations. iteration 251: trace = 2.412661094551263 (2.28784e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.41266045540582 (2.64913e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.412660330834369 (5.16324e-06% change) linmin: converged after 5 iterations. iteration 254: trace = 2.412660088017616 (1.00643e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.412659753374383 (1.38703e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.412659689278247 (2.65666e-06% change) large trace change predicted (1.06085e-05%) linmin: converged after 5 iterations. iteration 257: trace = 2.412659433394985 (1.06059e-05% change) linmin: converged after 3 iterations. iteration 258: trace = 2.41265939819889 (1.45881e-06% change) large trace change predicted (3.25859e-06%) linmin: converged after 2 iterations. iteration 259: trace = 2.412659319569637 (3.25903e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.412659193138797 (5.24031e-06% change) linmin: converged after 4 iterations. iteration 261: trace = 2.412659148262438 (1.86004e-06% change) large trace change predicted (4.57325e-06%) linmin: converged after 3 iterations. iteration 262: trace = 2.412659037928812 (4.57311e-06% change) large trace change predicted (9.99942e-06%) linmin: converged after 3 iterations. iteration 263: trace = 2.412658796722827 (9.99752e-06% change) linmin: converged after 2 iterations. iteration 264: trace = 2.412658738736654 (2.40341e-06% change) large trace change predicted (8.07785e-06%) linmin: converged after 2 iterations. iteration 265: trace = 2.412658543839925 (8.07809e-06% change) large trace change predicted (1.85307e-05%) linmin: converged after 3 iterations. iteration 266: trace = 2.412658096780619 (1.85297e-05% change) linmin: converged after 18 iterations. iteration 267: trace = 2.412658002593856 (3.90386e-06% change) large trace change predicted (3.77283e-05%) linmin: converged after 3 iterations. iteration 268: trace = 2.412657092188933 (3.77345e-05% change) linmin: converged after 4 iterations. iteration 269: trace = 2.412656429543355 (2.74654e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.41265589801858 (2.20307e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.412655358921608 (2.23445e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.412655030040948 (1.36315e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.412654517206331 (2.1256e-05% change) linmin: converged after 4 iterations. iteration 274: trace = 2.412654104258636 (1.71159e-05% change) linmin: converged after 2 iterations. iteration 275: trace = 2.412654008311804 (3.97682e-06% change) large trace change predicted (1.39559e-05%) linmin: converged after 4 iterations. iteration 276: trace = 2.412653671573064 (1.39572e-05% change) linmin: converged after 9 iterations. iteration 277: trace = 2.412653422875603 (1.0308e-05% change) linmin: converged after 16 iterations. iteration 278: trace = 2.41265322595961 (8.1618e-06% change) large trace change predicted (2.00162e-05%) linmin: converged after 3 iterations. iteration 279: trace = 2.412652742693363 (2.00305e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.412652499213283 (1.00918e-05% change) linmin: converged after 3 iterations. iteration 281: trace = 2.412652382534406 (4.83612e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.41265228025235 (4.2394e-06% change) linmin: converged after 5 iterations. iteration 283: trace = 2.412652203955211 (3.16238e-06% change) linmin: converged after 5 iterations. iteration 284: trace = 2.412652078604591 (5.19555e-06% change) linmin: converged after 3 iterations. iteration 285: trace = 2.412651897560381 (7.50395e-06% change) linmin: converged after 4 iterations. iteration 286: trace = 2.412651836057836 (2.54917e-06% change) large trace change predicted (1.09091e-05%) linmin: converged after 3 iterations. iteration 287: trace = 2.412651572821896 (1.09106e-05% change) linmin: converged after 5 iterations. iteration 288: trace = 2.412651365715245 (8.58419e-06% change) linmin: converged after 4 iterations. iteration 289: trace = 2.412651274368442 (3.78616e-06% change) large trace change predicted (2.32161e-05%) linmin: converged after 5 iterations. iteration 290: trace = 2.412650714164187 (2.32194e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.412650197980265 (2.13949e-05% change) linmin: converged after 14 iterations. iteration 292: trace = 2.412650023901272 (7.21526e-06% change) large trace change predicted (1.46825e-05%) linmin: converged after 7 iterations. iteration 293: trace = 2.412649669633992 (1.46837e-05% change) linmin: converged after 5 iterations. iteration 294: trace = 2.412649191611654 (1.98132e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.412649120212764 (2.95936e-06% change) large trace change predicted (1.45801e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.412648768393653 (1.45823e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.412648662526927 (4.38799e-06% change) linmin: converged after 4 iterations. iteration 298: trace = 2.412648519403908 (5.93219e-06% change) linmin: converged after 3 iterations. iteration 299: trace = 2.412648349644698 (7.03622e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.412648232842123 (4.84126e-06% change) linmin: converged after 4 iterations. iteration 301: trace = 2.41264816261973 (2.91059e-06% change) large trace change predicted (8.08228e-06%) linmin: converged after 4 iterations. iteration 302: trace = 2.412647967602745 (8.08311e-06% change) linmin: converged after 5 iterations. iteration 303: trace = 2.412647942028923 (1.05999e-06% change) large trace change predicted (6.21236e-06%) linmin: converged after 3 iterations. iteration 304: trace = 2.412647792118586 (6.21352e-06% change) linmin: converged after 2 iterations. iteration 305: trace = 2.412647732544191 (2.46925e-06% change) linmin: converged after 4 iterations. iteration 306: trace = 2.412647708180303 (1.00984e-06% change) large trace change predicted (5.58163e-06%) linmin: converged after 4 iterations. iteration 307: trace = 2.412647573474179 (5.58333e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.412647489905336 (3.46378e-06% change) linmin: converged after 3 iterations. iteration 309: trace = 2.412647457561911 (1.34058e-06% change) linmin: converged after 3 iterations. iteration 310: trace = 2.412647397836772 (2.4755e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.412647312244798 (3.54764e-06% change) linmin: converged after 4 iterations. iteration 312: trace = 2.412647275682161 (1.51546e-06% change) large trace change predicted (7.70898e-06%) linmin: converged after 4 iterations. iteration 313: trace = 2.412647089582336 (7.71351e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.412646991303354 (4.07349e-06% change) large trace change predicted (1.2663e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.412646685458969 (1.26767e-05% change) linmin: converged after 4 iterations. iteration 316: trace = 2.412646421520225 (1.09398e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.412646177249891 (1.01246e-05% change) linmin: converged after 4 iterations. iteration 318: trace = 2.412646105544004 (2.97208e-06% change) large trace change predicted (1.07857e-05%) linmin: converged after 3 iterations. iteration 319: trace = 2.412645845148307 (1.0793e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.412645805511652 (1.64287e-06% change) large trace change predicted (6.90953e-06%) linmin: converged after 3 iterations. iteration 321: trace = 2.412645638760237 (6.91156e-06% change) linmin: converged after 4 iterations. iteration 322: trace = 2.412645543881315 (3.93257e-06% change) linmin: converged after 4 iterations. iteration 323: trace = 2.412645505425639 (1.59392e-06% change) linmin: converged after 5 iterations. iteration 324: trace = 2.412645439333454 (2.73941e-06% change) linmin: converged after 3 iterations. iteration 325: trace = 2.412645350612028 (3.67735e-06% change) linmin: converged after 4 iterations. iteration 326: trace = 2.412645332911752 (7.33646e-07% change) large trace change predicted (4.13889e-06%) linmin: converged after 3 iterations. iteration 327: trace = 2.412645233040211 (4.1395e-06% change) linmin: converged after 14 iterations. iteration 328: trace = 2.412645203184484 (1.23747e-06% change) linmin: converged after 3 iterations. iteration 329: trace = 2.412645181289248 (9.0752e-07% change) large trace change predicted (2.92479e-06%) linmin: converged after 4 iterations. iteration 330: trace = 2.412645110725745 (2.92474e-06% change) linmin: converged after 2 iterations. iteration 331: trace = 2.412645079210439 (1.30626e-06% change) linmin: converged after 4 iterations. iteration 332: trace = 2.412645016555152 (2.59695e-06% change) linmin: converged after 5 iterations. iteration 333: trace = 2.412644934169797 (3.41473e-06% change) linmin: converged after 4 iterations. iteration 334: trace = 2.412644856765547 (3.20827e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.412644734871159 (5.05231e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.412644539766192 (8.08677e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.412644430541675 (4.52717e-06% change) large trace change predicted (1.24159e-05%) linmin: converged after 4 iterations. iteration 338: trace = 2.412644131023137 (1.24145e-05% change) linmin: converged after 5 iterations. iteration 339: trace = 2.412643882971502 (1.02813e-05% change) linmin: converged after 4 iterations. iteration 340: trace = 2.412643726380697 (6.49042e-06% change) linmin: converged after 3 iterations. iteration 341: trace = 2.412643540563209 (7.70182e-06% change) linmin: converged after 5 iterations. iteration 342: trace = 2.412643423179353 (4.86536e-06% change) linmin: converged after 4 iterations. iteration 343: trace = 2.412643334084952 (3.69281e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.412643171690913 (6.73096e-06% change) linmin: converged after 4 iterations. iteration 345: trace = 2.412643149287357 (9.2859e-07% change) large trace change predicted (2.85708e-06%) linmin: converged after 3 iterations. iteration 346: trace = 2.412643080367303 (2.85662e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.41264302505136 (2.29275e-06% change) linmin: converged after 3 iterations. iteration 348: trace = 2.412643004927425 (8.34103e-07% change) large trace change predicted (3.61792e-06%) linmin: converged after 3 iterations. iteration 349: trace = 2.412642917646239 (3.61766e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.412642859445579 (2.41232e-06% change) linmin: converged after 23 iterations. iteration 351: trace = 2.412642844813104 (6.06492e-07% change) large trace change predicted (1.70473e-06%) linmin: converged after 3 iterations. iteration 352: trace = 2.412642803688283 (1.70455e-06% change) linmin: converged after 6 iterations. iteration 353: trace = 2.412642759301845 (1.83974e-06% change) linmin: converged after 4 iterations. iteration 354: trace = 2.412642744248763 (6.23925e-07% change) large trace change predicted (4.72137e-06%) linmin: converged after 4 iterations. iteration 355: trace = 2.412642630332591 (4.72163e-06% change) linmin: converged after 3 iterations. iteration 356: trace = 2.412642589756975 (1.68179e-06% change) large trace change predicted (5.04259e-06%) linmin: converged after 3 iterations. iteration 357: trace = 2.412642468081529 (5.04324e-06% change) linmin: converged after 4 iterations. iteration 358: trace = 2.412642375922279 (3.81985e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.412642328216889 (1.97731e-06% change) large trace change predicted (9.25169e-06%) linmin: converged after 3 iterations. iteration 360: trace = 2.41264210501252 (9.25145e-06% change) linmin: converged after 25 iterations. iteration 361: trace = 2.41264190884885 (8.13066e-06% change) linmin: converged after 5 iterations. iteration 362: trace = 2.41264181472791 (3.90116e-06% change) linmin: converged after 3 iterations. iteration 363: trace = 2.412641643121817 (7.11279e-06% change) linmin: converged after 4 iterations. iteration 364: trace = 2.412641531498043 (4.62662e-06% change) linmin: converged after 2 iterations. iteration 365: trace = 2.412641483554933 (1.98716e-06% change) large trace change predicted (4.8557e-06%) linmin: converged after 3 iterations. iteration 366: trace = 2.412641366411219 (4.85541e-06% change) linmin: converged after 23 iterations. iteration 367: trace = 2.412641317770237 (2.01609e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.41264129264454 (1.04142e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.412641255843273 (1.52535e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.412641206702936 (2.03679e-06% change) linmin: converged after 5 iterations. iteration 371: trace = 2.412641193433993 (5.49976e-07% change) large trace change predicted (2.88416e-06%) linmin: converged after 12 iterations. iteration 372: trace = 2.412641123854957 (2.88394e-06% change) linmin: converged after 6 iterations. iteration 373: trace = 2.412641111673959 (5.04882e-07% change) large trace change predicted (2.18833e-06%) linmin: converged after 3 iterations. iteration 374: trace = 2.412641058883741 (2.18807e-06% change) linmin: converged after 2 iterations. iteration 375: trace = 2.412641021181182 (1.56271e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.412641007196029 (5.79662e-07% change) large trace change predicted (2.3571e-06%) linmin: converged after 3 iterations. iteration 377: trace = 2.412640950335902 (2.35676e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.412640872040208 (3.24523e-06% change) linmin: converged after 9 iterations. iteration 379: trace = 2.412640857046176 (6.21478e-07% change) large trace change predicted (4.68049e-06%) linmin: converged after 4 iterations. iteration 380: trace = 2.412640744163901 (4.67878e-06% change) linmin: converged after 4 iterations. iteration 381: trace = 2.412640680759552 (2.62801e-06% change) linmin: converged after 5 iterations. iteration 382: trace = 2.412640631533238 (2.04035e-06% change) large trace change predicted (1.0186e-05%) linmin: converged after 4 iterations. iteration 383: trace = 2.412640386046092 (1.0175e-05% change) linmin: converged after 4 iterations. iteration 384: trace = 2.41264017655295 (8.68315e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.412640111861084 (2.68137e-06% change) linmin: converged after 3 iterations. iteration 386: trace = 2.412640001020523 (4.59416e-06% change) linmin: converged after 4 iterations. iteration 387: trace = 2.412639906186659 (3.93071e-06% change) linmin: converged after 8 iterations. iteration 388: trace = 2.412639875163693 (1.28585e-06% change) large trace change predicted (3.61999e-06%) linmin: converged after 4 iterations. iteration 389: trace = 2.412639787843438 (3.61928e-06% change) linmin: converged after 4 iterations. iteration 390: trace = 2.412639730956203 (2.35788e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.412639697743978 (1.37659e-06% change) large trace change predicted (2.82443e-06%) linmin: converged after 3 iterations. iteration 392: trace = 2.412639629618678 (2.82368e-06% change) linmin: converged after 4 iterations. iteration 393: trace = 2.412639614807787 (6.13887e-07% change) large trace change predicted (1.80279e-06%) linmin: converged after 4 iterations. iteration 394: trace = 2.412639571322255 (1.8024e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.412639520785221 (2.09468e-06% change) linmin: converged after 4 iterations. iteration 396: trace = 2.412639509208852 (4.79822e-07% change) large trace change predicted (3.38565e-06%) linmin: converged after 8 iterations. iteration 397: trace = 2.412639427535376 (3.38523e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.412639395629452 (1.32245e-06% change) linmin: converged after 11 iterations. iteration 399: trace = 2.412639348248921 (1.96385e-06% change) linmin: converged after 3 iterations. iteration 400: trace = 2.412639294455711 (2.22964e-06% change) linmin: converged after 2 iterations. iteration 401: trace = 2.412639258035655 (1.50955e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.412639190554862 (2.79697e-06% change) linmin: converged after 20 iterations. iteration 403: trace = 2.41263905959015 (5.42828e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.412639025377223 (1.41807e-06% change) large trace change predicted (8.1116e-06%) linmin: converged after 3 iterations. iteration 405: trace = 2.412638829658797 (8.11221e-06% change) linmin: converged after 9 iterations. iteration 406: trace = 2.412638654950277 (7.24139e-06% change) linmin: converged after 3 iterations. iteration 407: trace = 2.412638598791363 (2.3277e-06% change) large trace change predicted (1.43761e-05%) linmin: converged after 5 iterations. iteration 408: trace = 2.412638251955339 (1.43758e-05% change) linmin: converged after 5 iterations. iteration 409: trace = 2.41263806804024 (7.62299e-06% change) linmin: converged after 4 iterations. iteration 410: trace = 2.412637954368074 (4.71153e-06% change) linmin: converged after 2 iterations. iteration 411: trace = 2.4126378702081 (3.4883e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.412637808358002 (2.56359e-06% change) linmin: converged after 11 iterations. iteration 413: trace = 2.412637747018324 (2.54243e-06% change) linmin: converged after 2 iterations. iteration 414: trace = 2.412637670086128 (3.18872e-06% change) linmin: converged after 2 iterations. iteration 415: trace = 2.41263763000963 (1.66111e-06% change) linmin: converged after 2 iterations. iteration 416: trace = 2.412637610893117 (7.92349e-07% change) large trace change predicted (1.72997e-06%) linmin: converged after 23 iterations. iteration 417: trace = 2.412637569153494 (1.73004e-06% change) linmin: converged after 4 iterations. iteration 418: trace = 2.412637520374493 (2.02181e-06% change) linmin: converged after 4 iterations. iteration 419: trace = 2.412637490056796 (1.25662e-06% change) resetting CG direction... linmin: converged after 37 iterations. iteration 420: trace = 2.412637461836419 (1.16969e-06% change) linmin: converged after 26 iterations. iteration 421: trace = 2.412637422063909 (1.64851e-06% change) linmin: converged after 10 iterations. iteration 422: trace = 2.412637385152995 (1.5299e-06% change) linmin: converged after 3 iterations. iteration 423: trace = 2.412637370796596 (5.9505e-07% change) large trace change predicted (1.80367e-06%) linmin: converged after 2 iterations. iteration 424: trace = 2.412637327279852 (1.8037e-06% change) linmin: converged after 3 iterations. iteration 425: trace = 2.412637258979955 (2.83092e-06% change) linmin: converged after 4 iterations. iteration 426: trace = 2.412637239659023 (8.00822e-07% change) large trace change predicted (3.59485e-06%) linmin: converged after 7 iterations. iteration 427: trace = 2.412637152925136 (3.59498e-06% change) linmin: converged after 3 iterations. iteration 428: trace = 2.412637091234963 (2.55696e-06% change) linmin: converged after 5 iterations. iteration 429: trace = 2.412637052961576 (1.58637e-06% change) large trace change predicted (8.00613e-06%) linmin: converged after 3 iterations. iteration 430: trace = 2.412636859775859 (8.00724e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.412636737527146 (5.06702e-06% change) linmin: converged after 5 iterations. iteration 432: trace = 2.412636571570054 (6.87866e-06% change) linmin: converged after 3 iterations. iteration 433: trace = 2.412636453794437 (4.88161e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.41263637227653 (3.37879e-06% change) linmin: converged after 4 iterations. iteration 435: trace = 2.412636272347467 (4.1419e-06% change) linmin: converged after 3 iterations. iteration 436: trace = 2.412636181631174 (3.76005e-06% change) linmin: converged after 3 iterations. iteration 437: trace = 2.412636132225534 (2.04779e-06% change) linmin: converged after 5 iterations. iteration 438: trace = 2.412636113738276 (7.66268e-07% change) linmin: converged after 5 iterations. iteration 439: trace = 2.412636076883901 (1.52756e-06% change) linmin: converged after 21 iterations. iteration 440: trace = 2.412636046674913 (1.25212e-06% change) linmin: converged after 25 iterations. iteration 441: trace = 2.412636033138629 (5.61058e-07% change) large trace change predicted (2.01909e-06%) linmin: converged after 3 iterations. iteration 442: trace = 2.412635984420391 (2.01929e-06% change) linmin: converged after 6 iterations. iteration 443: trace = 2.412635978767852 (2.34289e-07% change) large trace change predicted (1.72274e-06%) linmin: converged after 3 iterations. iteration 444: trace = 2.412635937196194 (1.72308e-06% change) linmin: converged after 3 iterations. iteration 445: trace = 2.41263591745279 (8.18333e-07% change) linmin: converged after 13 iterations. iteration 446: trace = 2.412635907137475 (4.27554e-07% change) large trace change predicted (1.84736e-06%) linmin: converged after 4 iterations. iteration 447: trace = 2.412635862549712 (1.84809e-06% change) linmin: converged after 3 iterations. iteration 448: trace = 2.412635846399404 (6.69405e-07% change) large trace change predicted (1.37742e-06%) linmin: converged after 6 iterations. iteration 449: trace = 2.412635813159552 (1.37774e-06% change) linmin: converged after 5 iterations. iteration 450: trace = 2.412635770365978 (1.77373e-06% change) linmin: converged after 2 iterations. iteration 451: trace = 2.412635750730444 (8.13862e-07% change) large trace change predicted (1.79047e-06%) linmin: converged after 5 iterations. iteration 452: trace = 2.412635707525042 (1.7908e-06% change) linmin: converged after 3 iterations. iteration 453: trace = 2.412635632280543 (3.11877e-06% change) linmin: converged after 2 iterations. iteration 454: trace = 2.412635606637174 (1.06288e-06% change) large trace change predicted (4.82637e-06%) linmin: converged after 3 iterations. iteration 455: trace = 2.41263549011407 (4.8297e-06% change) linmin: converged after 3 iterations. iteration 456: trace = 2.412635412984554 (3.1969e-06% change) linmin: converged after 5 iterations. iteration 457: trace = 2.412635330996352 (3.39828e-06% change) linmin: converged after 3 iterations. iteration 458: trace = 2.412635285448702 (1.88788e-06% change) linmin: converged after 4 iterations. iteration 459: trace = 2.412635209854777 (3.13325e-06% change) linmin: converged after 2 iterations. iteration 460: trace = 2.412635200585132 (3.84212e-07% change) large trace change predicted (1.50984e-06%) linmin: converged after 3 iterations. iteration 461: trace = 2.412635164153197 (1.51005e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.41263513479678 (1.21678e-06% change) linmin: converged after 2 iterations. iteration 463: trace = 2.412635126557433 (3.41508e-07% change) large trace change predicted (7.16386e-07%) linmin: converged after 2 iterations. iteration 464: trace = 2.412635109273548 (7.1639e-07% change) linmin: converged after 4 iterations. iteration 465: trace = 2.41263508246062 (1.11135e-06% change) linmin: converged after 2 iterations. iteration 466: trace = 2.412635075327449 (2.95659e-07% change) large trace change predicted (1.43069e-06%) linmin: converged after 3 iterations. iteration 467: trace = 2.412635040809578 (1.43071e-06% change) linmin: converged after 19 iterations. iteration 468: trace = 2.412635035295058 (2.28568e-07% change) large trace change predicted (6.50671e-07%) linmin: converged after 3 iterations. iteration 469: trace = 2.412635019596424 (6.50684e-07% change) linmin: converged after 3 iterations. iteration 470: trace = 2.412634992251697 (1.1334e-06% change) linmin: converged after 3 iterations. iteration 471: trace = 2.412634986950811 (2.19714e-07% change) large trace change predicted (1.39549e-06%) linmin: converged after 3 iterations. iteration 472: trace = 2.412634953285932 (1.39536e-06% change) linmin: converged after 6 iterations. iteration 473: trace = 2.412634914603901 (1.60331e-06% change) linmin: converged after 5 iterations. iteration 474: trace = 2.41263489795668 (6.90002e-07% change) large trace change predicted (2.33508e-06%) linmin: converged after 3 iterations. iteration 475: trace = 2.412634841612952 (2.33536e-06% change) linmin: converged after 5 iterations. iteration 476: trace = 2.412634784959861 (2.34818e-06% change) linmin: converged after 2 iterations. iteration 477: trace = 2.412634757823982 (1.12474e-06% change) large trace change predicted (4.58615e-06%) linmin: converged after 4 iterations. iteration 478: trace = 2.412634647181987 (4.58594e-06% change) linmin: converged after 4 iterations. iteration 479: trace = 2.41263460232079 (1.85943e-06% change) linmin: converged after 5 iterations. iteration 480: trace = 2.41263452617724 (3.15603e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.412634473371547 (2.18871e-06% change) linmin: converged after 19 iterations. iteration 482: trace = 2.412634433120973 (1.66832e-06% change) linmin: converged after 4 iterations. iteration 483: trace = 2.412634419686824 (5.56825e-07% change) large trace change predicted (1.73249e-06%) linmin: converged after 3 iterations. iteration 484: trace = 2.412634377890523 (1.73239e-06% change) linmin: converged after 5 iterations. iteration 485: trace = 2.412634372053955 (2.41917e-07% change) large trace change predicted (8.30937e-07%) linmin: converged after 16 iterations. iteration 486: trace = 2.412634352006608 (8.30932e-07% change) linmin: converged after 4 iterations. iteration 487: trace = 2.412634338410168 (5.63552e-07% change) linmin: converged after 33 iterations. iteration 488: trace = 2.412634332981738 (2.25e-07% change) large trace change predicted (7.47497e-07%) linmin: converged after 2 iterations. iteration 489: trace = 2.412634314947199 (7.47504e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.412634300150948 (6.13282e-07% change) linmin: converged after 6 iterations. iteration 491: trace = 2.412634295241867 (2.03474e-07% change) large trace change predicted (5.46002e-07%) linmin: converged after 4 iterations. iteration 492: trace = 2.412634282068757 (5.46005e-07% change) linmin: converged after 4 iterations. iteration 493: trace = 2.412634265485243 (6.87361e-07% change) linmin: converged after 3 iterations. iteration 494: trace = 2.412634260110126 (2.2279e-07% change) large trace change predicted (1.6288e-06%) linmin: converged after 2 iterations. iteration 495: trace = 2.412634220812826 (1.62881e-06% change) linmin: converged after 23 iterations. iteration 496: trace = 2.41263421181123 (3.73102e-07% change) large trace change predicted (9.92174e-07%) linmin: converged after 19 iterations. iteration 497: trace = 2.412634187873508 (9.92182e-07% change) large trace change predicted (2.26742e-06%) linmin: converged after 4 iterations. iteration 498: trace = 2.412634133169127 (2.26741e-06% change) linmin: converged after 3 iterations. iteration 499: trace = 2.412634119882701 (5.50702e-07% change) large trace change predicted (3.23838e-06%) linmin: converged after 5 iterations. iteration 500: trace = 2.412634041749078 (3.23852e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.412633963062304 (3.26145e-06% change) linmin: converged after 3 iterations. iteration 502: trace = 2.412633939997421 (9.56004e-07% change) linmin: converged after 3 iterations. iteration 503: trace = 2.41263389600519 (1.82341e-06% change) linmin: converged after 5 iterations. iteration 504: trace = 2.412633851756059 (1.83406e-06% change) linmin: converged after 3 iterations. iteration 505: trace = 2.412633836871628 (6.16937e-07% change) large trace change predicted (1.52743e-06%) linmin: converged after 3 iterations. iteration 506: trace = 2.41263380001807 (1.52752e-06% change) linmin: converged after 19 iterations. iteration 507: trace = 2.412633779144836 (8.65164e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.412633772650124 (2.69196e-07% change) linmin: converged after 3 iterations. iteration 509: trace = 2.41263376084543 (4.89287e-07% change) linmin: converged after 3 iterations. iteration 510: trace = 2.412633742575502 (7.57261e-07% change) linmin: converged after 3 iterations. iteration 511: trace = 2.412633738690095 (1.61044e-07% change) large trace change predicted (9.53845e-07%) linmin: converged after 8 iterations. iteration 512: trace = 2.412633715678568 (9.53793e-07% change) linmin: converged after 13 iterations. iteration 513: trace = 2.412633712018798 (1.51692e-07% change) large trace change predicted (7.4822e-07%) linmin: converged after 4 iterations. iteration 514: trace = 2.412633693968217 (7.48169e-07% change) linmin: converged after 2 iterations. iteration 515: trace = 2.412633677830488 (6.68884e-07% change) linmin: converged after 7 iterations. iteration 516: trace = 2.412633673498156 (1.79569e-07% change) large trace change predicted (9.78752e-07%) linmin: converged after 3 iterations. iteration 517: trace = 2.412633649886695 (9.78659e-07% change) linmin: converged after 4 iterations. iteration 518: trace = 2.412633624126148 (1.06774e-06% change) linmin: converged after 2 iterations. iteration 519: trace = 2.41263361841423 (2.3675e-07% change) large trace change predicted (1.47906e-06%) linmin: converged after 3 iterations. iteration 520: trace = 2.412633582735239 (1.47884e-06% change) linmin: converged after 7 iterations. iteration 521: trace = 2.412633546948009 (1.48333e-06% change) linmin: converged after 4 iterations. iteration 522: trace = 2.41263348544075 (2.54938e-06% change) linmin: converged after 12 iterations. iteration 523: trace = 2.412633439590564 (1.90042e-06% change) linmin: converged after 5 iterations. iteration 524: trace = 2.412633370423544 (2.86687e-06% change) linmin: converged after 3 iterations. iteration 525: trace = 2.412633347840773 (9.36022e-07% change) linmin: converged after 3 iterations. iteration 526: trace = 2.412633307955387 (1.65319e-06% change) linmin: converged after 3 iterations. iteration 527: trace = 2.412633273147848 (1.44272e-06% change) linmin: converged after 29 iterations. iteration 528: trace = 2.412633262489179 (4.41786e-07% change) large trace change predicted (1.30939e-06%) linmin: converged after 3 iterations. iteration 529: trace = 2.412633230905143 (1.30911e-06% change) linmin: converged after 3 iterations. iteration 530: trace = 2.412633206840749 (9.97433e-07% change) linmin: converged after 13 iterations. iteration 531: trace = 2.412633200936574 (2.44719e-07% change) large trace change predicted (1.05694e-06%) linmin: converged after 3 iterations. iteration 532: trace = 2.412633175442258 (1.0567e-06% change) linmin: converged after 10 iterations. iteration 533: trace = 2.412633168222967 (2.99229e-07% change) linmin: converged after 3 iterations. iteration 534: trace = 2.412633158476981 (4.03956e-07% change) large trace change predicted (9.6653e-07%) linmin: converged after 4 iterations. iteration 535: trace = 2.412633135161465 (9.66393e-07% change) linmin: converged after 4 iterations. iteration 536: trace = 2.41263312653655 (3.5749e-07% change) large trace change predicted (7.73713e-07%) linmin: converged after 4 iterations. iteration 537: trace = 2.412633107870155 (7.73694e-07% change) linmin: converged after 4 iterations. iteration 538: trace = 2.412633097143944 (4.44585e-07% change) linmin: converged after 4 iterations. iteration 539: trace = 2.412633087428071 (4.02708e-07% change) large trace change predicted (9.79657e-07%) linmin: converged after 6 iterations. iteration 540: trace = 2.412633063790916 (9.79724e-07% change) linmin: converged after 3 iterations. iteration 541: trace = 2.412633039678841 (9.99409e-07% change) linmin: converged after 2 iterations. iteration 542: trace = 2.41263302600683 (5.66684e-07% change) large trace change predicted (1.72997e-06%) linmin: converged after 3 iterations. iteration 543: trace = 2.412632984268974 (1.72997e-06% change) linmin: converged after 9 iterations. iteration 544: trace = 2.412632956748031 (1.1407e-06% change) linmin: converged after 16 iterations. iteration 545: trace = 2.4126329182803 (1.59443e-06% change) linmin: converged after 3 iterations. iteration 546: trace = 2.412632854540752 (2.64191e-06% change) linmin: converged after 2 iterations. iteration 547: trace = 2.412632806870938 (1.97584e-06% change) large trace change predicted (3.95876e-06%) linmin: converged after 3 iterations. iteration 548: trace = 2.4126327113534 (3.95906e-06% change) linmin: converged after 3 iterations. iteration 549: trace = 2.412632631852261 (3.2952e-06% change) linmin: converged after 4 iterations. iteration 550: trace = 2.412632613196227 (7.73265e-07% change) linmin: converged after 2 iterations. iteration 551: trace = 2.412632585585498 (1.14442e-06% change) linmin: converged after 3 iterations. iteration 552: trace = 2.412632559925147 (1.06358e-06% change) linmin: converged after 5 iterations. iteration 553: trace = 2.412632549432359 (4.3491e-07% change) large trace change predicted (1.0846e-06%) linmin: converged after 2 iterations. iteration 554: trace = 2.412632523264577 (1.08462e-06% change) linmin: converged after 4 iterations. iteration 555: trace = 2.412632509436549 (5.73151e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.412632503266173 (2.55753e-07% change) large trace change predicted (5.80132e-07%) linmin: converged after 3 iterations. iteration 557: trace = 2.412632489269159 (5.80155e-07% change) linmin: converged after 3 iterations. iteration 558: trace = 2.412632477608584 (4.83313e-07% change) linmin: converged after 2 iterations. iteration 559: trace = 2.412632465379013 (5.06897e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.41263245369378 (4.84335e-07% change) linmin: converged after 30 iterations. iteration 561: trace = 2.41263244335804 (4.28401e-07% change) linmin: converged after 4 iterations. iteration 562: trace = 2.412632430232763 (5.44023e-07% change) linmin: converged after 3 iterations. iteration 563: trace = 2.412632423731303 (2.69476e-07% change) linmin: converged after 3 iterations. iteration 564: trace = 2.412632410743588 (5.38321e-07% change) linmin: converged after 2 iterations. iteration 565: trace = 2.41263238748334 (9.64102e-07% change) linmin: converged after 6 iterations. iteration 566: trace = 2.412632377969501 (3.94334e-07% change) large trace change predicted (8.43205e-07%) linmin: converged after 8 iterations. iteration 567: trace = 2.412632357625399 (8.43233e-07% change) linmin: converged after 4 iterations. iteration 568: trace = 2.412632330923643 (1.10675e-06% change) linmin: converged after 3 iterations. iteration 569: trace = 2.412632316919374 (5.80456e-07% change) large trace change predicted (2.65367e-06%) linmin: converged after 3 iterations. iteration 570: trace = 2.412632252898448 (2.65357e-06% change) linmin: converged after 2 iterations. iteration 571: trace = 2.412632189217207 (2.63949e-06% change) linmin: converged after 4 iterations. iteration 572: trace = 2.412632144336174 (1.86025e-06% change) linmin: converged after 4 iterations. iteration 573: trace = 2.412632097787958 (1.92935e-06% change) linmin: converged after 3 iterations. iteration 574: trace = 2.412632061401309 (1.50817e-06% change) linmin: converged after 4 iterations. iteration 575: trace = 2.412632048557409 (5.32361e-07% change) large trace change predicted (1.14498e-06%) linmin: converged after 5 iterations. iteration 576: trace = 2.412632020932712 (1.145e-06% change) linmin: converged after 3 iterations. iteration 577: trace = 2.412632011126674 (4.06446e-07% change) linmin: converged after 2 iterations. iteration 578: trace = 2.412631995874579 (6.32177e-07% change) linmin: converged after 4 iterations. iteration 579: trace = 2.41263197896067 (7.01056e-07% change) linmin: converged after 3 iterations. iteration 580: trace = 2.412631973942156 (2.0801e-07% change) linmin: converged after 7 iterations. iteration 581: trace = 2.412631968292681 (2.34162e-07% change) large trace change predicted (6.12867e-07%) linmin: converged after 3 iterations. iteration 582: trace = 2.412631953505372 (6.12912e-07% change) linmin: converged after 31 iterations. iteration 583: trace = 2.412631950336109 (1.31361e-07% change) large trace change predicted (5.99932e-07%) linmin: converged after 4 iterations. iteration 584: trace = 2.412631935859884 (6.00018e-07% change) linmin: converged after 15 iterations. iteration 585: trace = 2.41263192768191 (3.38965e-07% change) linmin: converged after 7 iterations. iteration 586: trace = 2.412631922863373 (1.99721e-07% change) large trace change predicted (5.84064e-07%) linmin: converged after 3 iterations. iteration 587: trace = 2.412631908769953 (5.84151e-07% change) linmin: converged after 3 iterations. iteration 588: trace = 2.41263189445185 (5.93464e-07% change) linmin: converged after 3 iterations. iteration 589: trace = 2.412631889210663 (2.17239e-07% change) large trace change predicted (7.96732e-07%) linmin: converged after 3 iterations. iteration 590: trace = 2.412631869986904 (7.96796e-07% change) linmin: converged after 3 iterations. iteration 591: trace = 2.41263185711967 (5.33328e-07% change) linmin: converged after 3 iterations. iteration 592: trace = 2.412631847821285 (3.85404e-07% change) large trace change predicted (1.10194e-06%) linmin: converged after 4 iterations. iteration 593: trace = 2.412631821232198 (1.10208e-06% change) linmin: converged after 4 iterations. iteration 594: trace = 2.412631786206274 (1.45177e-06% change) linmin: converged after 3 iterations. iteration 595: trace = 2.41263176985648 (6.77675e-07% change) large trace change predicted (2.22662e-06%) linmin: converged after 3 iterations. iteration 596: trace = 2.412631716096847 (2.22826e-06% change) linmin: converged after 3 iterations. iteration 597: trace = 2.412631703763633 (5.11193e-07% change) linmin: converged after 4 iterations. iteration 598: trace = 2.412631694597279 (3.79932e-07% change) large trace change predicted (1.057e-06%) linmin: converged after 5 iterations. iteration 599: trace = 2.412631669090178 (1.05723e-06% change) linmin: converged after 24 iterations. iteration 600: trace = 2.412631666577382 (1.04152e-07% change) large trace change predicted (6.32033e-07%) linmin: converged after 3 iterations. iteration 601: trace = 2.412631651327268 (6.32095e-07% change) linmin: converged after 12 iterations. iteration 602: trace = 2.412631642500072 (3.65874e-07% change) linmin: converged after 10 iterations. iteration 603: trace = 2.412631639502962 (1.24226e-07% change) large trace change predicted (2.7101e-07%) linmin: converged after 2 iterations. iteration 604: trace = 2.412631632964456 (2.71011e-07% change) linmin: converged after 31 iterations. iteration 605: trace = 2.412631623224284 (4.03716e-07% change) linmin: converged after 10 iterations. iteration 606: trace = 2.412631621437908 (7.40426e-08% change) large trace change predicted (4.79149e-07%) linmin: converged after 16 iterations. iteration 607: trace = 2.412631609877675 (4.79154e-07% change) linmin: converged after 19 iterations. iteration 608: trace = 2.412631605161407 (1.95482e-07% change) linmin: converged after 25 iterations. iteration 609: trace = 2.412631599555391 (2.32361e-07% change) linmin: converged after 6 iterations. iteration 610: trace = 2.412631593178603 (2.64308e-07% change) linmin: converged after 3 iterations. iteration 611: trace = 2.41263158701481 (2.5548e-07% change) linmin: converged after 33 iterations. iteration 612: trace = 2.41263157963608 (3.05837e-07% change) large trace change predicted (6.98035e-07%) linmin: converged after 6 iterations. iteration 613: trace = 2.412631562796769 (6.97964e-07% change) linmin: converged after 17 iterations. iteration 614: trace = 2.412631553718684 (3.76273e-07% change) linmin: converged after 8 iterations. iteration 615: trace = 2.412631539941835 (5.7103e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.412631517181493 (9.43382e-07% change) linmin: converged after 28 iterations. iteration 617: trace = 2.41263150355989 (5.64595e-07% change) large trace change predicted (1.18514e-06%) linmin: converged after 4 iterations. iteration 618: trace = 2.412631474967517 (1.18511e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.412631442270336 (1.35525e-06% change) linmin: converged after 2 iterations. iteration 620: trace = 2.412631435127363 (2.96066e-07% change) large trace change predicted (1.13257e-06%) linmin: converged after 3 iterations. iteration 621: trace = 2.412631407804125 (1.13251e-06% change) linmin: converged after 6 iterations. iteration 622: trace = 2.412631401965749 (2.41992e-07% change) linmin: converged after 3 iterations. iteration 623: trace = 2.412631397521911 (1.84191e-07% change) large trace change predicted (5.10997e-07%) linmin: converged after 3 iterations. iteration 624: trace = 2.412631385193774 (5.10983e-07% change) linmin: converged after 3 iterations. iteration 625: trace = 2.412631378770197 (2.66248e-07% change) linmin: converged after 4 iterations. iteration 626: trace = 2.41263137484718 (1.62603e-07% change) linmin: converged after 11 iterations. iteration 627: trace = 2.412631370814226 (1.6716e-07% change) linmin: converged after 35 iterations. iteration 628: trace = 2.412631366116999 (1.94693e-07% change) linmin: converged after 16 iterations. iteration 629: trace = 2.412631356821822 (3.85271e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 630: trace = 2.412631348575617 (3.41793e-07% change) linmin: converged after 14 iterations. iteration 631: trace = 2.412631344775499 (1.57509e-07% change) linmin: converged after 14 iterations. iteration 632: trace = 2.41263134037631 (1.8234e-07% change) linmin: converged after 24 iterations. iteration 633: trace = 2.412631337019239 (1.39146e-07% change) linmin: converged after 3 iterations. iteration 634: trace = 2.412631331932099 (2.10854e-07% change) large trace change predicted (4.35955e-07%) linmin: converged after 2 iterations. iteration 635: trace = 2.412631321414021 (4.35959e-07% change) linmin: converged after 4 iterations. iteration 636: trace = 2.412631318506287 (1.20521e-07% change) linmin: converged after 4 iterations. iteration 637: trace = 2.412631312746789 (2.38723e-07% change) large trace change predicted (7.69623e-07%) linmin: converged after 5 iterations. iteration 638: trace = 2.412631294178333 (7.69635e-07% change) linmin: converged after 3 iterations. iteration 639: trace = 2.412631291034589 (1.30304e-07% change) large trace change predicted (1.09448e-06%) linmin: converged after 3 iterations. iteration 640: trace = 2.412631264628368 (1.0945e-06% change) linmin: converged after 3 iterations. iteration 641: trace = 2.41263124912147 (6.42738e-07% change) linmin: converged after 2 iterations. iteration 642: trace = 2.412631239439007 (4.01324e-07% change) large trace change predicted (9.91288e-07%) linmin: converged after 2 iterations. iteration 643: trace = 2.412631215522822 (9.91291e-07% change) linmin: converged after 18 iterations. iteration 644: trace = 2.412631200366761 (6.28196e-07% change) linmin: converged after 4 iterations. iteration 645: trace = 2.412631192481276 (3.26842e-07% change) large trace change predicted (7.02471e-07%) linmin: converged after 6 iterations. iteration 646: trace = 2.412631175532277 (7.02511e-07% change) linmin: converged after 4 iterations. iteration 647: trace = 2.412631168356966 (2.97406e-07% change) linmin: converged after 20 iterations. iteration 648: trace = 2.412631164524544 (1.58848e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.412631160092022 (1.83721e-07% change) linmin: converged after 4 iterations. iteration 650: trace = 2.412631156216765 (1.60624e-07% change) linmin: converged after 13 iterations. iteration 651: trace = 2.412631151694931 (1.87423e-07% change) linmin: converged after 3 iterations. iteration 652: trace = 2.412631144549845 (2.96153e-07% change) linmin: converged after 21 iterations. iteration 653: trace = 2.412631142902795 (6.82678e-08% change) large trace change predicted (1.86389e-07%) linmin: converged after 3 iterations. iteration 654: trace = 2.412631138406192 (1.86378e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.412631130435484 (3.30374e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.41263112839775 (8.4461e-08% change) large trace change predicted (2.72789e-07%) linmin: converged after 4 iterations. iteration 657: trace = 2.412631121816636 (2.72777e-07% change) linmin: converged after 4 iterations. iteration 658: trace = 2.412631111959638 (4.08558e-07% change) linmin: converged after 27 iterations. iteration 659: trace = 2.412631109871882 (8.65344e-08% change) large trace change predicted (4.30123e-07%) linmin: converged after 5 iterations. iteration 660: trace = 2.412631099495444 (4.30088e-07% change) linmin: converged after 4 iterations. iteration 661: trace = 2.412631088750692 (4.45354e-07% change) linmin: converged after 3 iterations. iteration 662: trace = 2.412631085005991 (1.55212e-07% change) large trace change predicted (1.39051e-06%) linmin: converged after 3 iterations. iteration 663: trace = 2.412631051470876 (1.38998e-06% change) linmin: converged after 8 iterations. iteration 664: trace = 2.412631044534053 (2.87521e-07% change) large trace change predicted (1.23614e-06%) linmin: converged after 4 iterations. iteration 665: trace = 2.412631014718941 (1.23579e-06% change) linmin: converged after 3 iterations. iteration 666: trace = 2.41263100083395 (5.75512e-07% change) linmin: converged after 3 iterations. iteration 667: trace = 2.412630991920331 (3.69456e-07% change) linmin: converged after 3 iterations. iteration 668: trace = 2.412630983382888 (3.53864e-07% change) linmin: converged after 3 iterations. iteration 669: trace = 2.412630972064142 (4.69145e-07% change) linmin: converged after 4 iterations. iteration 670: trace = 2.412630969681539 (9.87554e-08% change) large trace change predicted (5.38462e-07%) linmin: converged after 3 iterations. iteration 671: trace = 2.412630956692355 (5.38383e-07% change) linmin: converged after 4 iterations. iteration 672: trace = 2.412630950687375 (2.48898e-07% change) linmin: converged after 3 iterations. iteration 673: trace = 2.412630946401386 (1.77648e-07% change) linmin: converged after 9 iterations. iteration 674: trace = 2.41263094178895 (1.91179e-07% change) linmin: converged after 24 iterations. iteration 675: trace = 2.412630934478377 (3.03012e-07% change) linmin: converged after 4 iterations. iteration 676: trace = 2.412630933127947 (5.59733e-08% change) large trace change predicted (3.44664e-07%) linmin: converged after 6 iterations. iteration 677: trace = 2.412630924812629 (3.44658e-07% change) linmin: converged after 7 iterations. iteration 678: trace = 2.412630919927929 (2.02464e-07% change) linmin: converged after 3 iterations. iteration 679: trace = 2.41263091635969 (1.47898e-07% change) linmin: converged after 23 iterations. iteration 680: trace = 2.412630910426177 (2.45935e-07% change) linmin: converged after 24 iterations. iteration 681: trace = 2.412630901972597 (3.50388e-07% change) linmin: converged after 3 iterations. iteration 682: trace = 2.412630897961046 (1.66273e-07% change) large trace change predicted (5.35305e-07%) linmin: converged after 3 iterations. iteration 683: trace = 2.412630885046321 (5.35296e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.412630878513609 (2.70771e-07% change) large trace change predicted (9.49463e-07%) linmin: converged after 18 iterations. iteration 685: trace = 2.412630855606361 (9.49472e-07% change) linmin: converged after 19 iterations. iteration 686: trace = 2.412630840618719 (6.21216e-07% change) linmin: converged after 3 iterations. iteration 687: trace = 2.412630829084438 (4.78079e-07% change) large trace change predicted (1.5255e-06%) linmin: converged after 4 iterations. iteration 688: trace = 2.412630792274733 (1.52571e-06% change) linmin: converged after 16 iterations. iteration 689: trace = 2.412630775594847 (6.91357e-07% change) linmin: converged after 27 iterations. iteration 690: trace = 2.412630758540615 (7.06873e-07% change) linmin: converged after 5 iterations. iteration 691: trace = 2.412630748164281 (4.30084e-07% change) linmin: converged after 20 iterations. iteration 692: trace = 2.412630739295457 (3.676e-07% change) linmin: converged after 12 iterations. iteration 693: trace = 2.412630734745228 (1.886e-07% change) linmin: converged after 24 iterations. iteration 694: trace = 2.412630725898428 (3.66687e-07% change) linmin: converged after 2 iterations. iteration 695: trace = 2.412630722953378 (1.22068e-07% change) linmin: converged after 3 iterations. iteration 696: trace = 2.412630717528356 (2.24859e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.412630712908632 (1.91481e-07% change) linmin: converged after 3 iterations. iteration 698: trace = 2.412630708134426 (1.97884e-07% change) linmin: converged after 19 iterations. iteration 699: trace = 2.412630705452566 (1.11159e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.412630702900199 (1.05792e-07% change) linmin: converged after 7 iterations. iteration 701: trace = 2.412630698721329 (1.73208e-07% change) linmin: converged after 7 iterations. iteration 702: trace = 2.412630694195756 (1.87578e-07% change) linmin: converged after 20 iterations. iteration 703: trace = 2.412630691729648 (1.02217e-07% change) large trace change predicted (2.11554e-07%) linmin: converged after 3 iterations. iteration 704: trace = 2.412630686625747 (2.11549e-07% change) linmin: converged after 3 iterations. iteration 705: trace = 2.412630679417385 (2.98776e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.412630676464367 (1.22398e-07% change) large trace change predicted (3.35451e-07%) linmin: converged after 15 iterations. iteration 707: trace = 2.412630668371055 (3.35456e-07% change) linmin: converged after 26 iterations. iteration 708: trace = 2.412630660066947 (3.44193e-07% change) linmin: converged after 21 iterations. iteration 709: trace = 2.412630655300423 (1.97565e-07% change) large trace change predicted (9.85635e-07%) linmin: converged after 5 iterations. iteration 710: trace = 2.412630631521224 (9.85613e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.412630608200811 (9.66597e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.412630595400104 (5.30571e-07% change) linmin: converged after 5 iterations. iteration 713: trace = 2.412630583487556 (4.93758e-07% change) linmin: converged after 21 iterations. iteration 714: trace = 2.412630570397255 (5.42574e-07% change) linmin: converged after 2 iterations. iteration 715: trace = 2.412630561316741 (3.76374e-07% change) linmin: converged after 3 iterations. iteration 716: trace = 2.412630551927635 (3.89165e-07% change) linmin: converged after 10 iterations. iteration 717: trace = 2.412630549969792 (8.11497e-08% change) large trace change predicted (2.62939e-07%) linmin: converged after 3 iterations. iteration 718: trace = 2.412630543625931 (2.62944e-07% change) linmin: converged after 7 iterations. iteration 719: trace = 2.41263053932054 (1.78452e-07% change) linmin: converged after 4 iterations. iteration 720: trace = 2.412630537377462 (8.05377e-08% change) linmin: converged after 7 iterations. iteration 721: trace = 2.412630534065912 (1.37259e-07% change) linmin: converged after 4 iterations. iteration 722: trace = 2.412630529173448 (2.02785e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.412630527477726 (7.02852e-08% change) large trace change predicted (1.68396e-07%) linmin: converged after 19 iterations. iteration 724: trace = 2.412630523414882 (1.68399e-07% change) linmin: converged after 5 iterations. iteration 725: trace = 2.412630520770119 (1.09622e-07% change) linmin: converged after 6 iterations. iteration 726: trace = 2.412630519124897 (6.8192e-08% change) large trace change predicted (2.48063e-07%) linmin: converged after 17 iterations. iteration 727: trace = 2.412630513139425 (2.48089e-07% change) linmin: converged after 3 iterations. iteration 728: trace = 2.412630511876392 (5.23509e-08% change) large trace change predicted (2.20921e-07%) linmin: converged after 3 iterations. iteration 729: trace = 2.412630506545948 (2.20939e-07% change) linmin: converged after 3 iterations. iteration 730: trace = 2.412630500855044 (2.3588e-07% change) linmin: converged after 9 iterations. iteration 731: trace = 2.412630493746356 (2.94645e-07% change) linmin: converged after 3 iterations. iteration 732: trace = 2.412630490600628 (1.30386e-07% change) large trace change predicted (3.55075e-07%) linmin: converged after 15 iterations. iteration 733: trace = 2.412630482033123 (3.55111e-07% change) linmin: converged after 6 iterations. iteration 734: trace = 2.412630467997332 (5.81763e-07% change) linmin: converged after 13 iterations. iteration 735: trace = 2.412630461475286 (2.70329e-07% change) large trace change predicted (8.04978e-07%) linmin: converged after 5 iterations. iteration 736: trace = 2.412630442046265 (8.05304e-07% change) linmin: converged after 6 iterations. iteration 737: trace = 2.412630438149124 (1.61531e-07% change) linmin: converged after 28 iterations. iteration 738: trace = 2.412630434604044 (1.46938e-07% change) large trace change predicted (3.61263e-07%) linmin: converged after 5 iterations. iteration 739: trace = 2.412630425887123 (3.61304e-07% change) linmin: converged after 22 iterations. iteration 740: trace = 2.412630424476987 (5.84481e-08% change) large trace change predicted (1.66958e-07%) linmin: converged after 23 iterations. iteration 741: trace = 2.412630420448752 (1.66964e-07% change) linmin: converged after 23 iterations. iteration 742: trace = 2.412630416581729 (1.60282e-07% change) linmin: converged after 3 iterations. iteration 743: trace = 2.412630415566934 (4.20618e-08% change) large trace change predicted (9.5054e-08%) linmin: converged after 26 iterations. iteration 744: trace = 2.412630413273622 (9.50544e-08% change) linmin: converged after 8 iterations. iteration 745: trace = 2.412630409750568 (1.46025e-07% change) linmin: converged after 4 iterations. iteration 746: trace = 2.412630408899045 (3.52944e-08% change) large trace change predicted (1.74437e-07%) linmin: converged after 2 iterations. iteration 747: trace = 2.412630404690509 (1.74438e-07% change) linmin: converged after 3 iterations. iteration 748: trace = 2.412630402828781 (7.71659e-08% change) linmin: converged after 5 iterations. iteration 749: trace = 2.41263040125073 (6.54079e-08% change) linmin: converged after 2 iterations. iteration 750: trace = 2.412630398787035 (1.02117e-07% change) linmin: converged after 8 iterations. iteration 751: trace = 2.412630396692446 (8.68176e-08% change) linmin: converged after 4 iterations. iteration 752: trace = 2.412630393831708 (1.18573e-07% change) linmin: converged after 6 iterations. iteration 753: trace = 2.412630388799679 (2.0857e-07% change) linmin: converged after 4 iterations. iteration 754: trace = 2.412630386543187 (9.35283e-08% change) large trace change predicted (2.19226e-07%) linmin: converged after 5 iterations. iteration 755: trace = 2.412630381254233 (2.19219e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.412630372666863 (3.55934e-07% change) linmin: converged after 7 iterations. iteration 757: trace = 2.412630369953678 (1.12458e-07% change) large trace change predicted (5.4323e-07%) linmin: converged after 4 iterations. iteration 758: trace = 2.412630356847925 (5.43214e-07% change) linmin: converged after 4 iterations. iteration 759: trace = 2.412630345477035 (4.71307e-07% change) linmin: converged after 4 iterations. iteration 760: trace = 2.412630343402828 (8.59728e-08% change) large trace change predicted (3.18989e-07%) linmin: converged after 3 iterations. iteration 761: trace = 2.412630335707014 (3.1898e-07% change) linmin: converged after 3 iterations. iteration 762: trace = 2.412630333198186 (1.03987e-07% change) linmin: converged after 19 iterations. iteration 763: trace = 2.412630331974383 (5.07248e-08% change) large trace change predicted (1.87012e-07%) linmin: converged after 3 iterations. iteration 764: trace = 2.41263032746255 (1.87009e-07% change) linmin: converged after 4 iterations. iteration 765: trace = 2.412630326563659 (3.72577e-08% change) large trace change predicted (9.19309e-08%) linmin: converged after 10 iterations. iteration 766: trace = 2.412630324345699 (9.19312e-08% change) linmin: converged after 4 iterations. iteration 767: trace = 2.412630322187022 (8.9474e-08% change) linmin: converged after 10 iterations. iteration 768: trace = 2.412630321514101 (2.78916e-08% change) large trace change predicted (7.72777e-08%) linmin: converged after 7 iterations. iteration 769: trace = 2.412630319649701 (7.72767e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.412630317868127 (7.38436e-08% change) linmin: converged after 3 iterations. iteration 771: trace = 2.412630317237427 (2.61416e-08% change) large trace change predicted (8.7879e-08%) linmin: converged after 26 iterations. iteration 772: trace = 2.412630315117234 (8.78789e-08% change) linmin: converged after 4 iterations. iteration 773: trace = 2.412630313020271 (8.69161e-08% change) linmin: converged after 5 iterations. iteration 774: trace = 2.412630312173231 (3.51085e-08% change) large trace change predicted (1.58423e-07%) linmin: converged after 2 iterations. iteration 775: trace = 2.412630308351077 (1.58423e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.412630306755297 (6.61427e-08% change) linmin: converged after 6 iterations. iteration 777: trace = 2.412630305150861 (6.65015e-08% change) large trace change predicted (3.1318e-07%) linmin: converged after 9 iterations. iteration 778: trace = 2.412630297594885 (3.13184e-07% change) linmin: converged after 11 iterations. iteration 779: trace = 2.412630296100234 (6.19511e-08% change) large trace change predicted (3.95827e-07%) linmin: converged after 3 iterations. iteration 780: trace = 2.412630286550218 (3.95834e-07% change) linmin: converged after 7 iterations. iteration 781: trace = 2.412630279542905 (2.90443e-07% change) linmin: converged after 3 iterations. iteration 782: trace = 2.412630275350564 (1.73766e-07% change) linmin: converged after 3 iterations. iteration 783: trace = 2.412630269668914 (2.35496e-07% change) linmin: converged after 19 iterations. iteration 784: trace = 2.412630262832058 (2.83378e-07% change) linmin: converged after 4 iterations. iteration 785: trace = 2.412630261446174 (5.74428e-08% change) large trace change predicted (1.87201e-07%) linmin: converged after 9 iterations. iteration 786: trace = 2.412630256929665 (1.87203e-07% change) linmin: converged after 9 iterations. iteration 787: trace = 2.412630254537486 (9.91523e-08% change) linmin: converged after 3 iterations. iteration 788: trace = 2.412630253518343 (4.2242e-08% change) linmin: converged after 19 iterations. iteration 789: trace = 2.412630251920914 (6.62111e-08% change) linmin: converged after 8 iterations. iteration 790: trace = 2.41263024910309 (1.16795e-07% change) linmin: converged after 4 iterations. iteration 791: trace = 2.412630248726472 (1.56103e-08% change) large trace change predicted (1.09238e-07%) linmin: converged after 9 iterations. iteration 792: trace = 2.412630246091002 (1.09236e-07% change) linmin: converged after 3 iterations. iteration 793: trace = 2.412630244922155 (4.8447e-08% change) linmin: converged after 18 iterations. iteration 794: trace = 2.412630244232069 (2.8603e-08% change) large trace change predicted (1.34397e-07%) linmin: converged after 3 iterations. iteration 795: trace = 2.412630240989678 (1.34392e-07% change) linmin: converged after 4 iterations. iteration 796: trace = 2.412630240262083 (3.01578e-08% change) large trace change predicted (1.1302e-07%) linmin: converged after 3 iterations. iteration 797: trace = 2.412630237535456 (1.13015e-07% change) linmin: converged after 5 iterations. iteration 798: trace = 2.412630234820691 (1.12523e-07% change) linmin: converged after 3 iterations. iteration 799: trace = 2.41263023377728 (4.32478e-08% change) large trace change predicted (1.02522e-07%) linmin: converged after 10 iterations. iteration 800: trace = 2.41263023130382 (1.02521e-07% change) large trace change predicted (2.76893e-07%) linmin: converged after 5 iterations. iteration 801: trace = 2.412630224624287 (2.76857e-07% change) linmin: converged after 17 iterations. iteration 802: trace = 2.412630222255615 (9.8178e-08% change) large trace change predicted (4.92994e-07%) linmin: converged after 4 iterations. iteration 803: trace = 2.412630210364647 (4.92863e-07% change) linmin: converged after 3 iterations. iteration 804: trace = 2.412630200433205 (4.11644e-07% change) linmin: converged after 28 iterations. iteration 805: trace = 2.412630195941604 (1.8617e-07% change) linmin: converged after 4 iterations. iteration 806: trace = 2.412630193608453 (9.67057e-08% change) large trace change predicted (2.60639e-07%) linmin: converged after 5 iterations. iteration 807: trace = 2.412630187320838 (2.60612e-07% change) linmin: converged after 4 iterations. iteration 808: trace = 2.412630183176117 (1.71793e-07% change) linmin: converged after 4 iterations. iteration 809: trace = 2.412630182068422 (4.59124e-08% change) large trace change predicted (1.43362e-07%) linmin: converged after 10 iterations. iteration 810: trace = 2.412630178609815 (1.43354e-07% change) linmin: converged after 21 iterations. iteration 811: trace = 2.412630177234165 (5.70187e-08% change) linmin: converged after 18 iterations. iteration 812: trace = 2.412630176226698 (4.17581e-08% change) large trace change predicted (1.13102e-07%) linmin: converged after 4 iterations. iteration 813: trace = 2.412630173498098 (1.13096e-07% change) linmin: converged after 11 iterations. iteration 814: trace = 2.412630172429498 (4.42919e-08% change) large trace change predicted (9.31313e-08%) linmin: converged after 6 iterations. iteration 815: trace = 2.412630170182694 (9.31268e-08% change) linmin: converged after 7 iterations. iteration 816: trace = 2.412630168425175 (7.28466e-08% change) linmin: converged after 7 iterations. iteration 817: trace = 2.412630167335922 (4.5148e-08% change) linmin: converged after 34 iterations. iteration 818: trace = 2.4126301655405 (7.44176e-08% change) linmin: converged after 4 iterations. iteration 819: trace = 2.412630162508688 (1.25664e-07% change) linmin: converged after 6 iterations. iteration 820: trace = 2.412630161403833 (4.57946e-08% change) large trace change predicted (1.57552e-07%) linmin: converged after 3 iterations. iteration 821: trace = 2.412630157602701 (1.57551e-07% change) linmin: converged after 3 iterations. iteration 822: trace = 2.412630155205343 (9.9367e-08% change) linmin: converged after 13 iterations. iteration 823: trace = 2.412630152160419 (1.26208e-07% change) linmin: converged after 10 iterations. iteration 824: trace = 2.412630146434432 (2.37334e-07% change) linmin: converged after 7 iterations. iteration 825: trace = 2.412630140606383 (2.41564e-07% change) linmin: converged after 3 iterations. iteration 826: trace = 2.412630136110739 (1.86338e-07% change) large trace change predicted (6.51358e-07%) linmin: converged after 22 iterations. iteration 827: trace = 2.412630120394821 (6.51402e-07% change) linmin: converged after 13 iterations. iteration 828: trace = 2.412630118507895 (7.82103e-08% change) large trace change predicted (2.9953e-07%) linmin: converged after 19 iterations. iteration 829: trace = 2.412630111281268 (2.99533e-07% change) linmin: converged after 24 iterations. iteration 830: trace = 2.412630105783522 (2.27874e-07% change) linmin: converged after 16 iterations. iteration 831: trace = 2.412630103763826 (8.37134e-08% change) linmin: converged after 3 iterations. iteration 832: trace = 2.412630100578352 (1.32033e-07% change) linmin: converged after 3 iterations. iteration 833: trace = 2.412630097388273 (1.32224e-07% change) linmin: converged after 3 iterations. iteration 834: trace = 2.412630096662051 (3.01008e-08% change) large trace change predicted (1.06026e-07%) linmin: converged after 3 iterations. iteration 835: trace = 2.412630094104007 (1.06027e-07% change) linmin: converged after 4 iterations. iteration 836: trace = 2.412630093020168 (4.49236e-08% change) linmin: converged after 4 iterations. iteration 837: trace = 2.412630091649397 (5.68165e-08% change) linmin: converged after 3 iterations. iteration 838: trace = 2.412630090038643 (6.67634e-08% change) large trace change predicted (1.85395e-07%) linmin: converged after 5 iterations. iteration 839: trace = 2.412630085565559 (1.85403e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.41263008151028 (1.68085e-07% change) linmin: converged after 2 iterations. iteration 841: trace = 2.412630079878606 (6.76305e-08% change) linmin: converged after 4 iterations. iteration 842: trace = 2.412630078477312 (5.80816e-08% change) linmin: converged after 9 iterations. iteration 843: trace = 2.412630077511205 (4.00437e-08% change) large trace change predicted (1.0145e-07%) linmin: converged after 4 iterations. iteration 844: trace = 2.412630075063618 (1.01449e-07% change) linmin: converged after 13 iterations. iteration 845: trace = 2.412630074286727 (3.2201e-08% change) large trace change predicted (8.56865e-08%) linmin: converged after 3 iterations. iteration 846: trace = 2.412630072219485 (8.56842e-08% change) linmin: converged after 7 iterations. iteration 847: trace = 2.412630069692656 (1.04733e-07% change) linmin: converged after 3 iterations. iteration 848: trace = 2.412630068370095 (5.48183e-08% change) large trace change predicted (1.5323e-07%) linmin: converged after 4 iterations. iteration 849: trace = 2.412630064673256 (1.53229e-07% change) large trace change predicted (3.21858e-07%) linmin: converged after 7 iterations. iteration 850: trace = 2.412630056908164 (3.21852e-07% change) linmin: converged after 4 iterations. iteration 851: trace = 2.41263005546774 (5.97035e-08% change) large trace change predicted (4.3889e-07%) linmin: converged after 11 iterations. iteration 852: trace = 2.412630044879021 (4.38887e-07% change) linmin: converged after 10 iterations. iteration 853: trace = 2.412630040042149 (2.00481e-07% change) linmin: converged after 8 iterations. iteration 854: trace = 2.412630037298545 (1.13718e-07% change) linmin: converged after 7 iterations. iteration 855: trace = 2.412630032813382 (1.85903e-07% change) linmin: converged after 4 iterations. iteration 856: trace = 2.412630029399109 (1.41517e-07% change) linmin: converged after 2 iterations. iteration 857: trace = 2.412630028212164 (4.91971e-08% change) linmin: converged after 18 iterations. iteration 858: trace = 2.412630026220737 (8.25417e-08% change) linmin: converged after 16 iterations. iteration 859: trace = 2.412630024819416 (5.80827e-08% change) linmin: converged after 14 iterations. iteration 860: trace = 2.412630024026551 (3.28631e-08% change) linmin: converged after 3 iterations. iteration 861: trace = 2.412630022553406 (6.10597e-08% change) linmin: converged after 3 iterations. iteration 862: trace = 2.41263002171375 (3.48025e-08% change) linmin: converged after 9 iterations. iteration 863: trace = 2.412630020152418 (6.4715e-08% change) linmin: converged after 16 iterations. iteration 864: trace = 2.412630019147033 (4.16717e-08% change) linmin: converged after 6 iterations. iteration 865: trace = 2.41263001848697 (2.73587e-08% change) linmin: converged after 3 iterations. iteration 866: trace = 2.41263001729565 (4.93785e-08% change) linmin: converged after 26 iterations. iteration 867: trace = 2.412630015476 (7.54219e-08% change) linmin: converged after 3 iterations. iteration 868: trace = 2.412630014722096 (3.12482e-08% change) large trace change predicted (7.86228e-08%) linmin: converged after 23 iterations. iteration 869: trace = 2.412630012825134 (7.86263e-08% change) linmin: converged after 6 iterations. iteration 870: trace = 2.412630011092031 (7.18346e-08% change) linmin: converged after 3 iterations. iteration 871: trace = 2.412630010196684 (3.71108e-08% change) large trace change predicted (9.56084e-08%) linmin: converged after 21 iterations. iteration 872: trace = 2.412630007889925 (9.56118e-08% change) linmin: converged after 14 iterations. iteration 873: trace = 2.412630004057833 (1.58835e-07% change) linmin: converged after 5 iterations. iteration 874: trace = 2.412630000345374 (1.53876e-07% change) linmin: converged after 3 iterations. iteration 875: trace = 2.412629996960273 (1.40308e-07% change) linmin: converged after 4 iterations. iteration 876: trace = 2.41262999182819 (2.12717e-07% change) linmin: converged after 3 iterations. iteration 877: trace = 2.41262998997961 (7.6621e-08% change) linmin: converged after 7 iterations. iteration 878: trace = 2.412629987744847 (9.26277e-08% change) linmin: converged after 5 iterations. iteration 879: trace = 2.41262998472488 (1.25173e-07% change) linmin: converged after 4 iterations. iteration 880: trace = 2.41262998388736 (3.4714e-08% change) large trace change predicted (7.91859e-08%) linmin: converged after 4 iterations. iteration 881: trace = 2.412629981976823 (7.9189e-08% change) linmin: converged after 2 iterations. iteration 882: trace = 2.412629981234265 (3.07779e-08% change) linmin: converged after 4 iterations. iteration 883: trace = 2.41262998053784 (2.88658e-08% change) linmin: converged after 4 iterations. iteration 884: trace = 2.412629979558923 (4.05747e-08% change) linmin: converged after 3 iterations. iteration 885: trace = 2.412629978925704 (2.6246e-08% change) linmin: converged after 20 iterations. iteration 886: trace = 2.412629978009389 (3.79799e-08% change) linmin: converged after 2 iterations. iteration 887: trace = 2.412629976503111 (6.2433e-08% change) linmin: converged after 6 iterations. iteration 888: trace = 2.412629976306796 (8.13697e-09% change) large trace change predicted (3.06396e-08%) linmin: converged after 4 iterations. iteration 889: trace = 2.412629975567579 (3.06395e-08% change) linmin: converged after 4 iterations. iteration 890: trace = 2.412629974494204 (4.44898e-08% change) linmin: converged after 7 iterations. iteration 891: trace = 2.412629974274471 (9.10762e-09% change) large trace change predicted (7.08135e-08%) linmin: converged after 3 iterations. iteration 892: trace = 2.41262997256604 (7.0812e-08% change) linmin: converged after 13 iterations. iteration 893: trace = 2.412629971667166 (3.7257e-08% change) linmin: converged after 9 iterations. iteration 894: trace = 2.412629970211166 (6.03491e-08% change) linmin: converged after 3 iterations. iteration 895: trace = 2.4126299675696 (1.09489e-07% change) linmin: converged after 4 iterations. iteration 896: trace = 2.412629966679517 (3.68926e-08% change) large trace change predicted (9.2062e-08%) linmin: converged after 16 iterations. iteration 897: trace = 2.412629964458456 (9.20598e-08% change) linmin: converged after 4 iterations. iteration 898: trace = 2.412629960107839 (1.80327e-07% change) linmin: converged after 4 iterations. iteration 899: trace = 2.412629956681058 (1.42035e-07% change) linmin: converged after 17 iterations. iteration 900: trace = 2.412629955568261 (4.61238e-08% change) large trace change predicted (1.24164e-07%) linmin: converged after 3 iterations. iteration 901: trace = 2.412629952572671 (1.24163e-07% change) linmin: converged after 7 iterations. iteration 902: trace = 2.41262995211164 (1.91091e-08% change) linmin: converged after 4 iterations. iteration 903: trace = 2.412629951351644 (3.15007e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.412629949860268 (6.18154e-08% change) linmin: converged after 4 iterations. iteration 905: trace = 2.412629949640863 (9.094e-09% change) large trace change predicted (4.08356e-08%) linmin: converged after 4 iterations. iteration 906: trace = 2.412629948655661 (4.08352e-08% change) linmin: converged after 3 iterations. iteration 907: trace = 2.412629948000308 (2.71634e-08% change) linmin: converged after 3 iterations. iteration 908: trace = 2.412629947791989 (8.63451e-09% change) large trace change predicted (2.62099e-08%) linmin: converged after 3 iterations. iteration 909: trace = 2.412629947159648 (2.62096e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.412629946603579 (2.30482e-08% change) linmin: converged after 18 iterations. iteration 911: trace = 2.412629946430211 (7.18585e-09% change) large trace change predicted (2.97514e-08%) linmin: converged after 4 iterations. iteration 912: trace = 2.412629945712421 (2.97514e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.412629945037566 (2.79718e-08% change) linmin: converged after 4 iterations. iteration 914: trace = 2.412629944635202 (1.66774e-08% change) large trace change predicted (5.89224e-08%) linmin: converged after 29 iterations. iteration 915: trace = 2.412629943213624 (5.89224e-08% change) linmin: converged after 28 iterations. iteration 916: trace = 2.412629942673241 (2.23981e-08% change) linmin: converged after 37 iterations. iteration 917: trace = 2.412629942084224 (2.44139e-08% change) large trace change predicted (1.08341e-07%) linmin: converged after 3 iterations. iteration 918: trace = 2.412629939470376 (1.0834e-07% change) linmin: converged after 12 iterations. iteration 919: trace = 2.412629939024025 (1.85006e-08% change) large trace change predicted (1.45008e-07%) linmin: converged after 36 iterations. iteration 920: trace = 2.412629935525507 (1.45008e-07% change) linmin: converged after 35 iterations. iteration 921: trace = 2.412629933133675 (9.9138e-08% change) linmin: converged after 33 iterations. iteration 922: trace = 2.412629931939856 (4.94821e-08% change) linmin: converged after 6 iterations. iteration 923: trace = 2.412629929684806 (9.34685e-08% change) linmin: converged after 3 iterations. iteration 924: trace = 2.412629927522294 (8.9633e-08% change) linmin: converged after 3 iterations. iteration 925: trace = 2.412629926960233 (2.32966e-08% change) large trace change predicted (6.17147e-08%) linmin: converged after 4 iterations. iteration 926: trace = 2.412629925471272 (6.17153e-08% change) linmin: converged after 3 iterations. iteration 927: trace = 2.412629924752712 (2.97833e-08% change) linmin: converged after 18 iterations. iteration 928: trace = 2.412629924340847 (1.70712e-08% change) linmin: converged after 25 iterations. iteration 929: trace = 2.412629923690569 (2.69531e-08% change) linmin: converged after 3 iterations. iteration 930: trace = 2.412629922606678 (4.49257e-08% change) linmin: converged after 4 iterations. iteration 931: trace = 2.412629922381308 (9.34124e-09% change) large trace change predicted (2.78896e-08%) linmin: converged after 3 iterations. iteration 932: trace = 2.412629921708441 (2.78894e-08% change) linmin: converged after 2 iterations. iteration 933: trace = 2.41262992104805 (2.73722e-08% change) linmin: converged after 3 iterations. iteration 934: trace = 2.412629920845703 (8.38699e-09% change) large trace change predicted (4.79543e-08%) linmin: converged after 4 iterations. iteration 935: trace = 2.412629919688754 (4.79538e-08% change) linmin: converged after 4 iterations. iteration 936: trace = 2.412629919114845 (2.37877e-08% change) linmin: converged after 2 iterations. iteration 937: trace = 2.412629918511692 (2.49998e-08% change) large trace change predicted (5.65366e-08%) linmin: converged after 5 iterations. iteration 938: trace = 2.412629917147718 (5.65348e-08% change) linmin: converged after 2 iterations. iteration 939: trace = 2.412629916739739 (1.69101e-08% change) large trace change predicted (3.49757e-08%) linmin: converged after 6 iterations. iteration 940: trace = 2.412629915895912 (3.49754e-08% change) large trace change predicted (1.03946e-07%) linmin: converged after 25 iterations. iteration 941: trace = 2.412629913388183 (1.03942e-07% change) linmin: converged after 14 iterations. iteration 942: trace = 2.412629911739267 (6.83452e-08% change) large trace change predicted (1.3842e-07%) linmin: converged after 14 iterations. iteration 943: trace = 2.412629908400014 (1.38407e-07% change) linmin: converged after 4 iterations. iteration 944: trace = 2.412629905801034 (1.07724e-07% change) linmin: converged after 3 iterations. iteration 945: trace = 2.412629904539625 (5.22836e-08% change) linmin: converged after 6 iterations. iteration 946: trace = 2.412629902658073 (7.79876e-08% change) linmin: converged after 5 iterations. iteration 947: trace = 2.412629900580813 (8.60994e-08% change) linmin: converged after 4 iterations. iteration 948: trace = 2.412629899923036 (2.72639e-08% change) linmin: converged after 17 iterations. iteration 949: trace = 2.412629898704476 (5.05076e-08% change) linmin: converged after 3 iterations. iteration 950: trace = 2.412629897638364 (4.41888e-08% change) linmin: converged after 10 iterations. iteration 951: trace = 2.412629897314533 (1.34223e-08% change) linmin: converged after 3 iterations. iteration 952: trace = 2.412629896768283 (2.26413e-08% change) linmin: converged after 3 iterations. iteration 953: trace = 2.412629895711747 (4.37919e-08% change) linmin: converged after 6 iterations. iteration 954: trace = 2.412629895548865 (6.75123e-09% change) large trace change predicted (4.65758e-08%) linmin: converged after 9 iterations. iteration 955: trace = 2.412629894425191 (4.65747e-08% change) linmin: converged after 3 iterations. iteration 956: trace = 2.412629893390733 (4.28768e-08% change) linmin: converged after 24 iterations. iteration 957: trace = 2.412629893120608 (1.11963e-08% change) linmin: converged after 3 iterations. iteration 958: trace = 2.41262989263121 (2.02848e-08% change) large trace change predicted (4.44366e-08%) linmin: converged after 27 iterations. iteration 959: trace = 2.412629891559116 (4.44368e-08% change) linmin: converged after 4 iterations. iteration 960: trace = 2.412629891263049 (1.22716e-08% change) large trace change predicted (4.97846e-08%) linmin: converged after 4 iterations. iteration 961: trace = 2.41262989006193 (4.97846e-08% change) linmin: converged after 28 iterations. iteration 962: trace = 2.412629888406727 (6.86058e-08% change) linmin: converged after 3 iterations. iteration 963: trace = 2.412629887741038 (2.75918e-08% change) large trace change predicted (9.7619e-08%) linmin: converged after 6 iterations. iteration 964: trace = 2.412629885385868 (9.76184e-08% change) linmin: converged after 9 iterations. iteration 965: trace = 2.412629883467717 (7.95046e-08% change) linmin: converged after 16 iterations. iteration 966: trace = 2.412629881976846 (6.17944e-08% change) large trace change predicted (2.09176e-07%) linmin: converged after 23 iterations. iteration 967: trace = 2.412629876930009 (2.09184e-07% change) linmin: converged after 5 iterations. iteration 968: trace = 2.412629875543301 (5.7477e-08% change) linmin: converged after 23 iterations. iteration 969: trace = 2.412629873599101 (8.05842e-08% change) linmin: converged after 2 iterations. iteration 970: trace = 2.412629872166236 (5.93902e-08% change) linmin: converged after 6 iterations. iteration 971: trace = 2.412629871567043 (2.48357e-08% change) linmin: converged after 3 iterations. iteration 972: trace = 2.412629870410906 (4.79202e-08% change) linmin: converged after 3 iterations. iteration 973: trace = 2.412629869348892 (4.40189e-08% change) linmin: converged after 4 iterations. iteration 974: trace = 2.412629869132651 (8.96287e-09% change) large trace change predicted (3.83009e-08%) linmin: converged after 3 iterations. iteration 975: trace = 2.412629868208587 (3.83011e-08% change) linmin: converged after 17 iterations. iteration 976: trace = 2.412629867508941 (2.89993e-08% change) linmin: converged after 4 iterations. iteration 977: trace = 2.41262986714653 (1.50214e-08% change) large trace change predicted (3.0632e-08%) linmin: converged after 3 iterations. iteration 978: trace = 2.412629866407475 (3.06327e-08% change) large trace change predicted (1.408e-07%) linmin: converged after 7 iterations. iteration 979: trace = 2.412629863010455 (1.40802e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.412629860052295 (1.22611e-07% change) linmin: converged after 3 iterations. iteration 981: trace = 2.412629859344464 (2.93386e-08% change) linmin: converged after 2 iterations. iteration 982: trace = 2.412629858880917 (1.92134e-08% change) linmin: converged after 2 iterations. iteration 983: trace = 2.412629858276113 (2.50682e-08% change) linmin: converged after 4 iterations. iteration 984: trace = 2.412629857509056 (3.17934e-08% change) linmin: converged after 4 iterations. iteration 985: trace = 2.412629857240155 (1.11455e-08% change) linmin: converged after 3 iterations. iteration 986: trace = 2.41262985674862 (2.03734e-08% change) linmin: converged after 3 iterations. iteration 987: trace = 2.412629855932325 (3.38342e-08% change) linmin: converged after 4 iterations. iteration 988: trace = 2.412629855594522 (1.40014e-08% change) large trace change predicted (5.93685e-08%) linmin: converged after 35 iterations. iteration 989: trace = 2.412629854162197 (5.93678e-08% change) linmin: converged after 20 iterations. iteration 990: trace = 2.41262985235914 (7.47341e-08% change) linmin: converged after 16 iterations. iteration 991: trace = 2.412629851534124 (3.41957e-08% change) large trace change predicted (1.23989e-07%) linmin: converged after 5 iterations. iteration 992: trace = 2.412629848542833 (1.23985e-07% change) linmin: converged after 13 iterations. iteration 993: trace = 2.412629847636045 (3.7585e-08% change) linmin: converged after 16 iterations. iteration 994: trace = 2.412629846375563 (5.22451e-08% change) linmin: converged after 4 iterations. iteration 995: trace = 2.412629843948068 (1.00616e-07% change) linmin: converged after 4 iterations. iteration 996: trace = 2.412629843607194 (1.41287e-08% change) large trace change predicted (6.7988e-08%) linmin: converged after 4 iterations. iteration 997: trace = 2.412629841966889 (6.79883e-08% change) linmin: converged after 6 iterations. iteration 998: trace = 2.412629841440538 (2.18165e-08% change) linmin: converged after 4 iterations. iteration 999: trace = 2.412629841193702 (1.0231e-08% change) large trace change predicted (3.12016e-08%) linmin: converged after 6 iterations. iteration 1000: trace = 2.412629840440918 (3.12018e-08% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.412629839886335 (2.29866e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.412629839727234 (6.59449e-09% change) large trace change predicted (3.22075e-08%) linmin: converged after 4 iterations. iteration 1003: trace = 2.412629838950178 (3.22079e-08% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.412629838660329 (1.20138e-08% change) linmin: converged after 14 iterations. iteration 1005: trace = 2.412629838191677 (1.94249e-08% change) linmin: converged after 16 iterations. iteration 1006: trace = 2.412629838007164 (7.64779e-09% change) large trace change predicted (3.11401e-08%) linmin: converged after 3 iterations. iteration 1007: trace = 2.412629837255847 (3.1141e-08% change) linmin: converged after 5 iterations. iteration 1008: trace = 2.412629837124343 (5.45064e-09% change) large trace change predicted (1.66649e-08%) linmin: converged after 3 iterations. iteration 1009: trace = 2.41262983672228 (1.66649e-08% change) linmin: converged after 13 iterations. iteration 1010: trace = 2.412629836093977 (2.60422e-08% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.412629835782059 (1.29286e-08% change) large trace change predicted (3.07177e-08%) linmin: converged after 19 iterations. iteration 1012: trace = 2.412629835040941 (3.07182e-08% change) linmin: converged after 5 iterations. iteration 1013: trace = 2.412629833664326 (5.70587e-08% change) linmin: converged after 31 iterations. iteration 1014: trace = 2.412629833299759 (1.51108e-08% change) large trace change predicted (8.95773e-08%) linmin: converged after 4 iterations. iteration 1015: trace = 2.412629831138368 (8.95865e-08% change) linmin: converged after 8 iterations. iteration 1016: trace = 2.412629830159918 (4.05553e-08% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.412629829514783 (2.67399e-08% change) large trace change predicted (6.01776e-08%) linmin: converged after 5 iterations. iteration 1018: trace = 2.412629828062851 (6.01804e-08% change) linmin: converged after 24 iterations. iteration 1019: trace = 2.412629826752136 (5.43272e-08% change) linmin: converged after 19 iterations. iteration 1020: trace = 2.412629826615537 (5.66184e-09% change) large trace change predicted (2.52403e-08%) linmin: converged after 8 iterations. iteration 1021: trace = 2.41262982600657 (2.52408e-08% change) linmin: converged after 10 iterations. iteration 1022: trace = 2.412629825573912 (1.79331e-08% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.41262982544609 (5.29803e-09% change) large trace change predicted (1.68311e-08%) linmin: converged after 4 iterations. iteration 1024: trace = 2.412629825040014 (1.68313e-08% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.412629824620993 (1.73678e-08% change) linmin: converged after 6 iterations. iteration 1026: trace = 2.412629824476852 (5.97444e-09% change) large trace change predicted (2.18839e-08%) linmin: converged after 3 iterations. iteration 1027: trace = 2.412629823948873 (2.18839e-08% change) linmin: converged after 22 iterations. iteration 1028: trace = 2.412629823857702 (3.77891e-09% change) linmin: converged after 4 iterations. iteration 1029: trace = 2.412629823697462 (6.64174e-09% change) large trace change predicted (1.82985e-08%) linmin: converged after 3 iterations. iteration 1030: trace = 2.41262982325599 (1.82984e-08% change) linmin: converged after 36 iterations. iteration 1031: trace = 2.412629823126512 (5.36668e-09% change) large trace change predicted (2.03961e-08%) linmin: converged after 3 iterations. iteration 1032: trace = 2.412629822634432 (2.0396e-08% change) linmin: converged after 21 iterations. iteration 1033: trace = 2.412629822112127 (2.16488e-08% change) linmin: converged after 3 iterations. iteration 1034: trace = 2.412629821927908 (7.6356e-09% change) large trace change predicted (3.34563e-08%) linmin: converged after 8 iterations. iteration 1035: trace = 2.412629821120743 (3.34558e-08% change) linmin: converged after 3 iterations. iteration 1036: trace = 2.412629820436516 (2.83602e-08% change) linmin: converged after 31 iterations. iteration 1037: trace = 2.412629820024577 (1.70743e-08% change) large trace change predicted (5.44343e-08%) linmin: converged after 5 iterations. iteration 1038: trace = 2.412629818711304 (5.44333e-08% change) linmin: converged after 6 iterations. iteration 1039: trace = 2.412629817677978 (4.28299e-08% change) linmin: converged after 7 iterations. iteration 1040: trace = 2.412629817059748 (2.56247e-08% change) linmin: converged after 5 iterations. iteration 1041: trace = 2.41262981609746 (3.98855e-08% change) linmin: converged after 9 iterations. iteration 1042: trace = 2.41262981570948 (1.60812e-08% change) linmin: converged after 16 iterations. iteration 1043: trace = 2.41262981556652 (5.92548e-09% change) large trace change predicted (2.34513e-08%) linmin: converged after 4 iterations. iteration 1044: trace = 2.412629815000735 (2.3451e-08% change) linmin: converged after 2 iterations. iteration 1045: trace = 2.412629814832913 (6.95597e-09% change) linmin: converged after 5 iterations. iteration 1046: trace = 2.412629814571759 (1.08245e-08% change) linmin: converged after 35 iterations. iteration 1047: trace = 2.412629814351824 (9.11599e-09% change) linmin: converged after 23 iterations. iteration 1048: trace = 2.412629814280324 (2.96358e-09% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.412629814141311 (5.76188e-09% change) resetting CG direction... linmin: converged after 12 iterations. iteration 1050: trace = 2.412629814011531 (5.37916e-09% change) linmin: converged after 25 iterations. iteration 1051: trace = 2.41262981394684 (2.68138e-09% change) large trace change predicted (9.09106e-09%) linmin: converged after 3 iterations. iteration 1052: trace = 2.412629813727504 (9.09116e-09% change) linmin: converged after 11 iterations. iteration 1053: trace = 2.412629813474037 (1.05058e-08% change) linmin: converged after 12 iterations. iteration 1054: trace = 2.412629813323608 (6.23508e-09% change) large trace change predicted (2.13059e-08%) linmin: converged after 29 iterations. iteration 1055: trace = 2.412629812809573 (2.1306e-08% change) linmin: converged after 4 iterations. iteration 1056: trace = 2.412629812661426 (6.14049e-09% change) large trace change predicted (1.23601e-08%) linmin: converged after 4 iterations. iteration 1057: trace = 2.412629812363224 (1.236e-08% change) large trace change predicted (3.90357e-08%) linmin: converged after 3 iterations. iteration 1058: trace = 2.41262981142143 (3.9036e-08% change) linmin: converged after 25 iterations. iteration 1059: trace = 2.412629810946882 (1.96693e-08% change) linmin: converged after 19 iterations. iteration 1060: trace = 2.412629810006206 (3.89896e-08% change) linmin: converged after 4 iterations. iteration 1061: trace = 2.412629809000206 (4.16972e-08% change) linmin: converged after 4 iterations. iteration 1062: trace = 2.412629808616698 (1.58959e-08% change) linmin: converged after 26 iterations. iteration 1063: trace = 2.4126298080259 (2.44877e-08% change) linmin: converged after 2 iterations. iteration 1064: trace = 2.412629807396376 (2.60929e-08% change) linmin: converged after 3 iterations. iteration 1065: trace = 2.41262980725605 (5.81631e-09% change) large trace change predicted (1.77826e-08%) linmin: converged after 4 iterations. iteration 1066: trace = 2.412629806827022 (1.77826e-08% change) linmin: converged after 23 iterations. iteration 1067: trace = 2.41262980650895 (1.31836e-08% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.41262980638918 (4.96427e-09% change) linmin: converged after 26 iterations. iteration 1069: trace = 2.412629806245564 (5.95267e-09% change) linmin: converged after 3 iterations. iteration 1070: trace = 2.412629806021013 (9.30735e-09% change) linmin: converged after 3 iterations. iteration 1071: trace = 2.412629805876823 (5.97643e-09% change) large trace change predicted (1.46939e-08%) linmin: converged after 27 iterations. iteration 1072: trace = 2.412629805522315 (1.46939e-08% change) linmin: converged after 4 iterations. iteration 1073: trace = 2.412629805419518 (4.26078e-09% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.412629805217475 (8.3744e-09% change) linmin: converged after 23 iterations. iteration 1075: trace = 2.412629804859759 (1.48268e-08% change) linmin: converged after 23 iterations. iteration 1076: trace = 2.41262980478039 (3.28971e-09% change) large trace change predicted (1.52698e-08%) linmin: converged after 4 iterations. iteration 1077: trace = 2.412629804411993 (1.52695e-08% change) linmin: converged after 4 iterations. iteration 1078: trace = 2.412629803835411 (2.38985e-08% change) linmin: converged after 6 iterations. iteration 1079: trace = 2.412629803550236 (1.18201e-08% change) large trace change predicted (2.64073e-08%) linmin: converged after 8 iterations. iteration 1080: trace = 2.412629802913144 (2.64065e-08% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.412629802405484 (2.10418e-08% change) linmin: converged after 20 iterations. iteration 1082: trace = 2.412629802054365 (1.45534e-08% change) large trace change predicted (4.85807e-08%) linmin: converged after 23 iterations. iteration 1083: trace = 2.412629800882364 (4.85777e-08% change) linmin: converged after 5 iterations. iteration 1084: trace = 2.412629799571856 (5.43187e-08% change) linmin: converged after 3 iterations. iteration 1085: trace = 2.412629799288416 (1.17482e-08% change) large trace change predicted (2.53772e-08%) linmin: converged after 4 iterations. iteration 1086: trace = 2.41262979867617 (2.53767e-08% change) linmin: converged after 6 iterations. iteration 1087: trace = 2.412629798155509 (2.15807e-08% change) linmin: converged after 3 iterations. iteration 1088: trace = 2.412629797977812 (7.36526e-09% change) large trace change predicted (1.71152e-08%) linmin: converged after 3 iterations. iteration 1089: trace = 2.412629797564891 (1.7115e-08% change) linmin: converged after 3 iterations. iteration 1090: trace = 2.412629797236036 (1.36306e-08% change) linmin: converged after 5 iterations. iteration 1091: trace = 2.412629797146127 (3.72658e-09% change) large trace change predicted (1.66429e-08%) linmin: converged after 8 iterations. iteration 1092: trace = 2.412629796744604 (1.66426e-08% change) linmin: converged after 16 iterations. iteration 1093: trace = 2.412629796597781 (6.08562e-09% change) linmin: converged after 9 iterations. iteration 1094: trace = 2.412629796528624 (2.86644e-09% change) large trace change predicted (1.32146e-08%) linmin: converged after 4 iterations. iteration 1095: trace = 2.412629796209809 (1.32144e-08% change) linmin: converged after 13 iterations. iteration 1096: trace = 2.412629796050501 (6.60307e-09% change) large trace change predicted (1.37413e-08%) linmin: converged after 3 iterations. iteration 1097: trace = 2.412629795718977 (1.37412e-08% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.412629795455784 (1.0909e-08% change) linmin: converged after 5 iterations. iteration 1099: trace = 2.412629795325347 (5.40642e-09% change) large trace change predicted (1.40822e-08%) linmin: converged after 3 iterations. iteration 1100: trace = 2.412629794985595 (1.40822e-08% change) linmin: converged after 4 iterations. iteration 1101: trace = 2.412629794618395 (1.52199e-08% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.412629794427571 (7.90941e-09% change) large trace change predicted (3.37841e-08%) linmin: converged after 3 iterations. iteration 1103: trace = 2.412629793612483 (3.37842e-08% change) linmin: converged after 8 iterations. iteration 1104: trace = 2.412629792683634 (3.84995e-08% change) linmin: converged after 4 iterations. iteration 1105: trace = 2.412629792271863 (1.70673e-08% change) linmin: converged after 4 iterations. iteration 1106: trace = 2.412629791561477 (2.94445e-08% change) linmin: converged after 16 iterations. iteration 1107: trace = 2.412629790214044 (5.58491e-08% change) linmin: converged after 7 iterations. iteration 1108: trace = 2.412629789960863 (1.0494e-08% change) large trace change predicted (3.90288e-08%) linmin: converged after 16 iterations. iteration 1109: trace = 2.412629789019225 (3.90295e-08% change) linmin: converged after 4 iterations. iteration 1110: trace = 2.412629788842335 (7.33182e-09% change) large trace change predicted (2.1421e-08%) linmin: converged after 9 iterations. iteration 1111: trace = 2.412629788325511 (2.14216e-08% change) linmin: converged after 3 iterations. iteration 1112: trace = 2.412629788037764 (1.19267e-08% change) linmin: converged after 3 iterations. iteration 1113: trace = 2.412629787803015 (9.73003e-09% change) linmin: converged after 23 iterations. iteration 1114: trace = 2.412629787699538 (4.28898e-09% change) large trace change predicted (1.3443e-08%) linmin: converged after 3 iterations. iteration 1115: trace = 2.412629787375206 (1.34431e-08% change) linmin: converged after 21 iterations. iteration 1116: trace = 2.412629787276294 (4.09974e-09% change) large trace change predicted (1.2001e-08%) linmin: converged after 24 iterations. iteration 1117: trace = 2.412629786986755 (1.2001e-08% change) linmin: converged after 4 iterations. iteration 1118: trace = 2.412629786748777 (9.86386e-09% change) linmin: converged after 3 iterations. iteration 1119: trace = 2.412629786292433 (1.89148e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1120: trace = 2.412629785848988 (1.83802e-08% change) linmin: converged after 3 iterations. iteration 1121: trace = 2.412629785623657 (9.33966e-09% change) linmin: converged after 10 iterations. iteration 1122: trace = 2.412629785396949 (9.39672e-09% change) linmin: converged after 3 iterations. iteration 1123: trace = 2.412629785252847 (5.9728e-09% change) linmin: converged after 3 iterations. iteration 1124: trace = 2.412629784965543 (1.19083e-08% change) linmin: converged after 6 iterations. iteration 1125: trace = 2.412629784894571 (2.94171e-09% change) large trace change predicted (8.94799e-09%) linmin: converged after 3 iterations. iteration 1126: trace = 2.412629784678686 (8.9481e-09% change) linmin: converged after 3 iterations. iteration 1127: trace = 2.412629784418998 (1.07637e-08% change) linmin: converged after 41 iterations. iteration 1128: trace = 2.412629784294783 (5.14854e-09% change) large trace change predicted (2.05222e-08%) linmin: converged after 7 iterations. iteration 1129: trace = 2.412629783799666 (2.05219e-08% change) linmin: converged after 4 iterations. iteration 1130: trace = 2.412629783217858 (2.41151e-08% change) linmin: converged after 5 iterations. iteration 1131: trace = 2.412629782905474 (1.29479e-08% change) large trace change predicted (3.93323e-08%) linmin: converged after 15 iterations. iteration 1132: trace = 2.412629781956552 (3.93314e-08% change) linmin: converged after 10 iterations. iteration 1133: trace = 2.4126297814223 (2.2144e-08% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.412629781139761 (1.17108e-08% change) large trace change predicted (3.70881e-08%) linmin: converged after 34 iterations. iteration 1135: trace = 2.412629780244971 (3.70877e-08% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.412629779825604 (1.73822e-08% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.412629779584773 (9.98207e-09% change) linmin: converged after 2 iterations. iteration 1138: trace = 2.412629779380671 (8.45973e-09% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.412629779150927 (9.52255e-09% change) linmin: converged after 4 iterations. iteration 1140: trace = 2.412629779034004 (4.8463e-09% change) linmin: converged after 13 iterations. iteration 1141: trace = 2.412629778809317 (9.31293e-09% change) linmin: converged after 3 iterations. iteration 1142: trace = 2.412629778738212 (2.94723e-09% change) large trace change predicted (9.6957e-09%) linmin: converged after 3 iterations. iteration 1143: trace = 2.41262977850429 (9.69572e-09% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.412629778404162 (4.15014e-09% change) linmin: converged after 3 iterations. iteration 1145: trace = 2.412629778242337 (6.70742e-09% change) linmin: converged after 14 iterations. iteration 1146: trace = 2.412629778178061 (2.66417e-09% change) large trace change predicted (1.13094e-08%) linmin: converged after 25 iterations. iteration 1147: trace = 2.4126297779052 (1.13097e-08% change) linmin: converged after 3 iterations. iteration 1148: trace = 2.412629777850719 (2.25815e-09% change) large trace change predicted (5.19724e-09%) linmin: converged after 4 iterations. iteration 1149: trace = 2.412629777725329 (5.19723e-09% change) linmin: converged after 15 iterations. iteration 1150: trace = 2.412629777488554 (9.81398e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.412629777262293 (9.37822e-09% change) linmin: converged after 13 iterations. iteration 1152: trace = 2.412629777117201 (6.01385e-09% change) large trace change predicted (1.93871e-08%) linmin: converged after 6 iterations. iteration 1153: trace = 2.412629776649447 (1.93877e-08% change) linmin: converged after 28 iterations. iteration 1154: trace = 2.412629776527586 (5.05097e-09% change) large trace change predicted (3.11949e-08%) linmin: converged after 25 iterations. iteration 1155: trace = 2.412629775774925 (3.11967e-08% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.412629775365852 (1.69555e-08% change) linmin: converged after 4 iterations. iteration 1157: trace = 2.412629774918892 (1.85259e-08% change) linmin: converged after 4 iterations. iteration 1158: trace = 2.412629774657288 (1.08431e-08% change) linmin: converged after 3 iterations. iteration 1159: trace = 2.412629774194538 (1.91803e-08% change) linmin: converged after 23 iterations. iteration 1160: trace = 2.412629774146317 (1.99871e-09% change) large trace change predicted (8.86743e-09%) linmin: converged after 12 iterations. iteration 1161: trace = 2.412629773932376 (8.86752e-09% change) linmin: converged after 33 iterations. iteration 1162: trace = 2.412629773774357 (6.54969e-09% change) linmin: converged after 3 iterations. iteration 1163: trace = 2.412629773728515 (1.90007e-09% change) large trace change predicted (5.67544e-09%) linmin: converged after 4 iterations. iteration 1164: trace = 2.41262977359159 (5.67535e-09% change) linmin: converged after 5 iterations. iteration 1165: trace = 2.412629773436491 (6.42861e-09% change) linmin: converged after 7 iterations. iteration 1166: trace = 2.412629773390932 (1.88836e-09% change) large trace change predicted (7.66799e-09%) linmin: converged after 3 iterations. iteration 1167: trace = 2.412629773205932 (7.668e-09% change) linmin: converged after 19 iterations. iteration 1168: trace = 2.412629773149117 (2.3549e-09% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.412629773119786 (1.2157e-09% change) large trace change predicted (6.37928e-09%) linmin: converged after 4 iterations. iteration 1170: trace = 2.412629772965878 (6.37926e-09% change) linmin: converged after 26 iterations. iteration 1171: trace = 2.412629772928143 (1.56407e-09% change) large trace change predicted (7.14913e-09%) linmin: converged after 19 iterations. iteration 1172: trace = 2.412629772755665 (7.14898e-09% change) linmin: converged after 5 iterations. iteration 1173: trace = 2.412629772634329 (5.02918e-09% change) linmin: converged after 5 iterations. iteration 1174: trace = 2.412629772553549 (3.34822e-09% change) large trace change predicted (8.31988e-09%) linmin: converged after 6 iterations. iteration 1175: trace = 2.412629772352822 (8.31984e-09% change) linmin: converged after 4 iterations. iteration 1176: trace = 2.412629772014664 (1.40162e-08% change) linmin: converged after 26 iterations. iteration 1177: trace = 2.412629771917082 (4.04465e-09% change) large trace change predicted (2.20423e-08%) linmin: converged after 4 iterations. iteration 1178: trace = 2.412629771385287 (2.20421e-08% change) linmin: converged after 26 iterations. iteration 1179: trace = 2.412629771082309 (1.2558e-08% change) linmin: converged after 2 iterations. iteration 1180: trace = 2.412629770824299 (1.06941e-08% change) linmin: converged after 3 iterations. iteration 1181: trace = 2.412629770583826 (9.96722e-09% change) linmin: converged after 2 iterations. iteration 1182: trace = 2.412629770466926 (4.84536e-09% change) linmin: converged after 7 iterations. iteration 1183: trace = 2.412629770326081 (5.83781e-09% change) linmin: converged after 18 iterations. iteration 1184: trace = 2.412629770093298 (9.64852e-09% change) linmin: converged after 4 iterations. iteration 1185: trace = 2.412629770026122 (2.78435e-09% change) linmin: converged after 3 iterations. iteration 1186: trace = 2.412629769941639 (3.50168e-09% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.412629769861093 (3.33854e-09% change) linmin: converged after 3 iterations. iteration 1188: trace = 2.412629769830064 (1.28607e-09% change) linmin: converged after 2 iterations. iteration 1189: trace = 2.412629769788242 (1.73347e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.412629769748404 (1.65126e-09% change) linmin: converged after 3 iterations. iteration 1191: trace = 2.412629769719834 (1.18415e-09% change) large trace change predicted (3.31441e-09%) linmin: converged after 19 iterations. iteration 1192: trace = 2.41262976963987 (3.31439e-09% change) linmin: converged after 2 iterations. iteration 1193: trace = 2.412629769587001 (2.19137e-09% change) linmin: converged after 20 iterations. iteration 1194: trace = 2.412629769497466 (3.71108e-09% change) linmin: converged after 5 iterations. iteration 1195: trace = 2.412629769344929 (6.32244e-09% change) linmin: converged after 19 iterations. iteration 1196: trace = 2.412629769274844 (2.90493e-09% change) linmin: converged after 4 iterations. iteration 1197: trace = 2.412629769167316 (4.45685e-09% change) large trace change predicted (1.20284e-08%) linmin: converged after 4 iterations. iteration 1198: trace = 2.412629768877114 (1.20285e-08% change) linmin: converged after 6 iterations. iteration 1199: trace = 2.412629768796037 (3.36054e-09% change) large trace change predicted (1.92599e-08%) linmin: converged after 13 iterations. iteration 1200: trace = 2.412629768331363 (1.926e-08% change) linmin: converged after 25 iterations. iteration 1201: trace = 2.41262976801378 (1.31634e-08% change) linmin: converged after 18 iterations. iteration 1202: trace = 2.41262976784906 (6.8274e-09% change) linmin: converged after 3 iterations. iteration 1203: trace = 2.412629767635065 (8.86977e-09% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.412629767491865 (5.93546e-09% change) linmin: converged after 3 iterations. iteration 1205: trace = 2.412629767384182 (4.46328e-09% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.412629767223459 (6.66173e-09% change) linmin: converged after 3 iterations. iteration 1207: trace = 2.412629767172048 (2.13094e-09% change) large trace change predicted (4.28805e-09%) linmin: converged after 25 iterations. iteration 1208: trace = 2.412629767068592 (4.2881e-09% change) linmin: converged after 6 iterations. iteration 1209: trace = 2.412629767018007 (2.09665e-09% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.412629766926253 (3.80308e-09% change) linmin: converged after 15 iterations. iteration 1211: trace = 2.412629766896727 (1.2238e-09% change) large trace change predicted (5.36684e-09%) linmin: converged after 24 iterations. iteration 1212: trace = 2.412629766767248 (5.36674e-09% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.412629766734905 (1.34057e-09% change) large trace change predicted (2.70327e-09%) linmin: converged after 4 iterations. iteration 1214: trace = 2.412629766669687 (2.70319e-09% change) large trace change predicted (5.64749e-09%) linmin: converged after 9 iterations. iteration 1215: trace = 2.412629766533433 (5.64754e-09% change) linmin: converged after 2 iterations. iteration 1216: trace = 2.412629766508651 (1.02718e-09% change) large trace change predicted (5.54056e-09%) linmin: converged after 4 iterations. iteration 1217: trace = 2.412629766374981 (5.54043e-09% change) linmin: converged after 4 iterations. iteration 1218: trace = 2.412629766231579 (5.94381e-09% change) linmin: converged after 24 iterations. iteration 1219: trace = 2.412629766176944 (2.26454e-09% change) large trace change predicted (5.33296e-09%) linmin: converged after 3 iterations. iteration 1220: trace = 2.412629766048279 (5.33294e-09% change) large trace change predicted (1.31523e-08%) linmin: converged after 3 iterations. iteration 1221: trace = 2.412629765730969 (1.3152e-08% change) linmin: converged after 4 iterations. iteration 1222: trace = 2.412629765492582 (9.8808e-09% change) linmin: converged after 38 iterations. iteration 1223: trace = 2.412629765145416 (1.43895e-08% change) linmin: converged after 4 iterations. iteration 1224: trace = 2.412629764765214 (1.57588e-08% change) linmin: converged after 14 iterations. iteration 1225: trace = 2.412629764609337 (6.4609e-09% change) linmin: converged after 3 iterations. iteration 1226: trace = 2.412629764394798 (8.89231e-09% change) linmin: converged after 9 iterations. iteration 1227: trace = 2.412629764162322 (9.63578e-09% change) linmin: converged after 4 iterations. iteration 1228: trace = 2.412629764020966 (5.85899e-09% change) linmin: converged after 5 iterations. iteration 1229: trace = 2.412629763948705 (2.99514e-09% change) linmin: converged after 19 iterations. iteration 1230: trace = 2.412629763820925 (5.2963e-09% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.412629763746147 (3.09942e-09% change) linmin: converged after 13 iterations. iteration 1232: trace = 2.412629763688642 (2.3835e-09% change) linmin: converged after 6 iterations. iteration 1233: trace = 2.412629763615511 (3.03117e-09% change) linmin: converged after 6 iterations. iteration 1234: trace = 2.412629763533967 (3.3799e-09% change) linmin: converged after 4 iterations. iteration 1235: trace = 2.412629763483325 (2.09901e-09% change) large trace change predicted (6.53479e-09%) linmin: converged after 3 iterations. iteration 1236: trace = 2.412629763325664 (6.53484e-09% change) linmin: converged after 33 iterations. iteration 1237: trace = 2.412629763303096 (9.35399e-10% change) large trace change predicted (4.50275e-09%) linmin: converged after 22 iterations. iteration 1238: trace = 2.412629763194457 (4.50292e-09% change) linmin: converged after 7 iterations. iteration 1239: trace = 2.412629763082278 (4.64968e-09% change) linmin: converged after 26 iterations. iteration 1240: trace = 2.412629763036044 (1.9163e-09% change) large trace change predicted (4.92078e-09%) linmin: converged after 18 iterations. iteration 1241: trace = 2.412629762917325 (4.92076e-09% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.412629762682696 (9.725e-09% change) linmin: converged after 10 iterations. iteration 1243: trace = 2.412629762592304 (3.74664e-09% change) large trace change predicted (1.75923e-08%) linmin: converged after 8 iterations. iteration 1244: trace = 2.412629762167861 (1.75925e-08% change) linmin: converged after 3 iterations. iteration 1245: trace = 2.4126297620757 (3.81996e-09% change) large trace change predicted (9.87021e-09%) linmin: converged after 4 iterations. iteration 1246: trace = 2.412629761837568 (9.87023e-09% change) large trace change predicted (2.09998e-08%) linmin: converged after 31 iterations. iteration 1247: trace = 2.412629761330913 (2.10001e-08% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.412629761106383 (9.30643e-09% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.412629760964092 (5.89778e-09% change) linmin: converged after 26 iterations. iteration 1250: trace = 2.412629760743328 (9.15032e-09% change) linmin: converged after 16 iterations. iteration 1251: trace = 2.412629760697433 (1.90227e-09% change) linmin: converged after 32 iterations. iteration 1252: trace = 2.412629760613019 (3.49887e-09% change) linmin: converged after 7 iterations. iteration 1253: trace = 2.41262976052164 (3.78752e-09% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.412629760448013 (3.05171e-09% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.412629760396692 (2.12719e-09% change) large trace change predicted (5.52559e-09%) linmin: converged after 20 iterations. iteration 1256: trace = 2.412629760263379 (5.52565e-09% change) linmin: converged after 3 iterations. iteration 1257: trace = 2.412629760231685 (1.31368e-09% change) large trace change predicted (7.23674e-09%) linmin: converged after 20 iterations. iteration 1258: trace = 2.412629760057085 (7.23691e-09% change) large trace change predicted (1.10329e-07%) linmin: converged after 4 iterations. iteration 1259: trace = 2.412629757394972 (1.10341e-07% change) resetting CG direction... linmin: converged after 31 iterations. iteration 1260: trace = 2.412629756145485 (5.17894e-08% change) linmin: converged after 3 iterations. iteration 1261: trace = 2.412629755522189 (2.58347e-08% change) linmin: converged after 4 iterations. iteration 1262: trace = 2.412629755420031 (4.23429e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.412629755311408 (4.50228e-09% change) linmin: converged after 31 iterations. iteration 1264: trace = 2.412629755139941 (7.10707e-09% change) linmin: converged after 2 iterations. iteration 1265: trace = 2.412629755127741 (5.05673e-10% change) large trace change predicted (4.14563e-09%) linmin: converged after 2 iterations. iteration 1266: trace = 2.412629755027722 (4.14565e-09% change) linmin: converged after 28 iterations. iteration 1267: trace = 2.412629754993594 (1.41453e-09% change) linmin: converged after 7 iterations. iteration 1268: trace = 2.412629754977538 (6.655e-10% change) large trace change predicted (3.01768e-09%) linmin: converged after 3 iterations. iteration 1269: trace = 2.412629754904733 (3.01767e-09% change) linmin: converged after 26 iterations. iteration 1270: trace = 2.412629754855381 (2.04555e-09% change) linmin: converged after 8 iterations. iteration 1271: trace = 2.412629754793346 (2.57125e-09% change) large trace change predicted (6.44622e-09%) linmin: converged after 6 iterations. iteration 1272: trace = 2.412629754637826 (6.4461e-09% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.412629754580816 (2.36298e-09% change) linmin: converged after 4 iterations. iteration 1274: trace = 2.412629754519073 (2.55914e-09% change) large trace change predicted (6.61425e-09%) linmin: converged after 18 iterations. iteration 1275: trace = 2.412629754359497 (6.61423e-09% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.412629754255988 (4.29027e-09% change) linmin: converged after 3 iterations. iteration 1277: trace = 2.412629754117463 (5.74165e-09% change) linmin: converged after 3 iterations. iteration 1278: trace = 2.412629753994368 (5.10212e-09% change) linmin: converged after 6 iterations. iteration 1279: trace = 2.412629753928176 (2.74358e-09% change) linmin: converged after 3 iterations. iteration 1280: trace = 2.41262975382433 (4.30426e-09% change) linmin: converged after 2 iterations. iteration 1281: trace = 2.412629753688581 (5.62661e-09% change) linmin: converged after 16 iterations. iteration 1282: trace = 2.412629753664304 (1.00625e-09% change) large trace change predicted (3.85085e-09%) linmin: converged after 15 iterations. iteration 1283: trace = 2.412629753571395 (3.85093e-09% change) linmin: converged after 4 iterations. iteration 1284: trace = 2.41262975351645 (2.27739e-09% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.412629753499298 (7.10909e-10% change) linmin: converged after 15 iterations. iteration 1286: trace = 2.41262975346662 (1.35449e-09% change) linmin: converged after 3 iterations. iteration 1287: trace = 2.412629753416082 (2.0947e-09% change) linmin: converged after 4 iterations. iteration 1288: trace = 2.412629753405603 (4.34347e-10% change) large trace change predicted (1.54026e-09%) linmin: converged after 18 iterations. iteration 1289: trace = 2.412629753368441 (1.54032e-09% change) linmin: converged after 3 iterations. iteration 1290: trace = 2.412629753361718 (2.78661e-10% change) large trace change predicted (9.30624e-10%) linmin: converged after 13 iterations. iteration 1291: trace = 2.412629753339264 (9.30687e-10% change) large trace change predicted (2.39756e-09%) linmin: converged after 5 iterations. iteration 1292: trace = 2.412629753281419 (2.39758e-09% change) linmin: converged after 13 iterations. iteration 1293: trace = 2.412629753266869 (6.03064e-10% change) large trace change predicted (4.52078e-09%) linmin: converged after 4 iterations. iteration 1294: trace = 2.4126297531578 (4.52076e-09% change) linmin: converged after 6 iterations. iteration 1295: trace = 2.412629753018132 (5.78903e-09% change) linmin: converged after 3 iterations. iteration 1296: trace = 2.412629752936917 (3.36625e-09% change) linmin: converged after 5 iterations. iteration 1297: trace = 2.412629752886115 (2.10567e-09% change) large trace change predicted (5.0815e-09%) linmin: converged after 30 iterations. iteration 1298: trace = 2.412629752763515 (5.0816e-09% change) linmin: converged after 8 iterations. iteration 1299: trace = 2.412629752690727 (3.01698e-09% change) linmin: converged after 38 iterations. iteration 1300: trace = 2.412629752592583 (4.0679e-09% change) linmin: converged after 18 iterations. iteration 1301: trace = 2.412629752489281 (4.28173e-09% change) linmin: converged after 4 iterations. iteration 1302: trace = 2.412629752471359 (7.42845e-10% change) large trace change predicted (2.44872e-09%) linmin: converged after 28 iterations. iteration 1303: trace = 2.41262975241228 (2.44876e-09% change) linmin: converged after 4 iterations. iteration 1304: trace = 2.412629752376628 (1.4777e-09% change) linmin: converged after 3 iterations. iteration 1305: trace = 2.412629752357191 (8.0565e-10% change) large trace change predicted (2.63898e-09%) linmin: converged after 9 iterations. iteration 1306: trace = 2.412629752293523 (2.63894e-09% change) linmin: converged after 23 iterations. iteration 1307: trace = 2.412629752241498 (2.15634e-09% change) linmin: converged after 2 iterations. iteration 1308: trace = 2.412629752229971 (4.77805e-10% change) large trace change predicted (1.61003e-09%) linmin: converged after 18 iterations. iteration 1309: trace = 2.412629752191125 (1.61008e-09% change) linmin: converged after 2 iterations. iteration 1310: trace = 2.412629752176672 (5.99069e-10% change) linmin: converged after 12 iterations. iteration 1311: trace = 2.412629752167809 (3.67346e-10% change) linmin: converged after 19 iterations. iteration 1312: trace = 2.41262975215146 (6.77648e-10% change) linmin: converged after 5 iterations. iteration 1313: trace = 2.412629752119543 (1.32294e-09% change) linmin: converged after 17 iterations. iteration 1314: trace = 2.412629752104291 (6.32147e-10% change) large trace change predicted (2.22953e-09%) linmin: converged after 10 iterations. iteration 1315: trace = 2.412629752050501 (2.22953e-09% change) linmin: converged after 4 iterations. iteration 1316: trace = 2.41262975203415 (6.77704e-10% change) large trace change predicted (1.73052e-09%) linmin: converged after 4 iterations. iteration 1317: trace = 2.412629751992398 (1.73058e-09% change) large trace change predicted (3.80022e-09%) linmin: converged after 6 iterations. iteration 1318: trace = 2.412629751900716 (3.80009e-09% change) linmin: converged after 4 iterations. iteration 1319: trace = 2.412629751855262 (1.88398e-09% change) linmin: converged after 19 iterations. iteration 1320: trace = 2.412629751800265 (2.27956e-09% change) large trace change predicted (5.32944e-09%) linmin: converged after 21 iterations. iteration 1321: trace = 2.412629751671685 (5.32946e-09% change) linmin: converged after 8 iterations. iteration 1322: trace = 2.412629751644616 (1.12197e-09% change) linmin: converged after 10 iterations. iteration 1323: trace = 2.412629751601681 (1.77959e-09% change) linmin: converged after 4 iterations. iteration 1324: trace = 2.412629751544592 (2.36626e-09% change) linmin: converged after 12 iterations. iteration 1325: trace = 2.412629751534512 (4.17799e-10% change) large trace change predicted (2.02914e-09%) linmin: converged after 18 iterations. iteration 1326: trace = 2.412629751485556 (2.02913e-09% change) linmin: converged after 12 iterations. iteration 1327: trace = 2.412629751472368 (5.46647e-10% change) linmin: converged after 4 iterations. iteration 1328: trace = 2.412629751465104 (3.01062e-10% change) linmin: converged after 16 iterations. iteration 1329: trace = 2.412629751451304 (5.71993e-10% change) resetting CG direction... linmin: converged after 19 iterations. iteration 1330: trace = 2.412629751441995 (3.85844e-10% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.412629751436322 (2.35148e-10% change) large trace change predicted (4.92008e-10%) linmin: converged after 2 iterations. iteration 1332: trace = 2.41262975142445 (4.92089e-10% change) linmin: converged after 16 iterations. iteration 1333: trace = 2.412629751400893 (9.76392e-10% change) linmin: converged after 10 iterations. iteration 1334: trace = 2.412629751383613 (7.16247e-10% change) large trace change predicted (1.82443e-09%) linmin: converged after 13 iterations. iteration 1335: trace = 2.412629751339598 (1.82434e-09% change) linmin: converged after 6 iterations. iteration 1336: trace = 2.412629751322894 (6.92374e-10% change) large trace change predicted (2.07471e-09%) linmin: converged after 13 iterations. iteration 1337: trace = 2.412629751272838 (2.07475e-09% change) linmin: converged after 14 iterations. iteration 1338: trace = 2.412629751200171 (3.01191e-09% change) linmin: converged after 6 iterations. iteration 1339: trace = 2.412629751172607 (1.14251e-09% change) large trace change predicted (3.35386e-09%) linmin: converged after 11 iterations. iteration 1340: trace = 2.412629751091689 (3.35393e-09% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.412629751009129 (3.42196e-09% change) linmin: converged after 4 iterations. iteration 1342: trace = 2.412629750989969 (7.94182e-10% change) linmin: converged after 4 iterations. iteration 1343: trace = 2.412629750956418 (1.39062e-09% change) linmin: converged after 2 iterations. iteration 1344: trace = 2.412629750895868 (2.50974e-09% change) linmin: converged after 10 iterations. iteration 1345: trace = 2.412629750889071 (2.81717e-10% change) large trace change predicted (1.4371e-09%) linmin: converged after 4 iterations. iteration 1346: trace = 2.412629750854401 (1.43702e-09% change) linmin: converged after 7 iterations. iteration 1347: trace = 2.412629750839396 (6.21912e-10% change) linmin: converged after 3 iterations. iteration 1348: trace = 2.412629750832454 (2.87736e-10% change) linmin: converged after 4 iterations. iteration 1349: trace = 2.412629750819 (5.57672e-10% change) linmin: converged after 5 iterations. iteration 1350: trace = 2.412629750804569 (5.98131e-10% change) linmin: converged after 8 iterations. iteration 1351: trace = 2.412629750799901 (1.93474e-10% change) large trace change predicted (1.77238e-09%) linmin: converged after 17 iterations. iteration 1352: trace = 2.412629750757146 (1.77216e-09% change) linmin: converged after 12 iterations. iteration 1353: trace = 2.412629750720045 (1.53778e-09% change) linmin: converged after 6 iterations. iteration 1354: trace = 2.412629750702059 (7.45478e-10% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.412629750682192 (8.23467e-10% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.412629750651361 (1.27788e-09% change) linmin: converged after 9 iterations. iteration 1357: trace = 2.412629750630569 (8.61827e-10% change) large trace change predicted (2.62029e-09%) linmin: converged after 5 iterations. iteration 1358: trace = 2.412629750567349 (2.62036e-09% change) linmin: converged after 4 iterations. iteration 1359: trace = 2.412629750549673 (7.32648e-10% change) large trace change predicted (3.17057e-09%) linmin: converged after 4 iterations. iteration 1360: trace = 2.412629750473182 (3.17045e-09% change) linmin: converged after 19 iterations. iteration 1361: trace = 2.412629750403901 (2.87158e-09% change) linmin: converged after 21 iterations. iteration 1362: trace = 2.412629750312024 (3.80818e-09% change) linmin: converged after 26 iterations. iteration 1363: trace = 2.412629750243348 (2.84651e-09% change) linmin: converged after 15 iterations. iteration 1364: trace = 2.412629750215733 (1.14459e-09% change) large trace change predicted (2.99681e-09%) linmin: converged after 4 iterations. iteration 1365: trace = 2.412629750143431 (2.99682e-09% change) linmin: converged after 3 iterations. iteration 1366: trace = 2.412629750113363 (1.24629e-09% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.412629750103837 (3.94845e-10% change) large trace change predicted (1.79753e-09%) linmin: converged after 23 iterations. iteration 1368: trace = 2.412629750060469 (1.79754e-09% change) linmin: converged after 6 iterations. iteration 1369: trace = 2.412629750048949 (4.77474e-10% change) linmin: converged after 25 iterations. iteration 1370: trace = 2.412629750032419 (6.85158e-10% change) linmin: converged after 15 iterations. iteration 1371: trace = 2.412629750011623 (8.61956e-10% change) linmin: converged after 14 iterations. iteration 1372: trace = 2.412629750004998 (2.74575e-10% change) large trace change predicted (1.2595e-09%) linmin: converged after 7 iterations. iteration 1373: trace = 2.412629749974613 (1.25945e-09% change) linmin: converged after 2 iterations. iteration 1374: trace = 2.412629749959753 (6.15893e-10% change) linmin: converged after 12 iterations. iteration 1375: trace = 2.412629749952411 (3.04339e-10% change) large trace change predicted (1.64146e-09%) linmin: converged after 12 iterations. iteration 1376: trace = 2.412629749912809 (1.64143e-09% change) linmin: converged after 17 iterations. iteration 1377: trace = 2.412629749904083 (3.61695e-10% change) large trace change predicted (1.53902e-09%) linmin: converged after 5 iterations. iteration 1378: trace = 2.412629749866952 (1.539e-09% change) linmin: converged after 6 iterations. iteration 1379: trace = 2.412629749838286 (1.1882e-09% change) large trace change predicted (2.73749e-09%) linmin: converged after 21 iterations. iteration 1380: trace = 2.412629749772243 (2.73738e-09% change) linmin: converged after 5 iterations. iteration 1381: trace = 2.412629749756631 (6.47075e-10% change) large trace change predicted (3.6325e-09%) linmin: converged after 17 iterations. iteration 1382: trace = 2.41262974966899 (3.63259e-09% change) linmin: converged after 5 iterations. iteration 1383: trace = 2.412629749612043 (2.36038e-09% change) linmin: converged after 4 iterations. iteration 1384: trace = 2.412629749557288 (2.26951e-09% change) linmin: converged after 26 iterations. iteration 1385: trace = 2.412629749493279 (2.65309e-09% change) linmin: converged after 20 iterations. iteration 1386: trace = 2.412629749454938 (1.58919e-09% change) linmin: converged after 10 iterations. iteration 1387: trace = 2.412629749408137 (1.93982e-09% change) linmin: converged after 6 iterations. iteration 1388: trace = 2.412629749327676 (3.33499e-09% change) linmin: converged after 5 iterations. iteration 1389: trace = 2.412629749311012 (6.9068e-10% change) linmin: converged after 7 iterations. iteration 1390: trace = 2.41262974928682 (1.00273e-09% change) linmin: converged after 4 iterations. iteration 1391: trace = 2.412629749274504 (5.10496e-10% change) linmin: converged after 4 iterations. iteration 1392: trace = 2.412629749259505 (6.21655e-10% change) linmin: converged after 18 iterations. iteration 1393: trace = 2.412629749239148 (8.43807e-10% change) linmin: converged after 3 iterations. iteration 1394: trace = 2.412629749215643 (9.7422e-10% change) linmin: converged after 4 iterations. iteration 1395: trace = 2.412629749206566 (3.76254e-10% change) large trace change predicted (2.26574e-09%) linmin: converged after 2 iterations. iteration 1396: trace = 2.412629749151904 (2.26564e-09% change) large trace change predicted (1.16568e-08%) linmin: converged after 4 iterations. iteration 1397: trace = 2.412629748870666 (1.16569e-08% change) linmin: converged after 4 iterations. iteration 1398: trace = 2.412629748756963 (4.71284e-09% change) large trace change predicted (3.40752e-08%) linmin: converged after 4 iterations. iteration 1399: trace = 2.41262974793485 (3.40754e-08% change) resetting CG direction... linmin: converged after 13 iterations. iteration 1400: trace = 2.412629747609123 (1.35009e-08% change) linmin: converged after 4 iterations. iteration 1401: trace = 2.412629747566691 (1.75876e-09% change) large trace change predicted (6.23889e-09%) linmin: converged after 3 iterations. iteration 1402: trace = 2.412629747416172 (6.23876e-09% change) linmin: converged after 2 iterations. iteration 1403: trace = 2.412629747346273 (2.89724e-09% change) linmin: converged after 2 iterations. iteration 1404: trace = 2.412629747312993 (1.37941e-09% change) linmin: converged after 6 iterations. iteration 1405: trace = 2.412629747282349 (1.27013e-09% change) linmin: converged after 4 iterations. iteration 1406: trace = 2.412629747241782 (1.68147e-09% change) linmin: converged after 2 iterations. iteration 1407: trace = 2.412629747230548 (4.65638e-10% change) large trace change predicted (1.42629e-09%) linmin: converged after 3 iterations. iteration 1408: trace = 2.412629747196136 (1.42631e-09% change) linmin: converged after 4 iterations. iteration 1409: trace = 2.412629747184705 (4.73811e-10% change) linmin: converged after 12 iterations. iteration 1410: trace = 2.412629747166181 (7.67768e-10% change) linmin: converged after 7 iterations. iteration 1411: trace = 2.412629747155916 (4.25474e-10% change) linmin: converged after 3 iterations. iteration 1412: trace = 2.412629747150669 (2.17495e-10% change) linmin: converged after 3 iterations. iteration 1413: trace = 2.412629747144602 (2.51456e-10% change) linmin: converged after 8 iterations. iteration 1414: trace = 2.412629747134135 (4.3385e-10% change) linmin: converged after 6 iterations. iteration 1415: trace = 2.412629747130711 (1.41898e-10% change) large trace change predicted (6.10392e-10%) linmin: converged after 3 iterations. iteration 1416: trace = 2.412629747115985 (6.10371e-10% change) linmin: converged after 14 iterations. iteration 1417: trace = 2.412629747103849 (5.03022e-10% change) linmin: converged after 7 iterations. iteration 1418: trace = 2.412629747096434 (3.07376e-10% change) large trace change predicted (9.03859e-10%) linmin: converged after 15 iterations. iteration 1419: trace = 2.412629747074628 (9.03795e-10% change) linmin: converged after 4 iterations. iteration 1420: trace = 2.412629747044051 (1.26739e-09% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.412629747036468 (3.14315e-10% change) large trace change predicted (1.66292e-09%) linmin: converged after 10 iterations. iteration 1422: trace = 2.412629746996349 (1.66286e-09% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.412629746985881 (4.33905e-10% change) linmin: converged after 3 iterations. iteration 1424: trace = 2.412629746969449 (6.81054e-10% change) linmin: converged after 4 iterations. iteration 1425: trace = 2.412629746945281 (1.00176e-09% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.412629746929147 (6.68721e-10% change) linmin: converged after 7 iterations. iteration 1427: trace = 2.412629746926041 (1.28719e-10% change) linmin: converged after 4 iterations. iteration 1428: trace = 2.412629746921242 (1.98923e-10% change) linmin: converged after 7 iterations. iteration 1429: trace = 2.412629746912748 (3.52049e-10% change) linmin: converged after 3 iterations. iteration 1430: trace = 2.412629746905693 (2.9243e-10% change) linmin: converged after 4 iterations. iteration 1431: trace = 2.412629746902486 (1.32953e-10% change) large trace change predicted (4.34248e-10%) linmin: converged after 11 iterations. iteration 1432: trace = 2.412629746892007 (4.34328e-10% change) linmin: converged after 13 iterations. iteration 1433: trace = 2.412629746890513 (6.19207e-11% change) Finished solving for bands 1 to 10 after 1433 iterations. tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 elapsed time for k point: 22.505884170532227 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.507713985909253 (1.59188% change) linmin: converged after 4 iterations. iteration 2: trace = 2.485279161564237 (0.898652% change) linmin: converged after 4 iterations. iteration 3: trace = 2.473300433001331 (0.483152% change) linmin: converged after 4 iterations. iteration 4: trace = 2.471538512190564 (0.071263% change) large trace change predicted (0.219371%) linmin: converged after 3 iterations. iteration 5: trace = 2.466059289837871 (0.221939% change) linmin: converged after 4 iterations. iteration 6: trace = 2.464717523270199 (0.0544241% change) linmin: converged after 4 iterations. iteration 7: trace = 2.46363578384327 (0.0438986% change) linmin: converged after 3 iterations. iteration 8: trace = 2.462593076611024 (0.0423329% change) linmin: converged after 4 iterations. iteration 9: trace = 2.462286932461276 (0.0124326% change) linmin: converged after 3 iterations. iteration 10: trace = 2.461752162924051 (0.0217208% change) linmin: converged after 4 iterations. iteration 11: trace = 2.461484370670815 (0.0108787% change) linmin: converged after 3 iterations. iteration 12: trace = 2.461340116065417 (0.00586064% change) large trace change predicted (0.0129832%) linmin: converged after 3 iterations. iteration 13: trace = 2.461019984093813 (0.0130073% change) linmin: converged after 3 iterations. iteration 14: trace = 2.460939639245447 (0.00326475% change) large trace change predicted (0.0070093%) linmin: converged after 3 iterations. iteration 15: trace = 2.460767349107734 (0.00700124% change) linmin: converged after 4 iterations. iteration 16: trace = 2.460655437132787 (0.00454795% change) linmin: converged after 4 iterations. iteration 17: trace = 2.460570973723221 (0.00343262% change) linmin: converged after 3 iterations. iteration 18: trace = 2.460446786303572 (0.00504723% change) linmin: converged after 4 iterations. iteration 19: trace = 2.460369613396028 (0.00313659% change) large trace change predicted (0.00795679%) linmin: converged after 4 iterations. iteration 20: trace = 2.460173576143728 (0.00796811% change) linmin: converged after 4 iterations. iteration 21: trace = 2.459919542489344 (0.0103264% change) linmin: converged after 4 iterations. iteration 22: trace = 2.459712837233604 (0.00840328% change) linmin: converged after 4 iterations. iteration 23: trace = 2.459365499297269 (0.0141221% change) linmin: converged after 3 iterations. iteration 24: trace = 2.459091691742681 (0.0111339% change) linmin: converged after 4 iterations. iteration 25: trace = 2.458658850278316 (0.0176032% change) linmin: converged after 4 iterations. iteration 26: trace = 2.45837578815362 (0.0115135% change) linmin: converged after 4 iterations. iteration 27: trace = 2.458262680161734 (0.00460103% change) large trace change predicted (0.0113358%) linmin: converged after 4 iterations. iteration 28: trace = 2.457986293200407 (0.0112438% change) linmin: converged after 4 iterations. iteration 29: trace = 2.457774366463829 (0.00862234% change) linmin: converged after 4 iterations. iteration 30: trace = 2.457671503282361 (0.0041853% change) linmin: converged after 4 iterations. iteration 31: trace = 2.457500671235163 (0.00695121% change) linmin: converged after 4 iterations. iteration 32: trace = 2.457364690361219 (0.00553345% change) linmin: converged after 4 iterations. iteration 33: trace = 2.457316173045923 (0.00197438% change) large trace change predicted (0.0049619%) linmin: converged after 4 iterations. iteration 34: trace = 2.457194684027967 (0.00494409% change) linmin: converged after 4 iterations. iteration 35: trace = 2.457143235304573 (0.00209382% change) linmin: converged after 4 iterations. iteration 36: trace = 2.457081169049488 (0.00252598% change) linmin: converged after 3 iterations. iteration 37: trace = 2.457025704678373 (0.00225735% change) linmin: converged after 3 iterations. iteration 38: trace = 2.4569835796467 (0.00171449% change) linmin: converged after 3 iterations. iteration 39: trace = 2.456938445896089 (0.00183697% change) linmin: converged after 3 iterations. iteration 40: trace = 2.456868651029056 (0.00284077% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456832201357737 (0.00148359% change) linmin: converged after 3 iterations. iteration 42: trace = 2.456762746387228 (0.00282705% change) linmin: converged after 3 iterations. iteration 43: trace = 2.456633754385877 (0.00525062% change) linmin: converged after 3 iterations. iteration 44: trace = 2.456571978694712 (0.00251468% change) linmin: converged after 3 iterations. iteration 45: trace = 2.456460127600202 (0.00455324% change) large trace change predicted (0.00975227%) linmin: converged after 4 iterations. iteration 46: trace = 2.456217913606074 (0.00986077% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456161011874888 (0.00231667% change) large trace change predicted (0.0100951%) linmin: converged after 4 iterations. iteration 48: trace = 2.455910183905917 (0.0102127% change) linmin: converged after 3 iterations. iteration 49: trace = 2.455766265407017 (0.00586026% change) linmin: converged after 3 iterations. iteration 50: trace = 2.455707449206866 (0.00239505% change) large trace change predicted (0.00907682%) linmin: converged after 3 iterations. iteration 51: trace = 2.455483823273219 (0.00910679% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455406692493493 (0.00314121% change) linmin: converged after 5 iterations. iteration 53: trace = 2.45534500656597 (0.00251228% change) large trace change predicted (0.00508812%) linmin: converged after 3 iterations. iteration 54: trace = 2.455219784774919 (0.0051001% change) linmin: converged after 3 iterations. iteration 55: trace = 2.455179404957257 (0.00164467% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455132067683953 (0.00192808% change) linmin: converged after 3 iterations. iteration 57: trace = 2.455082993179066 (0.00199887% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455065990994846 (0.000692532% change) linmin: converged after 4 iterations. iteration 59: trace = 2.455039195062922 (0.00109146% change) linmin: converged after 3 iterations. iteration 60: trace = 2.45500771118878 (0.00128243% change) linmin: converged after 4 iterations. iteration 61: trace = 2.454994438728737 (0.00054063% change) large trace change predicted (0.00171818%) linmin: converged after 3 iterations. iteration 62: trace = 2.454952189992032 (0.00172094% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454876585849618 (0.00307971% change) linmin: converged after 3 iterations. iteration 64: trace = 2.454854300869789 (0.000907788% change) large trace change predicted (0.00569488%) linmin: converged after 4 iterations. iteration 65: trace = 2.454714694019299 (0.00568713% change) linmin: converged after 3 iterations. iteration 66: trace = 2.454624975040771 (0.00365503% change) linmin: converged after 4 iterations. iteration 67: trace = 2.45457530223749 (0.00202366% change) large trace change predicted (0.0062657%) linmin: converged after 4 iterations. iteration 68: trace = 2.454421988937807 (0.00624622% change) linmin: converged after 3 iterations. iteration 69: trace = 2.454353550269073 (0.00278842% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.454327016494556 (0.0010811% change) linmin: converged after 3 iterations. iteration 71: trace = 2.454277390885514 (0.00202198% change) linmin: converged after 3 iterations. iteration 72: trace = 2.454243048471604 (0.0013993% change) linmin: converged after 5 iterations. iteration 73: trace = 2.454222272437312 (0.000846539% change) linmin: converged after 9 iterations. iteration 74: trace = 2.454184860170908 (0.00152442% change) linmin: converged after 4 iterations. iteration 75: trace = 2.454170636275528 (0.000579579% change) linmin: converged after 5 iterations. iteration 76: trace = 2.454152682757256 (0.000731554% change) linmin: converged after 5 iterations. iteration 77: trace = 2.454135393107265 (0.000704508% change) linmin: converged after 3 iterations. iteration 78: trace = 2.454127763230099 (0.000310899% change) linmin: converged after 6 iterations. iteration 79: trace = 2.454116641207926 (0.000453198% change) linmin: converged after 3 iterations. iteration 80: trace = 2.454100874828616 (0.000642448% change) linmin: converged after 3 iterations. iteration 81: trace = 2.454095378223422 (0.000223977% change) large trace change predicted (0.000568781%) linmin: converged after 3 iterations. iteration 82: trace = 2.454081421269703 (0.000568723% change) linmin: converged after 3 iterations. iteration 83: trace = 2.454062352865409 (0.000777011% change) linmin: converged after 6 iterations. iteration 84: trace = 2.45405109984487 (0.000458548% change) linmin: converged after 3 iterations. iteration 85: trace = 2.454030977801129 (0.000819955% change) linmin: converged after 5 iterations. iteration 86: trace = 2.454004108702677 (0.0010949% change) linmin: converged after 3 iterations. iteration 87: trace = 2.453991364569639 (0.000519321% change) large trace change predicted (0.00138482%) linmin: converged after 4 iterations. iteration 88: trace = 2.45395739259282 (0.00138437% change) linmin: converged after 6 iterations. iteration 89: trace = 2.453918823166042 (0.00157174% change) linmin: converged after 3 iterations. iteration 90: trace = 2.45389448882618 (0.000991657% change) linmin: converged after 4 iterations. iteration 91: trace = 2.453860285099449 (0.00139386% change) linmin: converged after 4 iterations. iteration 92: trace = 2.453827450047189 (0.00133811% change) linmin: converged after 3 iterations. iteration 93: trace = 2.453820252857478 (0.000293305% change) large trace change predicted (0.0012793%) linmin: converged after 4 iterations. iteration 94: trace = 2.453788863224406 (0.00127922% change) linmin: converged after 4 iterations. iteration 95: trace = 2.453781946499955 (0.00028188% change) large trace change predicted (0.000821764%) linmin: converged after 6 iterations. iteration 96: trace = 2.453761797235113 (0.000821155% change) linmin: converged after 3 iterations. iteration 97: trace = 2.453746361645881 (0.00062906% change) linmin: converged after 3 iterations. iteration 98: trace = 2.453733612248639 (0.00051959% change) linmin: converged after 7 iterations. iteration 99: trace = 2.453727671009575 (0.000242131% change) large trace change predicted (0.000528031%) linmin: converged after 4 iterations. iteration 100: trace = 2.453714712926722 (0.000528099% change) linmin: converged after 4 iterations. iteration 101: trace = 2.453708305626924 (0.000261127% change) linmin: converged after 3 iterations. iteration 102: trace = 2.453701076402193 (0.000294625% change) large trace change predicted (0.00065191%) linmin: converged after 4 iterations. iteration 103: trace = 2.453685087330305 (0.000651633% change) linmin: converged after 3 iterations. iteration 104: trace = 2.453674225179957 (0.000442688% change) large trace change predicted (0.000944268%) linmin: converged after 3 iterations. iteration 105: trace = 2.453651066587232 (0.000943838% change) large trace change predicted (0.00209471%) linmin: converged after 4 iterations. iteration 106: trace = 2.453599505384211 (0.00210143% change) linmin: converged after 5 iterations. iteration 107: trace = 2.453582835442093 (0.00067941% change) large trace change predicted (0.00176196%) linmin: converged after 3 iterations. iteration 108: trace = 2.453539425951453 (0.00176924% change) linmin: converged after 3 iterations. iteration 109: trace = 2.45347778408187 (0.0025124% change) linmin: converged after 4 iterations. iteration 110: trace = 2.453464638519382 (0.000535794% change) large trace change predicted (0.00221849%) linmin: converged after 3 iterations. iteration 111: trace = 2.453410122390943 (0.00222203% change) linmin: converged after 4 iterations. iteration 112: trace = 2.453385543652673 (0.00100182% change) linmin: converged after 3 iterations. iteration 113: trace = 2.453376194131596 (0.000381087% change) large trace change predicted (0.00112562%) linmin: converged after 10 iterations. iteration 114: trace = 2.453348578245827 (0.00112563% change) linmin: converged after 3 iterations. iteration 115: trace = 2.453338345520876 (0.000417093% change) linmin: converged after 6 iterations. iteration 116: trace = 2.453328301306341 (0.000409411% change) linmin: converged after 3 iterations. iteration 117: trace = 2.453315434920004 (0.000524448% change) linmin: converged after 3 iterations. iteration 118: trace = 2.453301865852209 (0.000553093% change) linmin: converged after 3 iterations. iteration 119: trace = 2.453295841849039 (0.000245547% change) large trace change predicted (0.000595206%) linmin: converged after 4 iterations. iteration 120: trace = 2.453281236975756 (0.000595318% change) linmin: converged after 3 iterations. iteration 121: trace = 2.453275432046294 (0.000236619% change) large trace change predicted (0.000476219%) linmin: converged after 3 iterations. iteration 122: trace = 2.453263754904908 (0.000475983% change) linmin: converged after 4 iterations. iteration 123: trace = 2.453247003676034 (0.000682816% change) linmin: converged after 4 iterations. iteration 124: trace = 2.453236665069777 (0.000421426% change) large trace change predicted (0.00103912%) linmin: converged after 3 iterations. iteration 125: trace = 2.453211127274053 (0.00104099% change) linmin: converged after 3 iterations. iteration 126: trace = 2.453161537989081 (0.00202142% change) linmin: converged after 3 iterations. iteration 127: trace = 2.453137345994403 (0.000986161% change) large trace change predicted (0.00307389%) linmin: converged after 3 iterations. iteration 128: trace = 2.453061652253304 (0.00308564% change) linmin: converged after 3 iterations. iteration 129: trace = 2.452970789505381 (0.00370412% change) linmin: converged after 4 iterations. iteration 130: trace = 2.452952081275762 (0.000762679% change) linmin: converged after 3 iterations. iteration 131: trace = 2.452919556217591 (0.00132596% change) linmin: converged after 3 iterations. iteration 132: trace = 2.45289705839666 (0.00091719% change) linmin: converged after 3 iterations. iteration 133: trace = 2.452890291786226 (0.000275862% change) large trace change predicted (0.0012815%) linmin: converged after 3 iterations. iteration 134: trace = 2.45285884203567 (0.00128216% change) linmin: converged after 3 iterations. iteration 135: trace = 2.452842142353985 (0.000680828% change) linmin: converged after 5 iterations. iteration 136: trace = 2.452828597087275 (0.000552229% change) linmin: converged after 4 iterations. iteration 137: trace = 2.452814237817685 (0.000585418% change) linmin: converged after 4 iterations. iteration 138: trace = 2.452797884596636 (0.000666715% change) linmin: converged after 3 iterations. iteration 139: trace = 2.452782688814807 (0.00061953% change) resetting CG direction... linmin: converged after 6 iterations. iteration 140: trace = 2.452772570838299 (0.000412511% change) linmin: converged after 3 iterations. iteration 141: trace = 2.452765277704286 (0.000297343% change) linmin: converged after 3 iterations. iteration 142: trace = 2.452757177275971 (0.000330258% change) linmin: converged after 3 iterations. iteration 143: trace = 2.45275054020818 (0.000270597% change) linmin: converged after 6 iterations. iteration 144: trace = 2.452740078102712 (0.000426547% change) linmin: converged after 3 iterations. iteration 145: trace = 2.452727557207261 (0.000510487% change) linmin: converged after 18 iterations. iteration 146: trace = 2.452721545794444 (0.000245091% change) large trace change predicted (0.000699793%) linmin: converged after 7 iterations. iteration 147: trace = 2.45270438334119 (0.000699733% change) linmin: converged after 4 iterations. iteration 148: trace = 2.452683587709759 (0.000847869% change) linmin: converged after 3 iterations. iteration 149: trace = 2.45267548035887 (0.000330551% change) large trace change predicted (0.000951637%) linmin: converged after 4 iterations. iteration 150: trace = 2.452652194608251 (0.000949407% change) linmin: converged after 5 iterations. iteration 151: trace = 2.452626253195069 (0.00105769% change) linmin: converged after 3 iterations. iteration 152: trace = 2.452610439822919 (0.000644755% change) linmin: converged after 4 iterations. iteration 153: trace = 2.452596637962825 (0.000562743% change) linmin: converged after 7 iterations. iteration 154: trace = 2.452581427899597 (0.000620164% change) linmin: converged after 6 iterations. iteration 155: trace = 2.452577712274604 (0.000151499% change) large trace change predicted (0.000381839%) linmin: converged after 7 iterations. iteration 156: trace = 2.452568349809934 (0.000381741% change) linmin: converged after 4 iterations. iteration 157: trace = 2.452559675257392 (0.000353693% change) linmin: converged after 4 iterations. iteration 158: trace = 2.45255737876787 (9.36365e-05% change) large trace change predicted (0.000272619%) linmin: converged after 4 iterations. iteration 159: trace = 2.45255069313247 (0.000272599% change) linmin: converged after 3 iterations. iteration 160: trace = 2.452546275616604 (0.000180119% change) linmin: converged after 3 iterations. iteration 161: trace = 2.452544527278531 (7.12867e-05% change) large trace change predicted (0.000198491%) linmin: converged after 4 iterations. iteration 162: trace = 2.452539659430474 (0.000198482% change) linmin: converged after 3 iterations. iteration 163: trace = 2.452534999193734 (0.000190017% change) linmin: converged after 5 iterations. iteration 164: trace = 2.452531349661507 (0.000148807% change) linmin: converged after 3 iterations. iteration 165: trace = 2.452525840176924 (0.000224645% change) linmin: converged after 3 iterations. iteration 166: trace = 2.45251659721641 (0.000376876% change) linmin: converged after 3 iterations. iteration 167: trace = 2.452512716096344 (0.000158251% change) large trace change predicted (0.000782672%) linmin: converged after 3 iterations. iteration 168: trace = 2.452493494599059 (0.00078375% change) linmin: converged after 3 iterations. iteration 169: trace = 2.452486808577861 (0.000272622% change) large trace change predicted (0.000588015%) linmin: converged after 3 iterations. iteration 170: trace = 2.452472378944101 (0.000588369% change) linmin: converged after 3 iterations. iteration 171: trace = 2.452455774176158 (0.000677065% change) linmin: converged after 3 iterations. iteration 172: trace = 2.452448229987636 (0.000307618% change) linmin: converged after 3 iterations. iteration 173: trace = 2.452434929310388 (0.000542344% change) linmin: converged after 3 iterations. iteration 174: trace = 2.452422235944708 (0.000517583% change) linmin: converged after 3 iterations. iteration 175: trace = 2.452418708502169 (0.000143835% change) large trace change predicted (0.000386489%) linmin: converged after 3 iterations. iteration 176: trace = 2.452409228696467 (0.00038655% change) linmin: converged after 3 iterations. iteration 177: trace = 2.45240024885704 (0.000366165% change) linmin: converged after 4 iterations. iteration 178: trace = 2.452397991151999 (9.20611e-05% change) large trace change predicted (0.000271156%) linmin: converged after 3 iterations. iteration 179: trace = 2.452391339126951 (0.000271246% change) linmin: converged after 3 iterations. iteration 180: trace = 2.452386970176984 (0.000178151% change) linmin: converged after 3 iterations. iteration 181: trace = 2.452385697130597 (5.19105e-05% change) large trace change predicted (0.000170125%) linmin: converged after 3 iterations. iteration 182: trace = 2.452381525032257 (0.000170124% change) linmin: converged after 3 iterations. iteration 183: trace = 2.452378255486216 (0.000133321% change) linmin: converged after 3 iterations. iteration 184: trace = 2.452377028242287 (5.0043e-05% change) large trace change predicted (0.000164555%) linmin: converged after 3 iterations. iteration 185: trace = 2.452372992755737 (0.000164554% change) linmin: converged after 4 iterations. iteration 186: trace = 2.452368850383033 (0.000168913% change) linmin: converged after 3 iterations. iteration 187: trace = 2.452366912889036 (7.9005e-05% change) large trace change predicted (0.000417383%) linmin: converged after 7 iterations. iteration 188: trace = 2.452356678344031 (0.000417334% change) linmin: converged after 3 iterations. iteration 189: trace = 2.452350276352157 (0.000261055% change) linmin: converged after 4 iterations. iteration 190: trace = 2.452345971237587 (0.000175551% change) large trace change predicted (0.000560503%) linmin: converged after 4 iterations. iteration 191: trace = 2.452332231135114 (0.000560286% change) linmin: converged after 4 iterations. iteration 192: trace = 2.452329110713686 (0.000127243% change) large trace change predicted (0.00045039%) linmin: converged after 3 iterations. iteration 193: trace = 2.452318069706833 (0.000450226% change) linmin: converged after 5 iterations. iteration 194: trace = 2.452310488056405 (0.000309163% change) linmin: converged after 3 iterations. iteration 195: trace = 2.452306394220442 (0.000166938% change) linmin: converged after 5 iterations. iteration 196: trace = 2.452300351418192 (0.000246413% change) linmin: converged after 4 iterations. iteration 197: trace = 2.452293868489042 (0.000264361% change) linmin: converged after 3 iterations. iteration 198: trace = 2.452292566759137 (5.30821e-05% change) large trace change predicted (0.000201454%) linmin: converged after 3 iterations. iteration 199: trace = 2.45228762671193 (0.000201446% change) linmin: converged after 3 iterations. iteration 200: trace = 2.452285322655437 (9.39554e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.452284130416469 (4.86175e-05% change) large trace change predicted (0.000116573%) linmin: converged after 3 iterations. iteration 202: trace = 2.452281271627409 (0.000116577% change) linmin: converged after 3 iterations. iteration 203: trace = 2.452278294145548 (0.000121417% change) linmin: converged after 4 iterations. iteration 204: trace = 2.452277204502076 (4.44339e-05% change) large trace change predicted (0.000108693%) linmin: converged after 3 iterations. iteration 205: trace = 2.45227453846246 (0.000108717% change) linmin: converged after 5 iterations. iteration 206: trace = 2.452269291426804 (0.000213966% change) linmin: converged after 3 iterations. iteration 207: trace = 2.452267662169495 (6.64388e-05% change) large trace change predicted (0.000296096%) linmin: converged after 3 iterations. iteration 208: trace = 2.452260396215607 (0.000296296% change) linmin: converged after 3 iterations. iteration 209: trace = 2.45225166485298 (0.000356054% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.452247439278862 (0.000172314% change) linmin: converged after 7 iterations. iteration 211: trace = 2.452239779758671 (0.000312347% change) linmin: converged after 3 iterations. iteration 212: trace = 2.452237367957184 (9.8351e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.452234809025892 (0.000104351% change) linmin: converged after 15 iterations. iteration 214: trace = 2.452231354286834 (0.000140881% change) linmin: converged after 3 iterations. iteration 215: trace = 2.452230005968953 (5.49833e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.452227905128951 (8.56706e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.452225535367658 (9.66371e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.452224453689048 (4.41101e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.452222322762348 (8.68977e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.452219719417787 (0.000106163% change) linmin: converged after 3 iterations. iteration 221: trace = 2.452218183218178 (6.26453e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.452216459608282 (7.02878e-05% change) large trace change predicted (0.000179911%) linmin: converged after 5 iterations. iteration 223: trace = 2.452212045492919 (0.000180005% change) linmin: converged after 4 iterations. iteration 224: trace = 2.452210586190468 (5.95097e-05% change) large trace change predicted (0.000210216%) linmin: converged after 3 iterations. iteration 225: trace = 2.452205427108979 (0.000210385% change) linmin: converged after 4 iterations. iteration 226: trace = 2.452199607805635 (0.000237309% change) linmin: converged after 5 iterations. iteration 227: trace = 2.452195910523776 (0.000150774% change) linmin: converged after 3 iterations. iteration 228: trace = 2.452193302147046 (0.000106369% change) large trace change predicted (0.000330405%) linmin: converged after 4 iterations. iteration 229: trace = 2.45218519915589 (0.000330439% change) linmin: converged after 7 iterations. iteration 230: trace = 2.45218126004048 (0.000160637% change) linmin: converged after 3 iterations. iteration 231: trace = 2.452177953320755 (0.000134848% change) linmin: converged after 3 iterations. iteration 232: trace = 2.452171855617065 (0.000248665% change) linmin: converged after 4 iterations. iteration 233: trace = 2.452170729833905 (4.59096e-05% change) large trace change predicted (0.000155844%) linmin: converged after 3 iterations. iteration 234: trace = 2.452166905938778 (0.000155939% change) linmin: converged after 3 iterations. iteration 235: trace = 2.452164946747112 (7.98964e-05% change) linmin: converged after 4 iterations. iteration 236: trace = 2.452163392132787 (6.33976e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.452162131133532 (5.1424e-05% change) large trace change predicted (0.000129359%) linmin: converged after 3 iterations. iteration 238: trace = 2.452158958413194 (0.000129385% change) linmin: converged after 3 iterations. iteration 239: trace = 2.452158275174888 (2.78627e-05% change) large trace change predicted (0.00012237%) linmin: converged after 3 iterations. iteration 240: trace = 2.452155274307407 (0.000122377% change) linmin: converged after 9 iterations. iteration 241: trace = 2.452152615587393 (0.000108424% change) linmin: converged after 4 iterations. iteration 242: trace = 2.452151636431322 (3.99305e-05% change) large trace change predicted (0.000164569%) linmin: converged after 12 iterations. iteration 243: trace = 2.452147601355149 (0.000164553% change) linmin: converged after 5 iterations. iteration 244: trace = 2.452144621795718 (0.000121508% change) linmin: converged after 3 iterations. iteration 245: trace = 2.452142412523164 (9.00956e-05% change) large trace change predicted (0.000214265%) linmin: converged after 3 iterations. iteration 246: trace = 2.452137160888456 (0.000214165% change) linmin: converged after 3 iterations. iteration 247: trace = 2.452129275312435 (0.00032158% change) linmin: converged after 6 iterations. iteration 248: trace = 2.452126372462974 (0.000118381% change) large trace change predicted (0.000459561%) linmin: converged after 14 iterations. iteration 249: trace = 2.452115115152491 (0.000459085% change) linmin: converged after 4 iterations. iteration 250: trace = 2.452111763758238 (0.000136674% change) large trace change predicted (0.000297415%) linmin: converged after 19 iterations. iteration 251: trace = 2.452104477533321 (0.000297141% change) linmin: converged after 3 iterations. iteration 252: trace = 2.452100076548783 (0.000179478% change) linmin: converged after 3 iterations. iteration 253: trace = 2.452096031095323 (0.000164979% change) linmin: converged after 5 iterations. iteration 254: trace = 2.452094830732901 (4.89525e-05% change) large trace change predicted (0.000113346%) linmin: converged after 3 iterations. iteration 255: trace = 2.452092051510675 (0.000113341% change) linmin: converged after 5 iterations. iteration 256: trace = 2.452090752207555 (5.29875e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.45208986655014 (3.61185e-05% change) large trace change predicted (0.000100902%) linmin: converged after 8 iterations. iteration 258: trace = 2.452087392480153 (0.000100896% change) linmin: converged after 22 iterations. iteration 259: trace = 2.452086383958461 (4.11291e-05% change) linmin: converged after 5 iterations. iteration 260: trace = 2.452085152469943 (5.02221e-05% change) linmin: converged after 4 iterations. iteration 261: trace = 2.452082753116231 (9.78496e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.452081334342666 (5.786e-05% change) large trace change predicted (0.000154627%) linmin: converged after 3 iterations. iteration 263: trace = 2.452077542649516 (0.000154632% change) linmin: converged after 4 iterations. iteration 264: trace = 2.452071671681119 (0.000239429% change) linmin: converged after 4 iterations. iteration 265: trace = 2.452069632272992 (8.31709e-05% change) large trace change predicted (0.000180755%) linmin: converged after 5 iterations. iteration 266: trace = 2.452065198993772 (0.000180798% change) linmin: converged after 7 iterations. iteration 267: trace = 2.452056950140556 (0.000336405% change) linmin: converged after 4 iterations. iteration 268: trace = 2.45205409803041 (0.000116315% change) large trace change predicted (0.000275497%) linmin: converged after 3 iterations. iteration 269: trace = 2.452047328173189 (0.00027609% change) linmin: converged after 3 iterations. iteration 270: trace = 2.452040138586268 (0.000293208% change) linmin: converged after 3 iterations. iteration 271: trace = 2.452038580574617 (6.35394e-05% change) large trace change predicted (0.0002236%) linmin: converged after 3 iterations. iteration 272: trace = 2.452033093357528 (0.000223782% change) linmin: converged after 3 iterations. iteration 273: trace = 2.452029212615683 (0.000158266% change) linmin: converged after 3 iterations. iteration 274: trace = 2.452028342406178 (3.54894e-05% change) large trace change predicted (9.60583e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.452025986550546 (9.60779e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.452024019452791 (8.02234e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.452023473159935 (2.22793e-05% change) large trace change predicted (0.000123007%) linmin: converged after 5 iterations. iteration 278: trace = 2.452020456805498 (0.000123015% change) linmin: converged after 4 iterations. iteration 279: trace = 2.45201452953042 (0.000241731% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.452009727461228 (0.000195842% change) linmin: converged after 4 iterations. iteration 281: trace = 2.452007540531449 (8.91893e-05% change) linmin: converged after 5 iterations. iteration 282: trace = 2.452006657649647 (3.60065e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.45200532183798 (5.44783e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.452003115505384 (8.99808e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.45200235583181 (3.09818e-05% change) large trace change predicted (8.11842e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.452000366439965 (8.11334e-05% change) linmin: converged after 12 iterations. iteration 287: trace = 2.451996418703733 (0.000161001% change) linmin: converged after 3 iterations. iteration 288: trace = 2.451995334938363 (4.41993e-05% change) large trace change predicted (0.000170194%) linmin: converged after 5 iterations. iteration 289: trace = 2.451991166288022 (0.000170011% change) linmin: converged after 4 iterations. iteration 290: trace = 2.451986280180539 (0.000199271% change) linmin: converged after 4 iterations. iteration 291: trace = 2.451984139544748 (8.73021e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.451980067482785 (0.000166072% change) linmin: converged after 7 iterations. iteration 293: trace = 2.451974677609453 (0.000219817% change) linmin: converged after 3 iterations. iteration 294: trace = 2.45197381669557 (3.5111e-05% change) large trace change predicted (0.000145934%) linmin: converged after 11 iterations. iteration 295: trace = 2.451970240797099 (0.000145838% change) linmin: converged after 4 iterations. iteration 296: trace = 2.451968866179818 (5.60618e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.451967957960132 (3.70404e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.451966311815795 (6.71357e-05% change) linmin: converged after 16 iterations. iteration 299: trace = 2.451965168062407 (4.66464e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.451964505865855 (2.70068e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.451963500671679 (4.09955e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.451962964343065 (2.18734e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.451962083481351 (3.59248e-05% change) large trace change predicted (7.403e-05%) linmin: converged after 3 iterations. iteration 304: trace = 2.451960267768574 (7.40514e-05% change) linmin: converged after 4 iterations. iteration 305: trace = 2.451959240259281 (4.19056e-05% change) linmin: converged after 4 iterations. iteration 306: trace = 2.45195840324676 (3.41365e-05% change) large trace change predicted (9.86787e-05%) linmin: converged after 4 iterations. iteration 307: trace = 2.451955982741342 (9.87173e-05% change) linmin: converged after 3 iterations. iteration 308: trace = 2.451953841268762 (8.73374e-05% change) linmin: converged after 4 iterations. iteration 309: trace = 2.45195130880107 (0.000103284% change) linmin: converged after 3 iterations. iteration 310: trace = 2.451947245150415 (0.000165731% change) linmin: converged after 3 iterations. iteration 311: trace = 2.451945802462522 (5.88385e-05% change) large trace change predicted (0.000140241%) linmin: converged after 5 iterations. iteration 312: trace = 2.451942362711292 (0.000140287% change) linmin: converged after 3 iterations. iteration 313: trace = 2.451939479922509 (0.000117572% change) linmin: converged after 3 iterations. iteration 314: trace = 2.451938683602901 (3.24771e-05% change) large trace change predicted (8.36285e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.451936632622227 (8.36473e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.451935089349582 (6.2941e-05% change) linmin: converged after 3 iterations. iteration 317: trace = 2.451934541920565 (2.23264e-05% change) large trace change predicted (6.49707e-05%) linmin: converged after 4 iterations. iteration 318: trace = 2.451932948678755 (6.4979e-05% change) linmin: converged after 3 iterations. iteration 319: trace = 2.45193165637232 (5.27056e-05% change) linmin: converged after 13 iterations. iteration 320: trace = 2.45193107924358 (2.35377e-05% change) linmin: converged after 4 iterations. iteration 321: trace = 2.451930344007868 (2.9986e-05% change) linmin: converged after 3 iterations. iteration 322: trace = 2.451929427592482 (3.73753e-05% change) linmin: converged after 2 iterations. iteration 323: trace = 2.451929215890909 (8.63408e-06% change) large trace change predicted (3.87992e-05%) linmin: converged after 4 iterations. iteration 324: trace = 2.451928264644343 (3.87958e-05% change) linmin: converged after 3 iterations. iteration 325: trace = 2.451927466356714 (3.25575e-05% change) linmin: converged after 4 iterations. iteration 326: trace = 2.451927088765477 (1.53998e-05% change) large trace change predicted (5.28495e-05%) linmin: converged after 3 iterations. iteration 327: trace = 2.451925793408558 (5.28302e-05% change) linmin: converged after 4 iterations. iteration 328: trace = 2.451924386804797 (5.73673e-05% change) linmin: converged after 3 iterations. iteration 329: trace = 2.451922993346532 (5.68312e-05% change) linmin: converged after 4 iterations. iteration 330: trace = 2.451921069340289 (7.84693e-05% change) linmin: converged after 3 iterations. iteration 331: trace = 2.451918495340491 (0.000104979% change) linmin: converged after 3 iterations. iteration 332: trace = 2.451917611962545 (3.6028e-05% change) large trace change predicted (9.67494e-05%) linmin: converged after 3 iterations. iteration 333: trace = 2.451915239937596 (9.67417e-05% change) linmin: converged after 7 iterations. iteration 334: trace = 2.451914264872701 (3.97675e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.451913114917563 (4.69003e-05% change) linmin: converged after 4 iterations. iteration 336: trace = 2.451911892528864 (4.98545e-05% change) linmin: converged after 3 iterations. iteration 337: trace = 2.451911121514247 (3.14455e-05% change) linmin: converged after 4 iterations. iteration 338: trace = 2.451910440461843 (2.77764e-05% change) linmin: converged after 18 iterations. iteration 339: trace = 2.451909413734949 (4.18746e-05% change) linmin: converged after 8 iterations. iteration 340: trace = 2.451909198007312 (8.79835e-06% change) large trace change predicted (2.18808e-05%) linmin: converged after 3 iterations. iteration 341: trace = 2.451908661399456 (2.18853e-05% change) linmin: converged after 5 iterations. iteration 342: trace = 2.451907853174074 (3.29631e-05% change) linmin: converged after 4 iterations. iteration 343: trace = 2.451907641293393 (8.64146e-06% change) large trace change predicted (2.56596e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.451907012099088 (2.56614e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.451906446585409 (2.30642e-05% change) linmin: converged after 4 iterations. iteration 346: trace = 2.45190615307573 (1.19707e-05% change) large trace change predicted (5.65781e-05%) linmin: converged after 4 iterations. iteration 347: trace = 2.451904765395973 (5.6596e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.451903258390157 (6.14627e-05% change) linmin: converged after 3 iterations. iteration 349: trace = 2.451902302053553 (3.90039e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.451901444021173 (3.49946e-05% change) linmin: converged after 3 iterations. iteration 351: trace = 2.451900268699934 (4.79351e-05% change) linmin: converged after 3 iterations. iteration 352: trace = 2.451899284761674 (4.01296e-05% change) linmin: converged after 2 iterations. iteration 353: trace = 2.451898802067656 (1.96865e-05% change) linmin: converged after 3 iterations. iteration 354: trace = 2.451898177608482 (2.54684e-05% change) linmin: converged after 2 iterations. iteration 355: trace = 2.45189768562931 (2.00652e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.45189745358336 (9.46393e-06% change) large trace change predicted (2.18607e-05%) linmin: converged after 3 iterations. iteration 357: trace = 2.451896917539232 (2.18624e-05% change) linmin: converged after 4 iterations. iteration 358: trace = 2.451896216910838 (2.8575e-05% change) linmin: converged after 4 iterations. iteration 359: trace = 2.451896071765771 (5.91971e-06% change) large trace change predicted (2.86503e-05%) linmin: converged after 3 iterations. iteration 360: trace = 2.45189536910911 (2.86577e-05% change) linmin: converged after 4 iterations. iteration 361: trace = 2.451894829568567 (2.2005e-05% change) linmin: converged after 4 iterations. iteration 362: trace = 2.451894548518837 (1.14626e-05% change) large trace change predicted (3.82963e-05%) linmin: converged after 3 iterations. iteration 363: trace = 2.451893609166292 (3.83113e-05% change) linmin: converged after 3 iterations. iteration 364: trace = 2.451892360793373 (5.09147e-05% change) linmin: converged after 3 iterations. iteration 365: trace = 2.451891978130545 (1.56068e-05% change) large trace change predicted (5.50288e-05%) linmin: converged after 3 iterations. iteration 366: trace = 2.451890628136772 (5.50593e-05% change) linmin: converged after 3 iterations. iteration 367: trace = 2.451889379817075 (5.09125e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.451888895783192 (1.97413e-05% change) large trace change predicted (7.53296e-05%) linmin: converged after 3 iterations. iteration 369: trace = 2.451887047454882 (7.53839e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.451885659953243 (5.65891e-05% change) linmin: converged after 3 iterations. iteration 371: trace = 2.451885088224141 (2.33179e-05% change) large trace change predicted (5.25593e-05%) linmin: converged after 3 iterations. iteration 372: trace = 2.451883799252872 (5.25706e-05% change) linmin: converged after 3 iterations. iteration 373: trace = 2.451882959846034 (3.42352e-05% change) linmin: converged after 2 iterations. iteration 374: trace = 2.451882637851984 (1.31325e-05% change) large trace change predicted (2.6608e-05%) linmin: converged after 4 iterations. iteration 375: trace = 2.451881985403601 (2.66101e-05% change) linmin: converged after 4 iterations. iteration 376: trace = 2.451881666409702 (1.30102e-05% change) linmin: converged after 3 iterations. iteration 377: trace = 2.451881424707288 (9.85783e-06% change) large trace change predicted (2.79728e-05%) linmin: converged after 3 iterations. iteration 378: trace = 2.451880738799101 (2.79748e-05% change) linmin: converged after 4 iterations. iteration 379: trace = 2.451880312770379 (1.73756e-05% change) linmin: converged after 2 iterations. iteration 380: trace = 2.451879974325696 (1.38035e-05% change) large trace change predicted (3.59867e-05%) linmin: converged after 4 iterations. iteration 381: trace = 2.451879091948053 (3.59878e-05% change) linmin: converged after 3 iterations. iteration 382: trace = 2.451878586924512 (2.05974e-05% change) linmin: converged after 3 iterations. iteration 383: trace = 2.451877877061793 (2.89518e-05% change) linmin: converged after 3 iterations. iteration 384: trace = 2.451876608742854 (5.17285e-05% change) linmin: converged after 11 iterations. iteration 385: trace = 2.451875767688587 (3.43025e-05% change) linmin: converged after 3 iterations. iteration 386: trace = 2.451874978478529 (3.2188e-05% change) large trace change predicted (6.86527e-05%) linmin: converged after 4 iterations. iteration 387: trace = 2.451873296589411 (6.85961e-05% change) linmin: converged after 4 iterations. iteration 388: trace = 2.451871469758743 (7.45076e-05% change) linmin: converged after 4 iterations. iteration 389: trace = 2.451870287619347 (4.82138e-05% change) linmin: converged after 4 iterations. iteration 390: trace = 2.451868320179222 (8.02425e-05% change) linmin: converged after 3 iterations. iteration 391: trace = 2.451867693154867 (2.55733e-05% change) linmin: converged after 3 iterations. iteration 392: trace = 2.451866887621613 (3.28539e-05% change) linmin: converged after 8 iterations. iteration 393: trace = 2.451865955401389 (3.80208e-05% change) linmin: converged after 4 iterations. iteration 394: trace = 2.451865719980986 (9.60168e-06% change) large trace change predicted (1.96496e-05%) linmin: converged after 13 iterations. iteration 395: trace = 2.451865238246529 (1.96477e-05% change) linmin: converged after 4 iterations. iteration 396: trace = 2.451864655613975 (2.37628e-05% change) linmin: converged after 5 iterations. iteration 397: trace = 2.4518644474754 (8.48899e-06% change) large trace change predicted (1.99883e-05%) linmin: converged after 3 iterations. iteration 398: trace = 2.451863957428071 (1.99867e-05% change) linmin: converged after 3 iterations. iteration 399: trace = 2.451863487062912 (1.9184e-05% change) linmin: converged after 4 iterations. iteration 400: trace = 2.451863223688848 (1.07418e-05% change) linmin: converged after 3 iterations. iteration 401: trace = 2.451862707241005 (2.10635e-05% change) large trace change predicted (4.31309e-05%) linmin: converged after 3 iterations. iteration 402: trace = 2.451861649539083 (4.31387e-05% change) linmin: converged after 5 iterations. iteration 403: trace = 2.451861281443321 (1.50129e-05% change) large trace change predicted (4.96566e-05%) linmin: converged after 3 iterations. iteration 404: trace = 2.451860063359621 (4.968e-05% change) linmin: converged after 3 iterations. iteration 405: trace = 2.451858706397193 (5.53442e-05% change) linmin: converged after 4 iterations. iteration 406: trace = 2.451858184270854 (2.12951e-05% change) large trace change predicted (7.72358e-05%) linmin: converged after 5 iterations. iteration 407: trace = 2.451856289454036 (7.72809e-05% change) linmin: converged after 3 iterations. iteration 408: trace = 2.451854717228413 (6.41239e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.451854037873246 (2.77078e-05% change) linmin: converged after 3 iterations. iteration 410: trace = 2.451852767897514 (5.17966e-05% change) linmin: converged after 3 iterations. iteration 411: trace = 2.451851776527858 (4.04335e-05% change) linmin: converged after 3 iterations. iteration 412: trace = 2.451851360826138 (1.69546e-05% change) large trace change predicted (4.12842e-05%) linmin: converged after 3 iterations. iteration 413: trace = 2.451850348447989 (4.12904e-05% change) linmin: converged after 4 iterations. iteration 414: trace = 2.451849942354363 (1.65627e-05% change) linmin: converged after 3 iterations. iteration 415: trace = 2.451849601948214 (1.38836e-05% change) linmin: converged after 3 iterations. iteration 416: trace = 2.45184923699037 (1.4885e-05% change) linmin: converged after 3 iterations. iteration 417: trace = 2.4518487558609 (1.96231e-05% change) linmin: converged after 2 iterations. iteration 418: trace = 2.451848412291829 (1.40127e-05% change) large trace change predicted (0.00028451%) linmin: converged after 4 iterations. iteration 419: trace = 2.451841436317626 (0.000284519% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.451838601804798 (0.000115608% change) linmin: converged after 4 iterations. iteration 421: trace = 2.451836909973618 (6.90026e-05% change) linmin: converged after 4 iterations. iteration 422: trace = 2.451835802033676 (4.51882e-05% change) linmin: converged after 5 iterations. iteration 423: trace = 2.451835562032835 (9.78862e-06% change) linmin: converged after 2 iterations. iteration 424: trace = 2.451835215370466 (1.41389e-05% change) linmin: converged after 3 iterations. iteration 425: trace = 2.451834742223461 (1.92977e-05% change) linmin: converged after 2 iterations. iteration 426: trace = 2.451834622123581 (4.89837e-06% change) large trace change predicted (1.53283e-05%) linmin: converged after 5 iterations. iteration 427: trace = 2.451834246408475 (1.53238e-05% change) linmin: converged after 4 iterations. iteration 428: trace = 2.451833755519586 (2.00213e-05% change) linmin: converged after 3 iterations. iteration 429: trace = 2.451833441577055 (1.28044e-05% change) linmin: converged after 4 iterations. iteration 430: trace = 2.451832871304814 (2.3259e-05% change) linmin: converged after 3 iterations. iteration 431: trace = 2.451832128766152 (3.0285e-05% change) linmin: converged after 4 iterations. iteration 432: trace = 2.451831696871643 (1.76152e-05% change) large trace change predicted (4.8364e-05%) linmin: converged after 4 iterations. iteration 433: trace = 2.451830511790898 (4.83345e-05% change) linmin: converged after 3 iterations. iteration 434: trace = 2.451830084932789 (1.74098e-05% change) linmin: converged after 5 iterations. iteration 435: trace = 2.451829718368761 (1.49506e-05% change) large trace change predicted (3.22146e-05%) linmin: converged after 3 iterations. iteration 436: trace = 2.451828928830973 (3.2202e-05% change) linmin: converged after 4 iterations. iteration 437: trace = 2.451828555280068 (1.52356e-05% change) linmin: converged after 4 iterations. iteration 438: trace = 2.451828125337213 (1.75356e-05% change) linmin: converged after 5 iterations. iteration 439: trace = 2.451827555368756 (2.32467e-05% change) linmin: converged after 5 iterations. iteration 440: trace = 2.451827131496278 (1.7288e-05% change) linmin: converged after 4 iterations. iteration 441: trace = 2.451826837456072 (1.19927e-05% change) linmin: converged after 4 iterations. iteration 442: trace = 2.451826425024183 (1.68214e-05% change) linmin: converged after 2 iterations. iteration 443: trace = 2.451826327980715 (3.95801e-06% change) large trace change predicted (9.15843e-06%) linmin: converged after 2 iterations. iteration 444: trace = 2.451826103428814 (9.15856e-06% change) linmin: converged after 2 iterations. iteration 445: trace = 2.451825844898365 (1.05444e-05% change) linmin: converged after 3 iterations. iteration 446: trace = 2.451825711670842 (5.43381e-06% change) linmin: converged after 4 iterations. iteration 447: trace = 2.451825476833464 (9.57806e-06% change) linmin: converged after 6 iterations. iteration 448: trace = 2.45182523625104 (9.81238e-06% change) linmin: converged after 2 iterations. iteration 449: trace = 2.451825117673762 (4.83629e-06% change) large trace change predicted (1.42353e-05%) linmin: converged after 3 iterations. iteration 450: trace = 2.451824768562432 (1.42388e-05% change) large trace change predicted (2.8499e-05%) linmin: converged after 3 iterations. iteration 451: trace = 2.451824069375237 (2.8517e-05% change) linmin: converged after 2 iterations. iteration 452: trace = 2.451823856700439 (8.67415e-06% change) large trace change predicted (3.26671e-05%) linmin: converged after 4 iterations. iteration 453: trace = 2.451823055413986 (3.26812e-05% change) linmin: converged after 3 iterations. iteration 454: trace = 2.451822534632694 (2.12406e-05% change) linmin: converged after 4 iterations. iteration 455: trace = 2.451822278183291 (1.04595e-05% change) linmin: converged after 3 iterations. iteration 456: trace = 2.451821801070401 (1.94595e-05% change) linmin: converged after 3 iterations. iteration 457: trace = 2.451820979456362 (3.35104e-05% change) linmin: converged after 2 iterations. iteration 458: trace = 2.451820789967071 (7.72851e-06% change) large trace change predicted (1.9624e-05%) linmin: converged after 5 iterations. iteration 459: trace = 2.451820308753132 (1.96268e-05% change) linmin: converged after 4 iterations. iteration 460: trace = 2.451819974130427 (1.36479e-05% change) linmin: converged after 3 iterations. iteration 461: trace = 2.451819876449114 (3.98403e-06% change) large trace change predicted (9.35897e-06%) linmin: converged after 3 iterations. iteration 462: trace = 2.451819646985611 (9.35891e-06% change) linmin: converged after 6 iterations. iteration 463: trace = 2.451819501494014 (5.93403e-06% change) linmin: converged after 4 iterations. iteration 464: trace = 2.451819453452388 (1.95943e-06% change) large trace change predicted (7.48994e-06%) linmin: converged after 3 iterations. iteration 465: trace = 2.451819269819177 (7.48967e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.451819114108615 (6.35082e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.451819017209697 (3.95212e-06% change) linmin: converged after 5 iterations. iteration 468: trace = 2.451818837296233 (7.33796e-06% change) linmin: converged after 3 iterations. iteration 469: trace = 2.451818602208911 (9.58828e-06% change) linmin: converged after 2 iterations. iteration 470: trace = 2.451818356080005 (1.00386e-05% change) large trace change predicted (2.7634e-05%) linmin: converged after 3 iterations. iteration 471: trace = 2.451817678667935 (2.7629e-05% change) linmin: converged after 3 iterations. iteration 472: trace = 2.451817380165583 (1.21747e-05% change) linmin: converged after 4 iterations. iteration 473: trace = 2.451816898342992 (1.96517e-05% change) linmin: converged after 4 iterations. iteration 474: trace = 2.451816485475382 (1.68393e-05% change) linmin: converged after 3 iterations. iteration 475: trace = 2.4518162779371 (8.46467e-06% change) linmin: converged after 3 iterations. iteration 476: trace = 2.451816045785287 (9.46857e-06% change) linmin: converged after 11 iterations. iteration 477: trace = 2.451815700665402 (1.40761e-05% change) linmin: converged after 2 iterations. iteration 478: trace = 2.451815534090509 (6.79394e-06% change) linmin: converged after 4 iterations. iteration 479: trace = 2.451815426527374 (4.38708e-06% change) large trace change predicted (9.40697e-06%) linmin: converged after 3 iterations. iteration 480: trace = 2.451815195888033 (9.40688e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.451815151679409 (1.8031e-06% change) large trace change predicted (6.46819e-06%) linmin: converged after 3 iterations. iteration 482: trace = 2.451814993092279 (6.46815e-06% change) linmin: converged after 4 iterations. iteration 483: trace = 2.451814898769976 (3.84704e-06% change) linmin: converged after 3 iterations. iteration 484: trace = 2.451814821722924 (3.14245e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.451814729426451 (3.76441e-06% change) large trace change predicted (7.80835e-06%) linmin: converged after 2 iterations. iteration 486: trace = 2.451814537975693 (7.80853e-06% change) linmin: converged after 4 iterations. iteration 487: trace = 2.451814474613091 (2.58431e-06% change) large trace change predicted (8.30426e-06%) linmin: converged after 2 iterations. iteration 488: trace = 2.451814271007475 (8.30428e-06% change) linmin: converged after 2 iterations. iteration 489: trace = 2.451814039280148 (9.45126e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.45181397042017 (2.80853e-06% change) large trace change predicted (6.5636e-06%) linmin: converged after 3 iterations. iteration 491: trace = 2.451813809493573 (6.56357e-06% change) linmin: converged after 2 iterations. iteration 492: trace = 2.451813652401437 (6.40718e-06% change) linmin: converged after 2 iterations. iteration 493: trace = 2.451813593204902 (2.4144e-06% change) large trace change predicted (7.02741e-06%) linmin: converged after 2 iterations. iteration 494: trace = 2.451813420904794 (7.02746e-06% change) linmin: converged after 2 iterations. iteration 495: trace = 2.451813311925445 (4.44485e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.451813268333645 (1.77794e-06% change) large trace change predicted (4.48681e-06%) linmin: converged after 10 iterations. iteration 497: trace = 2.45181315832615 (4.48678e-06% change) linmin: converged after 6 iterations. iteration 498: trace = 2.451813072051939 (3.51879e-06% change) linmin: converged after 4 iterations. iteration 499: trace = 2.451812990208225 (3.33809e-06% change) linmin: converged after 3 iterations. iteration 500: trace = 2.451812851103136 (5.67356e-06% change) linmin: converged after 4 iterations. iteration 501: trace = 2.451812701797941 (6.08958e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.451812642402236 (2.42252e-06% change) large trace change predicted (1.08472e-05%) linmin: converged after 3 iterations. iteration 503: trace = 2.451812376423422 (1.08483e-05% change) linmin: converged after 3 iterations. iteration 504: trace = 2.45181219671429 (7.32964e-06% change) linmin: converged after 3 iterations. iteration 505: trace = 2.451812031888245 (6.72262e-06% change) large trace change predicted (1.47998e-05%) linmin: converged after 4 iterations. iteration 506: trace = 2.451811668983072 (1.48015e-05% change) linmin: converged after 3 iterations. iteration 507: trace = 2.451811535793213 (5.4323e-06% change) linmin: converged after 6 iterations. iteration 508: trace = 2.451811302711546 (9.50651e-06% change) large trace change predicted (2.01283e-05%) linmin: converged after 3 iterations. iteration 509: trace = 2.451810809150256 (2.01305e-05% change) linmin: converged after 3 iterations. iteration 510: trace = 2.451810555415283 (1.03489e-05% change) linmin: converged after 4 iterations. iteration 511: trace = 2.451810455292982 (4.08361e-06% change) large trace change predicted (1.04831e-05%) linmin: converged after 3 iterations. iteration 512: trace = 2.451810198235681 (1.04844e-05% change) linmin: converged after 2 iterations. iteration 513: trace = 2.451810123605975 (3.04386e-06% change) large trace change predicted (6.34359e-06%) linmin: converged after 3 iterations. iteration 514: trace = 2.451809968056701 (6.34426e-06% change) linmin: converged after 23 iterations. iteration 515: trace = 2.451809878185027 (3.66552e-06% change) linmin: converged after 2 iterations. iteration 516: trace = 2.45180979173746 (3.52587e-06% change) linmin: converged after 2 iterations. iteration 517: trace = 2.451809703055815 (3.61699e-06% change) linmin: converged after 3 iterations. iteration 518: trace = 2.451809546049716 (6.40368e-06% change) linmin: converged after 3 iterations. iteration 519: trace = 2.45180944165795 (4.25774e-06% change) linmin: converged after 8 iterations. iteration 520: trace = 2.451809368212193 (2.99557e-06% change) large trace change predicted (8.31118e-06%) linmin: converged after 4 iterations. iteration 521: trace = 2.451809164454754 (8.31049e-06% change) linmin: converged after 5 iterations. iteration 522: trace = 2.451808943771632 (9.00083e-06% change) linmin: converged after 2 iterations. iteration 523: trace = 2.451808847262238 (3.93625e-06% change) large trace change predicted (8.65338e-06%) linmin: converged after 13 iterations. iteration 524: trace = 2.451808635094025 (8.65354e-06% change) linmin: converged after 5 iterations. iteration 525: trace = 2.451808373553239 (1.06673e-05% change) linmin: converged after 3 iterations. iteration 526: trace = 2.451808269918728 (4.22686e-06% change) large trace change predicted (2.52299e-05%) linmin: converged after 3 iterations. iteration 527: trace = 2.451807651595333 (2.52191e-05% change) linmin: converged after 5 iterations. iteration 528: trace = 2.451807165020936 (1.98455e-05% change) linmin: converged after 3 iterations. iteration 529: trace = 2.451807010632332 (6.29693e-06% change) linmin: converged after 3 iterations. iteration 530: trace = 2.451806790750918 (8.96814e-06% change) linmin: converged after 3 iterations. iteration 531: trace = 2.451806587138382 (8.30459e-06% change) linmin: converged after 3 iterations. iteration 532: trace = 2.451806541745118 (1.85142e-06% change) large trace change predicted (7.01143e-06%) linmin: converged after 8 iterations. iteration 533: trace = 2.451806369845106 (7.01116e-06% change) linmin: converged after 3 iterations. iteration 534: trace = 2.451806295741114 (3.02242e-06% change) linmin: converged after 7 iterations. iteration 535: trace = 2.451806242803898 (2.15911e-06% change) large trace change predicted (5.33882e-06%) linmin: converged after 4 iterations. iteration 536: trace = 2.451806111903806 (5.33892e-06% change) linmin: converged after 2 iterations. iteration 537: trace = 2.451806065983852 (1.8729e-06% change) large trace change predicted (4.69983e-06%) linmin: converged after 2 iterations. iteration 538: trace = 2.451805950750366 (4.69994e-06% change) linmin: converged after 3 iterations. iteration 539: trace = 2.451805840143377 (4.51125e-06% change) linmin: converged after 3 iterations. iteration 540: trace = 2.451805694770904 (5.9292e-06% change) linmin: converged after 3 iterations. iteration 541: trace = 2.45180551485643 (7.33804e-06% change) linmin: converged after 3 iterations. iteration 542: trace = 2.45180519789092 (1.29278e-05% change) linmin: converged after 5 iterations. iteration 543: trace = 2.451805085639186 (4.57833e-06% change) large trace change predicted (1.22654e-05%) linmin: converged after 3 iterations. iteration 544: trace = 2.451804784802842 (1.227e-05% change) linmin: converged after 4 iterations. iteration 545: trace = 2.45180449718559 (1.17308e-05% change) linmin: converged after 4 iterations. iteration 546: trace = 2.451804345794657 (6.17467e-06% change) linmin: converged after 4 iterations. iteration 547: trace = 2.451804065164666 (1.14459e-05% change) linmin: converged after 3 iterations. iteration 548: trace = 2.451803697266883 (1.50052e-05% change) linmin: converged after 4 iterations. iteration 549: trace = 2.451803507750984 (7.72965e-06% change) linmin: converged after 4 iterations. iteration 550: trace = 2.451803423903701 (3.41982e-06% change) large trace change predicted (9.1367e-06%) linmin: converged after 4 iterations. iteration 551: trace = 2.451803199855364 (9.1381e-06% change) linmin: converged after 14 iterations. iteration 552: trace = 2.451803155076162 (1.82638e-06% change) large trace change predicted (4.78125e-06%) linmin: converged after 2 iterations. iteration 553: trace = 2.451803037843257 (4.7815e-06% change) linmin: converged after 3 iterations. iteration 554: trace = 2.451802941600485 (3.92539e-06% change) linmin: converged after 3 iterations. iteration 555: trace = 2.451802840511119 (4.12306e-06% change) linmin: converged after 5 iterations. iteration 556: trace = 2.451802762045059 (3.20034e-06% change) large trace change predicted (1.34886e-05%) linmin: converged after 2 iterations. iteration 557: trace = 2.451802431305149 (1.34897e-05% change) linmin: converged after 4 iterations. iteration 558: trace = 2.451802333627822 (3.9839e-06% change) large trace change predicted (2.98762e-05%) linmin: converged after 4 iterations. iteration 559: trace = 2.451801601086465 (2.98777e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.451801153491394 (1.82558e-05% change) linmin: converged after 4 iterations. iteration 561: trace = 2.45180108374121 (2.84485e-06% change) large trace change predicted (1.01516e-05%) linmin: converged after 4 iterations. iteration 562: trace = 2.451800834854224 (1.01512e-05% change) linmin: converged after 3 iterations. iteration 563: trace = 2.451800745417124 (3.64781e-06% change) linmin: converged after 3 iterations. iteration 564: trace = 2.451800646513976 (4.0339e-06% change) linmin: converged after 3 iterations. iteration 565: trace = 2.451800512467677 (5.46726e-06% change) linmin: converged after 2 iterations. iteration 566: trace = 2.451800411762568 (4.10739e-06% change) linmin: converged after 4 iterations. iteration 567: trace = 2.451800347132134 (2.63604e-06% change) large trace change predicted (8.23316e-06%) linmin: converged after 4 iterations. iteration 568: trace = 2.451800145289141 (8.23244e-06% change) linmin: converged after 3 iterations. iteration 569: trace = 2.451800106853036 (1.56767e-06% change) large trace change predicted (5.14584e-06%) linmin: converged after 3 iterations. iteration 570: trace = 2.451799980693867 (5.14557e-06% change) linmin: converged after 4 iterations. iteration 571: trace = 2.451799882626001 (3.99983e-06% change) linmin: converged after 5 iterations. iteration 572: trace = 2.451799828486288 (2.20816e-06% change) linmin: converged after 3 iterations. iteration 573: trace = 2.451799727720482 (4.10987e-06% change) linmin: converged after 7 iterations. iteration 574: trace = 2.451799594202265 (5.44572e-06% change) linmin: converged after 16 iterations. iteration 575: trace = 2.451799496038755 (4.00373e-06% change) linmin: converged after 3 iterations. iteration 576: trace = 2.451799318106548 (7.25721e-06% change) linmin: converged after 4 iterations. iteration 577: trace = 2.451799026272029 (1.19029e-05% change) linmin: converged after 2 iterations. iteration 578: trace = 2.451798953869357 (2.95304e-06% change) large trace change predicted (8.88296e-06%) linmin: converged after 4 iterations. iteration 579: trace = 2.451798736137125 (8.88051e-06% change) linmin: converged after 3 iterations. iteration 580: trace = 2.451798579490022 (6.38907e-06% change) linmin: converged after 3 iterations. iteration 581: trace = 2.451798522258595 (2.33426e-06% change) linmin: converged after 7 iterations. iteration 582: trace = 2.451798446005962 (3.11007e-06% change) linmin: converged after 3 iterations. iteration 583: trace = 2.451798380702826 (2.66348e-06% change) linmin: converged after 10 iterations. iteration 584: trace = 2.451798361601048 (7.79093e-07% change) large trace change predicted (1.6686e-06%) linmin: converged after 12 iterations. iteration 585: trace = 2.451798320687891 (1.6687e-06% change) linmin: converged after 29 iterations. iteration 586: trace = 2.451798269075065 (2.1051e-06% change) linmin: converged after 4 iterations. iteration 587: trace = 2.451798249597147 (7.94434e-07% change) large trace change predicted (2.10791e-06%) linmin: converged after 2 iterations. iteration 588: trace = 2.451798197910782 (2.1081e-06% change) linmin: converged after 3 iterations. iteration 589: trace = 2.451798103202622 (3.8628e-06% change) linmin: converged after 23 iterations. iteration 590: trace = 2.45179806636828 (1.50234e-06% change) large trace change predicted (6.38346e-06%) linmin: converged after 5 iterations. iteration 591: trace = 2.451797909799967 (6.38586e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.451797700825857 (8.5233e-06% change) linmin: converged after 3 iterations. iteration 593: trace = 2.451797650701557 (2.04439e-06% change) large trace change predicted (7.16465e-06%) linmin: converged after 3 iterations. iteration 594: trace = 2.451797474999589 (7.16625e-06% change) linmin: converged after 4 iterations. iteration 595: trace = 2.45179736829139 (4.35224e-06% change) linmin: converged after 2 iterations. iteration 596: trace = 2.451797306593138 (2.51645e-06% change) large trace change predicted (6.90777e-06%) linmin: converged after 5 iterations. iteration 597: trace = 2.451797137200148 (6.90893e-06% change) linmin: converged after 3 iterations. iteration 598: trace = 2.451797018091173 (4.85803e-06% change) linmin: converged after 3 iterations. iteration 599: trace = 2.451796981007111 (1.51253e-06% change) linmin: converged after 3 iterations. iteration 600: trace = 2.451796914839586 (2.69874e-06% change) linmin: converged after 2 iterations. iteration 601: trace = 2.451796860366236 (2.22177e-06% change) linmin: converged after 16 iterations. iteration 602: trace = 2.45179683762685 (9.27458e-07% change) linmin: converged after 4 iterations. iteration 603: trace = 2.451796807430568 (1.2316e-06% change) linmin: converged after 5 iterations. iteration 604: trace = 2.451796775770115 (1.29132e-06% change) linmin: converged after 6 iterations. iteration 605: trace = 2.451796761812919 (5.69264e-07% change) large trace change predicted (2.80158e-06%) linmin: converged after 3 iterations. iteration 606: trace = 2.451796693126069 (2.80149e-06% change) linmin: converged after 4 iterations. iteration 607: trace = 2.451796637646316 (2.26282e-06% change) linmin: converged after 3 iterations. iteration 608: trace = 2.451796589005789 (1.98387e-06% change) linmin: converged after 17 iterations. iteration 609: trace = 2.45179650894177 (3.26552e-06% change) linmin: converged after 3 iterations. iteration 610: trace = 2.451796416142364 (3.78496e-06% change) linmin: converged after 5 iterations. iteration 611: trace = 2.451796380774903 (1.44251e-06% change) large trace change predicted (3.91269e-06%) linmin: converged after 6 iterations. iteration 612: trace = 2.451796284848199 (3.91251e-06% change) linmin: converged after 17 iterations. iteration 613: trace = 2.451796197580161 (3.55935e-06% change) linmin: converged after 3 iterations. iteration 614: trace = 2.451796159506312 (1.5529e-06% change) large trace change predicted (4.1946e-06%) linmin: converged after 2 iterations. iteration 615: trace = 2.451796056662793 (4.19462e-06% change) linmin: converged after 3 iterations. iteration 616: trace = 2.451796008460974 (1.96598e-06% change) linmin: converged after 4 iterations. iteration 617: trace = 2.451795934751596 (3.00634e-06% change) linmin: converged after 3 iterations. iteration 618: trace = 2.451795871899575 (2.56351e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.451795799550017 (2.95088e-06% change) linmin: converged after 4 iterations. iteration 620: trace = 2.451795778367173 (8.63973e-07% change) large trace change predicted (2.31433e-06%) linmin: converged after 3 iterations. iteration 621: trace = 2.45179572162593 (2.31427e-06% change) linmin: converged after 18 iterations. iteration 622: trace = 2.451795708207833 (5.47276e-07% change) linmin: converged after 2 iterations. iteration 623: trace = 2.451795690512415 (7.21733e-07% change) linmin: converged after 2 iterations. iteration 624: trace = 2.451795663740037 (1.09195e-06% change) linmin: converged after 2 iterations. iteration 625: trace = 2.451795636314248 (1.1186e-06% change) linmin: converged after 3 iterations. iteration 626: trace = 2.451795612065196 (9.89032e-07% change) linmin: converged after 4 iterations. iteration 627: trace = 2.451795578668878 (1.36212e-06% change) linmin: converged after 6 iterations. iteration 628: trace = 2.451795549344755 (1.19603e-06% change) linmin: converged after 3 iterations. iteration 629: trace = 2.45179552683532 (9.1808e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.45179550633759 (8.36029e-07% change) linmin: converged after 3 iterations. iteration 631: trace = 2.451795483086964 (9.4831e-07% change) linmin: converged after 2 iterations. iteration 632: trace = 2.451795454197489 (1.1783e-06% change) linmin: converged after 4 iterations. iteration 633: trace = 2.451795436678621 (7.14532e-07% change) linmin: converged after 2 iterations. iteration 634: trace = 2.451795407830215 (1.17662e-06% change) linmin: converged after 2 iterations. iteration 635: trace = 2.451795381449867 (1.07596e-06% change) linmin: converged after 3 iterations. iteration 636: trace = 2.45179537268668 (3.57419e-07% change) large trace change predicted (9.79051e-07%) linmin: converged after 2 iterations. iteration 637: trace = 2.45179534868218 (9.79058e-07% change) linmin: converged after 3 iterations. iteration 638: trace = 2.451795308279801 (1.64787e-06% change) linmin: converged after 20 iterations. iteration 639: trace = 2.451795293393064 (6.07177e-07% change) large trace change predicted (2.127e-06%) linmin: converged after 4 iterations. iteration 640: trace = 2.451795241240033 (2.12714e-06% change) linmin: converged after 4 iterations. iteration 641: trace = 2.451795195211573 (1.87734e-06% change) linmin: converged after 4 iterations. iteration 642: trace = 2.451795176314502 (7.70744e-07% change) large trace change predicted (2.72894e-06%) linmin: converged after 3 iterations. iteration 643: trace = 2.451795109405027 (2.729e-06% change) linmin: converged after 2 iterations. iteration 644: trace = 2.451795045225142 (2.61767e-06% change) linmin: converged after 3 iterations. iteration 645: trace = 2.451795018719291 (1.08108e-06% change) large trace change predicted (3.91316e-06%) linmin: converged after 3 iterations. iteration 646: trace = 2.451794922770125 (3.91343e-06% change) linmin: converged after 3 iterations. iteration 647: trace = 2.451794862899225 (2.44192e-06% change) linmin: converged after 5 iterations. iteration 648: trace = 2.451794837946719 (1.01772e-06% change) large trace change predicted (3.91294e-06%) linmin: converged after 19 iterations. iteration 649: trace = 2.451794742003182 (3.9132e-06% change) linmin: converged after 2 iterations. iteration 650: trace = 2.451794686975485 (2.24438e-06% change) linmin: converged after 10 iterations. iteration 651: trace = 2.451794667568173 (7.91555e-07% change) large trace change predicted (2.73197e-06%) linmin: converged after 2 iterations. iteration 652: trace = 2.451794600583064 (2.73208e-06% change) linmin: converged after 2 iterations. iteration 653: trace = 2.451794557844939 (1.74314e-06% change) linmin: converged after 4 iterations. iteration 654: trace = 2.451794543115632 (6.00756e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.451794522327706 (8.47866e-07% change) linmin: converged after 5 iterations. iteration 656: trace = 2.451794492486638 (1.21711e-06% change) linmin: converged after 3 iterations. iteration 657: trace = 2.451794485169604 (2.98436e-07% change) large trace change predicted (1.75868e-06%) linmin: converged after 2 iterations. iteration 658: trace = 2.451794442048696 (1.75875e-06% change) linmin: converged after 7 iterations. iteration 659: trace = 2.451794407418552 (1.41244e-06% change) linmin: converged after 2 iterations. iteration 660: trace = 2.451794383113304 (9.91325e-07% change) large trace change predicted (2.37022e-06%) linmin: converged after 3 iterations. iteration 661: trace = 2.451794325004935 (2.37003e-06% change) linmin: converged after 4 iterations. iteration 662: trace = 2.451794254543248 (2.87388e-06% change) linmin: converged after 17 iterations. iteration 663: trace = 2.451794216688021 (1.54398e-06% change) linmin: converged after 25 iterations. iteration 664: trace = 2.451794164297232 (2.13683e-06% change) linmin: converged after 3 iterations. iteration 665: trace = 2.451794063633481 (4.10572e-06% change) linmin: converged after 4 iterations. iteration 666: trace = 2.451793942038218 (4.95944e-06% change) linmin: converged after 5 iterations. iteration 667: trace = 2.451793909579729 (1.32387e-06% change) large trace change predicted (4.14426e-06%) linmin: converged after 3 iterations. iteration 668: trace = 2.451793807989577 (4.1435e-06% change) linmin: converged after 3 iterations. iteration 669: trace = 2.451793769166152 (1.58347e-06% change) linmin: converged after 3 iterations. iteration 670: trace = 2.451793738676322 (1.24357e-06% change) linmin: converged after 3 iterations. iteration 671: trace = 2.451793697207118 (1.69138e-06% change) linmin: converged after 4 iterations. iteration 672: trace = 2.451793685346335 (4.83759e-07% change) large trace change predicted (1.00259e-06%) linmin: converged after 2 iterations. iteration 673: trace = 2.451793660764926 (1.00259e-06% change) linmin: converged after 7 iterations. iteration 674: trace = 2.45179364255815 (7.4259e-07% change) linmin: converged after 19 iterations. iteration 675: trace = 2.451793634650099 (3.22541e-07% change) large trace change predicted (1.26364e-06%) linmin: converged after 23 iterations. iteration 676: trace = 2.451793603667983 (1.26365e-06% change) linmin: converged after 3 iterations. iteration 677: trace = 2.451793553949058 (2.02786e-06% change) linmin: converged after 5 iterations. iteration 678: trace = 2.451793533992017 (8.13977e-07% change) linmin: converged after 11 iterations. iteration 679: trace = 2.451793496294306 (1.53756e-06% change) large trace change predicted (4.19031e-06%) linmin: converged after 4 iterations. iteration 680: trace = 2.451793393536344 (4.19113e-06% change) linmin: converged after 3 iterations. iteration 681: trace = 2.45179336580716 (1.13098e-06% change) large trace change predicted (4.21856e-06%) linmin: converged after 4 iterations. iteration 682: trace = 2.451793262353742 (4.2195e-06% change) linmin: converged after 4 iterations. iteration 683: trace = 2.451793181731778 (3.28829e-06% change) linmin: converged after 4 iterations. iteration 684: trace = 2.451793157187403 (1.00108e-06% change) large trace change predicted (2.22357e-06%) linmin: converged after 3 iterations. iteration 685: trace = 2.451793102666251 (2.22373e-06% change) linmin: converged after 4 iterations. iteration 686: trace = 2.451793049653916 (2.16219e-06% change) linmin: converged after 2 iterations. iteration 687: trace = 2.451793025429164 (9.88042e-07% change) linmin: converged after 3 iterations. iteration 688: trace = 2.4517929878891 (1.53113e-06% change) linmin: converged after 2 iterations. iteration 689: trace = 2.451792940549093 (1.93083e-06% change) linmin: converged after 6 iterations. iteration 690: trace = 2.451792915883914 (1.00601e-06% change) linmin: converged after 19 iterations. iteration 691: trace = 2.451792876064795 (1.62408e-06% change) linmin: converged after 4 iterations. iteration 692: trace = 2.451792838345648 (1.53843e-06% change) linmin: converged after 3 iterations. iteration 693: trace = 2.451792826915167 (4.66209e-07% change) large trace change predicted (1.79506e-06%) linmin: converged after 4 iterations. iteration 694: trace = 2.45179278290272 (1.79511e-06% change) linmin: converged after 3 iterations. iteration 695: trace = 2.451792747438423 (1.44646e-06% change) linmin: converged after 5 iterations. iteration 696: trace = 2.451792716364385 (1.2674e-06% change) linmin: converged after 2 iterations. iteration 697: trace = 2.451792665784828 (2.06296e-06% change) linmin: converged after 2 iterations. iteration 698: trace = 2.451792565258818 (4.1001e-06% change) linmin: converged after 3 iterations. iteration 699: trace = 2.45179236980796 (7.97175e-06% change) resetting CG direction... linmin: converged after 5 iterations. iteration 700: trace = 2.451792265840784 (4.24046e-06% change) linmin: converged after 3 iterations. iteration 701: trace = 2.451792191930716 (3.01453e-06% change) linmin: converged after 2 iterations. iteration 702: trace = 2.451792148664044 (1.7647e-06% change) linmin: converged after 13 iterations. iteration 703: trace = 2.451792122137848 (1.08191e-06% change) large trace change predicted (2.81916e-06%) linmin: converged after 3 iterations. iteration 704: trace = 2.451792053020108 (2.81907e-06% change) linmin: converged after 5 iterations. iteration 705: trace = 2.451792027058153 (1.0589e-06% change) linmin: converged after 2 iterations. iteration 706: trace = 2.45179201006231 (6.93201e-07% change) large trace change predicted (1.91178e-06%) linmin: converged after 3 iterations. iteration 707: trace = 2.451791963190513 (1.91174e-06% change) linmin: converged after 4 iterations. iteration 708: trace = 2.451791954954061 (3.35936e-07% change) large trace change predicted (1.13734e-06%) linmin: converged after 3 iterations. iteration 709: trace = 2.451791927069571 (1.13731e-06% change) linmin: converged after 3 iterations. iteration 710: trace = 2.451791905694446 (8.71816e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.45179189536726 (4.2121e-07% change) large trace change predicted (9.59289e-07%) linmin: converged after 3 iterations. iteration 712: trace = 2.45179187184791 (9.59272e-07% change) linmin: converged after 25 iterations. iteration 713: trace = 2.45179183881496 (1.3473e-06% change) linmin: converged after 2 iterations. iteration 714: trace = 2.451791828748036 (4.10595e-07% change) large trace change predicted (1.72028e-06%) linmin: converged after 7 iterations. iteration 715: trace = 2.45179178657364 (1.72015e-06% change) linmin: converged after 16 iterations. iteration 716: trace = 2.451791739505495 (1.91974e-06% change) linmin: converged after 5 iterations. iteration 717: trace = 2.451791726865672 (5.15534e-07% change) large trace change predicted (2.28472e-06%) linmin: converged after 3 iterations. iteration 718: trace = 2.451791670854469 (2.2845e-06% change) linmin: converged after 19 iterations. iteration 719: trace = 2.451791623146107 (1.94586e-06% change) linmin: converged after 5 iterations. iteration 720: trace = 2.451791604248033 (7.70786e-07% change) linmin: converged after 20 iterations. iteration 721: trace = 2.451791578522004 (1.04927e-06% change) linmin: converged after 5 iterations. iteration 722: trace = 2.45179154531984 (1.3542e-06% change) linmin: converged after 3 iterations. iteration 723: trace = 2.45179154001316 (2.16441e-07% change) large trace change predicted (1.04398e-06%) linmin: converged after 7 iterations. iteration 724: trace = 2.451791514417294 (1.04397e-06% change) linmin: converged after 2 iterations. iteration 725: trace = 2.451791499697777 (6.00358e-07% change) linmin: converged after 6 iterations. iteration 726: trace = 2.451791490821247 (3.62043e-07% change) linmin: converged after 21 iterations. iteration 727: trace = 2.451791479182166 (4.74717e-07% change) linmin: converged after 20 iterations. iteration 728: trace = 2.451791468603028 (4.31486e-07% change) linmin: converged after 22 iterations. iteration 729: trace = 2.451791463214177 (2.19792e-07% change) large trace change predicted (4.4337e-07%) linmin: converged after 4 iterations. iteration 730: trace = 2.451791452343017 (4.43397e-07% change) linmin: converged after 13 iterations. iteration 731: trace = 2.451791433208534 (7.80429e-07% change) linmin: converged after 3 iterations. iteration 732: trace = 2.451791427326031 (2.39927e-07% change) large trace change predicted (1.51442e-06%) linmin: converged after 3 iterations. iteration 733: trace = 2.451791390191013 (1.51461e-06% change) linmin: converged after 3 iterations. iteration 734: trace = 2.451791339090589 (2.08421e-06% change) linmin: converged after 4 iterations. iteration 735: trace = 2.451791314687017 (9.95336e-07% change) linmin: converged after 6 iterations. iteration 736: trace = 2.4517912856032 (1.18623e-06% change) linmin: converged after 3 iterations. iteration 737: trace = 2.451791227755417 (2.35941e-06% change) linmin: converged after 2 iterations. iteration 738: trace = 2.451791216222877 (4.70372e-07% change) large trace change predicted (1.06006e-06%) linmin: converged after 27 iterations. iteration 739: trace = 2.451791190230289 (1.06015e-06% change) linmin: converged after 5 iterations. iteration 740: trace = 2.451791175816381 (5.87893e-07% change) linmin: converged after 4 iterations. iteration 741: trace = 2.451791171007147 (1.96152e-07% change) large trace change predicted (4.24916e-07%) linmin: converged after 7 iterations. iteration 742: trace = 2.451791160588906 (4.24924e-07% change) linmin: converged after 4 iterations. iteration 743: trace = 2.451791150675575 (4.0433e-07% change) linmin: converged after 4 iterations. iteration 744: trace = 2.451791145408891 (2.1481e-07% change) linmin: converged after 3 iterations. iteration 745: trace = 2.451791137991258 (3.02539e-07% change) large trace change predicted (6.95864e-07%) linmin: converged after 3 iterations. iteration 746: trace = 2.451791120930879 (6.95833e-07% change) linmin: converged after 26 iterations. iteration 747: trace = 2.451791117822212 (1.26792e-07% change) large trace change predicted (7.7344e-07%) linmin: converged after 3 iterations. iteration 748: trace = 2.451791098859697 (7.73415e-07% change) linmin: converged after 4 iterations. iteration 749: trace = 2.451791091886388 (2.84417e-07% change) linmin: converged after 4 iterations. iteration 750: trace = 2.451791081648536 (4.17566e-07% change) large trace change predicted (8.54253e-07%) linmin: converged after 9 iterations. iteration 751: trace = 2.451791060704737 (8.54224e-07% change) linmin: converged after 2 iterations. iteration 752: trace = 2.451791041158371 (7.97228e-07% change) linmin: converged after 3 iterations. iteration 753: trace = 2.451791032627479 (3.47945e-07% change) large trace change predicted (1.04605e-06%) linmin: converged after 2 iterations. iteration 754: trace = 2.451791006980357 (1.04606e-06% change) linmin: converged after 4 iterations. iteration 755: trace = 2.451790980819919 (1.06699e-06% change) linmin: converged after 4 iterations. iteration 756: trace = 2.451790974218321 (2.69256e-07% change) large trace change predicted (1.11218e-06%) linmin: converged after 3 iterations. iteration 757: trace = 2.451790946951377 (1.11212e-06% change) linmin: converged after 3 iterations. iteration 758: trace = 2.451790925440033 (8.77373e-07% change) linmin: converged after 13 iterations. iteration 759: trace = 2.451790920711863 (1.92846e-07% change) large trace change predicted (4.36471e-07%) linmin: converged after 8 iterations. iteration 760: trace = 2.45179091001081 (4.36459e-07% change) linmin: converged after 8 iterations. iteration 761: trace = 2.451790900670096 (3.80975e-07% change) linmin: converged after 4 iterations. iteration 762: trace = 2.451790898448133 (9.06261e-08% change) large trace change predicted (2.66754e-07%) linmin: converged after 2 iterations. iteration 763: trace = 2.451790891907878 (2.66754e-07% change) linmin: converged after 11 iterations. iteration 764: trace = 2.451790884721091 (2.93124e-07% change) linmin: converged after 7 iterations. iteration 765: trace = 2.451790882029681 (1.09773e-07% change) large trace change predicted (4.53892e-07%) linmin: converged after 22 iterations. iteration 766: trace = 2.451790870901434 (4.53882e-07% change) linmin: converged after 3 iterations. iteration 767: trace = 2.451790862651265 (3.36496e-07% change) linmin: converged after 3 iterations. iteration 768: trace = 2.451790859943585 (1.10437e-07% change) linmin: converged after 9 iterations. iteration 769: trace = 2.451790854622261 (2.17038e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.451790850736156 (1.58501e-07% change) linmin: converged after 3 iterations. iteration 771: trace = 2.451790848780821 (7.97513e-08% change) large trace change predicted (2.8187e-07%) linmin: converged after 2 iterations. iteration 772: trace = 2.451790841869923 (2.81871e-07% change) linmin: converged after 24 iterations. iteration 773: trace = 2.45179083449406 (3.00836e-07% change) linmin: converged after 3 iterations. iteration 774: trace = 2.451790830224255 (1.7415e-07% change) large trace change predicted (3.49862e-07%) linmin: converged after 2 iterations. iteration 775: trace = 2.451790821646288 (3.49865e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.451790817590084 (1.65438e-07% change) linmin: converged after 5 iterations. iteration 777: trace = 2.451790812697268 (1.99561e-07% change) linmin: converged after 3 iterations. iteration 778: trace = 2.451790804441738 (3.36714e-07% change) linmin: converged after 5 iterations. iteration 779: trace = 2.451790799474577 (2.02593e-07% change) linmin: converged after 2 iterations. iteration 780: trace = 2.451790793746871 (2.33613e-07% change) large trace change predicted (7.06209e-07%) linmin: converged after 10 iterations. iteration 781: trace = 2.451790776431223 (7.06245e-07% change) linmin: converged after 9 iterations. iteration 782: trace = 2.451790763844448 (5.13371e-07% change) linmin: converged after 4 iterations. iteration 783: trace = 2.451790754432425 (3.83884e-07% change) large trace change predicted (8.1418e-07%) linmin: converged after 4 iterations. iteration 784: trace = 2.451790734469889 (8.14202e-07% change) linmin: converged after 6 iterations. iteration 785: trace = 2.451790725902935 (3.49416e-07% change) large trace change predicted (7.13664e-07%) linmin: converged after 22 iterations. iteration 786: trace = 2.451790708405207 (7.13671e-07% change) linmin: converged after 2 iterations. iteration 787: trace = 2.451790688069498 (8.29423e-07% change) linmin: converged after 13 iterations. iteration 788: trace = 2.451790676621194 (4.66936e-07% change) linmin: converged after 19 iterations. iteration 789: trace = 2.451790666951052 (3.94411e-07% change) linmin: converged after 7 iterations. iteration 790: trace = 2.45179065530475 (4.75012e-07% change) linmin: converged after 9 iterations. iteration 791: trace = 2.451790645464281 (4.01358e-07% change) linmin: converged after 3 iterations. iteration 792: trace = 2.451790640268372 (2.11923e-07% change) large trace change predicted (4.37856e-07%) linmin: converged after 3 iterations. iteration 793: trace = 2.451790629532549 (4.37877e-07% change) linmin: converged after 6 iterations. iteration 794: trace = 2.451790625486887 (1.65008e-07% change) linmin: converged after 7 iterations. iteration 795: trace = 2.451790621763671 (1.51857e-07% change) large trace change predicted (3.92591e-07%) linmin: converged after 5 iterations. iteration 796: trace = 2.451790612137841 (3.92604e-07% change) linmin: converged after 3 iterations. iteration 797: trace = 2.451790610497388 (6.69084e-08% change) large trace change predicted (3.81881e-07%) linmin: converged after 4 iterations. iteration 798: trace = 2.451790601134438 (3.81882e-07% change) linmin: converged after 10 iterations. iteration 799: trace = 2.451790592150075 (3.66441e-07% change) linmin: converged after 13 iterations. iteration 800: trace = 2.451790580991582 (4.55116e-07% change) linmin: converged after 4 iterations. iteration 801: trace = 2.451790575201232 (2.36168e-07% change) large trace change predicted (6.60894e-07%) linmin: converged after 2 iterations. iteration 802: trace = 2.451790558997469 (6.60895e-07% change) linmin: converged after 4 iterations. iteration 803: trace = 2.45179053723362 (8.87672e-07% change) linmin: converged after 6 iterations. iteration 804: trace = 2.451790529390748 (3.19883e-07% change) large trace change predicted (1.39634e-06%) linmin: converged after 4 iterations. iteration 805: trace = 2.451790495160123 (1.39615e-06% change) linmin: converged after 8 iterations. iteration 806: trace = 2.451790481076751 (5.74412e-07% change) linmin: converged after 3 iterations. iteration 807: trace = 2.451790459563808 (8.77438e-07% change) linmin: converged after 3 iterations. iteration 808: trace = 2.451790446342061 (5.39269e-07% change) linmin: converged after 4 iterations. iteration 809: trace = 2.451790440342123 (2.44717e-07% change) linmin: converged after 4 iterations. iteration 810: trace = 2.451790435433245 (2.00216e-07% change) linmin: converged after 3 iterations. iteration 811: trace = 2.451790428497347 (2.82891e-07% change) linmin: converged after 8 iterations. iteration 812: trace = 2.451790426597656 (7.74818e-08% change) large trace change predicted (2.46463e-07%) linmin: converged after 4 iterations. iteration 813: trace = 2.451790420554907 (2.46463e-07% change) linmin: converged after 4 iterations. iteration 814: trace = 2.451790415291416 (2.14679e-07% change) linmin: converged after 3 iterations. iteration 815: trace = 2.451790413150698 (8.73125e-08% change) large trace change predicted (4.66979e-07%) linmin: converged after 7 iterations. iteration 816: trace = 2.451790401701011 (4.66993e-07% change) linmin: converged after 3 iterations. iteration 817: trace = 2.451790388313961 (5.46011e-07% change) linmin: converged after 4 iterations. iteration 818: trace = 2.451790382630603 (2.31804e-07% change) large trace change predicted (5.34739e-07%) linmin: converged after 11 iterations. iteration 819: trace = 2.451790369519399 (5.3476e-07% change) linmin: converged after 9 iterations. iteration 820: trace = 2.451790348938323 (8.3943e-07% change) linmin: converged after 6 iterations. iteration 821: trace = 2.451790333163449 (6.43402e-07% change) linmin: converged after 8 iterations. iteration 822: trace = 2.45179032403559 (3.72294e-07% change) large trace change predicted (7.81578e-07%) linmin: converged after 14 iterations. iteration 823: trace = 2.451790304871935 (7.81619e-07% change) linmin: converged after 5 iterations. iteration 824: trace = 2.451790295531658 (3.80957e-07% change) linmin: converged after 2 iterations. iteration 825: trace = 2.451790285744269 (3.99194e-07% change) linmin: converged after 11 iterations. iteration 826: trace = 2.451790272061595 (5.58069e-07% change) linmin: converged after 6 iterations. iteration 827: trace = 2.451790266942433 (2.08793e-07% change) linmin: converged after 5 iterations. iteration 828: trace = 2.451790258678502 (3.37057e-07% change) linmin: converged after 3 iterations. iteration 829: trace = 2.451790247271042 (4.65271e-07% change) linmin: converged after 2 iterations. iteration 830: trace = 2.451790244311814 (1.20697e-07% change) large trace change predicted (3.56888e-07%) linmin: converged after 3 iterations. iteration 831: trace = 2.45179023556167 (3.56888e-07% change) linmin: converged after 25 iterations. iteration 832: trace = 2.45179022555658 (4.08073e-07% change) linmin: converged after 7 iterations. iteration 833: trace = 2.451790222941453 (1.06662e-07% change) large trace change predicted (2.88187e-07%) linmin: converged after 4 iterations. iteration 834: trace = 2.451790215875715 (2.88187e-07% change) large trace change predicted (6.82744e-07%) linmin: converged after 3 iterations. iteration 835: trace = 2.451790199135536 (6.82774e-07% change) linmin: converged after 2 iterations. iteration 836: trace = 2.451790194475009 (1.90087e-07% change) large trace change predicted (8.45349e-07%) linmin: converged after 3 iterations. iteration 837: trace = 2.451790173748307 (8.4537e-07% change) linmin: converged after 10 iterations. iteration 838: trace = 2.45179015497831 (7.65563e-07% change) linmin: converged after 16 iterations. iteration 839: trace = 2.451790141766932 (5.38846e-07% change) resetting CG direction... linmin: converged after 10 iterations. iteration 840: trace = 2.451790130652822 (4.53306e-07% change) linmin: converged after 3 iterations. iteration 841: trace = 2.451790117578799 (5.33244e-07% change) linmin: converged after 3 iterations. iteration 842: trace = 2.451790101719007 (6.46866e-07% change) linmin: converged after 25 iterations. iteration 843: trace = 2.451790097671424 (1.65087e-07% change) large trace change predicted (5.1677e-07%) linmin: converged after 3 iterations. iteration 844: trace = 2.451790085002 (5.16742e-07% change) linmin: converged after 5 iterations. iteration 845: trace = 2.451790075364461 (3.93082e-07% change) linmin: converged after 4 iterations. iteration 846: trace = 2.451790072195899 (1.29235e-07% change) large trace change predicted (4.12186e-07%) linmin: converged after 3 iterations. iteration 847: trace = 2.451790062090133 (4.12179e-07% change) linmin: converged after 17 iterations. iteration 848: trace = 2.451790058926191 (1.29046e-07% change) large trace change predicted (2.63649e-07%) linmin: converged after 5 iterations. iteration 849: trace = 2.451790052462258 (2.63641e-07% change) linmin: converged after 3 iterations. iteration 850: trace = 2.451790046396517 (2.47401e-07% change) linmin: converged after 8 iterations. iteration 851: trace = 2.451790043367849 (1.23529e-07% change) linmin: converged after 3 iterations. iteration 852: trace = 2.451790039269316 (1.67165e-07% change) large trace change predicted (3.34821e-07%) linmin: converged after 7 iterations. iteration 853: trace = 2.45179003106038 (3.34814e-07% change) linmin: converged after 24 iterations. iteration 854: trace = 2.451790024970796 (2.48373e-07% change) linmin: converged after 5 iterations. iteration 855: trace = 2.451790017007872 (3.2478e-07% change) linmin: converged after 3 iterations. iteration 856: trace = 2.451790004551986 (5.08032e-07% change) linmin: converged after 4 iterations. iteration 857: trace = 2.451790000272914 (1.74528e-07% change) large trace change predicted (5.59857e-07%) linmin: converged after 17 iterations. iteration 858: trace = 2.451789986547154 (5.59826e-07% change) linmin: converged after 5 iterations. iteration 859: trace = 2.451789975362655 (4.56177e-07% change) linmin: converged after 4 iterations. iteration 860: trace = 2.451789968005178 (3.00086e-07% change) linmin: converged after 4 iterations. iteration 861: trace = 2.45178996537633 (1.07222e-07% change) large trace change predicted (3.42951e-07%) linmin: converged after 22 iterations. iteration 862: trace = 2.451789956968089 (3.42943e-07% change) linmin: converged after 3 iterations. iteration 863: trace = 2.451789951005074 (2.43211e-07% change) linmin: converged after 6 iterations. iteration 864: trace = 2.451789948906951 (8.55751e-08% change) linmin: converged after 4 iterations. iteration 865: trace = 2.451789945675188 (1.31812e-07% change) linmin: converged after 3 iterations. iteration 866: trace = 2.451789943217673 (1.00233e-07% change) linmin: converged after 3 iterations. iteration 867: trace = 2.451789940823766 (9.76391e-08% change) linmin: converged after 5 iterations. iteration 868: trace = 2.451789938148882 (1.09099e-07% change) linmin: converged after 7 iterations. iteration 869: trace = 2.451789935455995 (1.09834e-07% change) linmin: converged after 29 iterations. iteration 870: trace = 2.451789933603409 (7.55606e-08% change) large trace change predicted (2.08614e-07%) linmin: converged after 16 iterations. iteration 871: trace = 2.45178992848846 (2.08621e-07% change) linmin: converged after 7 iterations. iteration 872: trace = 2.451789920896306 (3.09658e-07% change) linmin: converged after 3 iterations. iteration 873: trace = 2.451789917419556 (1.41805e-07% change) large trace change predicted (5.71054e-07%) linmin: converged after 3 iterations. iteration 874: trace = 2.45178990341708 (5.71112e-07% change) linmin: converged after 3 iterations. iteration 875: trace = 2.451789896518359 (2.81375e-07% change) linmin: converged after 6 iterations. iteration 876: trace = 2.451789889618854 (2.81407e-07% change) linmin: converged after 2 iterations. iteration 877: trace = 2.451789877036018 (5.1321e-07% change) linmin: converged after 2 iterations. iteration 878: trace = 2.451789870349878 (2.72704e-07% change) linmin: converged after 4 iterations. iteration 879: trace = 2.451789867664974 (1.09508e-07% change) linmin: converged after 21 iterations. iteration 880: trace = 2.451789864008951 (1.49116e-07% change) linmin: converged after 3 iterations. iteration 881: trace = 2.451789861036756 (1.21226e-07% change) linmin: converged after 4 iterations. iteration 882: trace = 2.451789860313866 (2.94842e-08% change) large trace change predicted (1.22215e-07%) linmin: converged after 4 iterations. iteration 883: trace = 2.451789857317415 (1.22215e-07% change) linmin: converged after 4 iterations. iteration 884: trace = 2.451789855887223 (5.83326e-08% change) linmin: converged after 2 iterations. iteration 885: trace = 2.451789854389887 (6.10711e-08% change) large trace change predicted (1.73986e-07%) linmin: converged after 4 iterations. iteration 886: trace = 2.45178985012418 (1.73983e-07% change) linmin: converged after 19 iterations. iteration 887: trace = 2.451789846931467 (1.3022e-07% change) linmin: converged after 4 iterations. iteration 888: trace = 2.451789844577092 (9.60267e-08% change) linmin: converged after 3 iterations. iteration 889: trace = 2.451789841005948 (1.45655e-07% change) linmin: converged after 3 iterations. iteration 890: trace = 2.451789836952724 (1.65317e-07% change) linmin: converged after 4 iterations. iteration 891: trace = 2.451789834899375 (8.3749e-08% change) large trace change predicted (2.33956e-07%) linmin: converged after 7 iterations. iteration 892: trace = 2.45178982916333 (2.33953e-07% change) linmin: converged after 10 iterations. iteration 893: trace = 2.451789822425168 (2.74826e-07% change) linmin: converged after 14 iterations. iteration 894: trace = 2.451789820359948 (8.42332e-08% change) large trace change predicted (2.40574e-07%) linmin: converged after 11 iterations. iteration 895: trace = 2.451789814461608 (2.40573e-07% change) linmin: converged after 4 iterations. iteration 896: trace = 2.451789809322398 (2.09611e-07% change) linmin: converged after 3 iterations. iteration 897: trace = 2.451789807034282 (9.33243e-08% change) linmin: converged after 27 iterations. iteration 898: trace = 2.4517898026986 (1.76837e-07% change) linmin: converged after 4 iterations. iteration 899: trace = 2.451789799312174 (1.38121e-07% change) linmin: converged after 4 iterations. iteration 900: trace = 2.451789798438976 (3.56147e-08% change) large trace change predicted (1.16608e-07%) linmin: converged after 11 iterations. iteration 901: trace = 2.451789795580043 (1.16606e-07% change) linmin: converged after 4 iterations. iteration 902: trace = 2.45178979435659 (4.99004e-08% change) linmin: converged after 4 iterations. iteration 903: trace = 2.45178979329159 (4.34376e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.451789791283026 (8.19224e-08% change) linmin: converged after 3 iterations. iteration 905: trace = 2.451789789747027 (6.2648e-08% change) linmin: converged after 6 iterations. iteration 906: trace = 2.45178978823559 (6.16463e-08% change) linmin: converged after 8 iterations. iteration 907: trace = 2.451789786422252 (7.39598e-08% change) linmin: converged after 3 iterations. iteration 908: trace = 2.451789785136507 (5.24411e-08% change) linmin: converged after 3 iterations. iteration 909: trace = 2.451789784398787 (3.0089e-08% change) resetting CG direction... linmin: converged after 33 iterations. iteration 910: trace = 2.45178978372239 (2.75879e-08% change) linmin: converged after 3 iterations. iteration 911: trace = 2.451789782726463 (4.06204e-08% change) linmin: converged after 3 iterations. iteration 912: trace = 2.451789781212491 (6.17497e-08% change) linmin: converged after 7 iterations. iteration 913: trace = 2.451789779875948 (5.45129e-08% change) linmin: converged after 4 iterations. iteration 914: trace = 2.451789778625379 (5.10064e-08% change) linmin: converged after 2 iterations. iteration 915: trace = 2.451789776564825 (8.40429e-08% change) linmin: converged after 4 iterations. iteration 916: trace = 2.451789775371867 (4.86566e-08% change) linmin: converged after 3 iterations. iteration 917: trace = 2.451789774054313 (5.37384e-08% change) large trace change predicted (1.1113e-07%) linmin: converged after 3 iterations. iteration 918: trace = 2.451789771329607 (1.11131e-07% change) linmin: converged after 27 iterations. iteration 919: trace = 2.451789770574177 (3.08114e-08% change) large trace change predicted (9.94201e-08%) linmin: converged after 8 iterations. iteration 920: trace = 2.451789768136583 (9.9421e-08% change) linmin: converged after 21 iterations. iteration 921: trace = 2.451789765165151 (1.21194e-07% change) linmin: converged after 5 iterations. iteration 922: trace = 2.451789764039035 (4.59304e-08% change) large trace change predicted (1.71542e-07%) linmin: converged after 20 iterations. iteration 923: trace = 2.451789759833119 (1.71545e-07% change) linmin: converged after 4 iterations. iteration 924: trace = 2.451789755064095 (1.94512e-07% change) linmin: converged after 5 iterations. iteration 925: trace = 2.451789753301272 (7.18994e-08% change) large trace change predicted (2.41629e-07%) linmin: converged after 3 iterations. iteration 926: trace = 2.451789747377023 (2.4163e-07% change) linmin: converged after 3 iterations. iteration 927: trace = 2.451789743136205 (1.72968e-07% change) linmin: converged after 4 iterations. iteration 928: trace = 2.451789741484413 (6.73709e-08% change) large trace change predicted (1.71697e-07%) linmin: converged after 4 iterations. iteration 929: trace = 2.451789737274729 (1.71698e-07% change) linmin: converged after 10 iterations. iteration 930: trace = 2.451789734450408 (1.15194e-07% change) linmin: converged after 4 iterations. iteration 931: trace = 2.451789733233363 (4.9639e-08% change) large trace change predicted (1.07501e-07%) linmin: converged after 3 iterations. iteration 932: trace = 2.451789730597635 (1.07502e-07% change) linmin: converged after 7 iterations. iteration 933: trace = 2.451789727973979 (1.0701e-07% change) linmin: converged after 4 iterations. iteration 934: trace = 2.451789727193226 (3.18442e-08% change) linmin: converged after 11 iterations. iteration 935: trace = 2.451789725794567 (5.70465e-08% change) linmin: converged after 3 iterations. iteration 936: trace = 2.451789723405372 (9.7447e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.451789722618933 (3.20761e-08% change) large trace change predicted (7.73954e-08%) linmin: converged after 3 iterations. iteration 938: trace = 2.451789720721378 (7.73947e-08% change) linmin: converged after 16 iterations. iteration 939: trace = 2.451789718299249 (9.87903e-08% change) linmin: converged after 4 iterations. iteration 940: trace = 2.45178971719452 (4.5058e-08% change) large trace change predicted (1.45787e-07%) linmin: converged after 4 iterations. iteration 941: trace = 2.451789713620216 (1.45783e-07% change) linmin: converged after 4 iterations. iteration 942: trace = 2.451789708394984 (2.13119e-07% change) linmin: converged after 5 iterations. iteration 943: trace = 2.451789704353748 (1.64828e-07% change) linmin: converged after 3 iterations. iteration 944: trace = 2.451789702342172 (8.20452e-08% change) large trace change predicted (3.28493e-07%) linmin: converged after 20 iterations. iteration 945: trace = 2.451789694288807 (3.28469e-07% change) linmin: converged after 11 iterations. iteration 946: trace = 2.451789687656083 (2.70526e-07% change) linmin: converged after 4 iterations. iteration 947: trace = 2.451789685223355 (9.92225e-08% change) linmin: converged after 3 iterations. iteration 948: trace = 2.451789680907474 (1.7603e-07% change) linmin: converged after 4 iterations. iteration 949: trace = 2.451789678868922 (8.31455e-08% change) linmin: converged after 4 iterations. iteration 950: trace = 2.451789678173815 (2.8351e-08% change) linmin: converged after 10 iterations. iteration 951: trace = 2.451789676801328 (5.5979e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.45178967541773 (5.64322e-08% change) linmin: converged after 4 iterations. iteration 953: trace = 2.45178967492127 (2.02489e-08% change) large trace change predicted (5.11301e-08%) linmin: converged after 4 iterations. iteration 954: trace = 2.45178967366767 (5.113e-08% change) large trace change predicted (1.05106e-07%) linmin: converged after 19 iterations. iteration 955: trace = 2.451789671090639 (1.05108e-07% change) linmin: converged after 4 iterations. iteration 956: trace = 2.451789670085494 (4.09964e-08% change) large trace change predicted (1.68508e-07%) linmin: converged after 5 iterations. iteration 957: trace = 2.451789665953879 (1.68514e-07% change) linmin: converged after 3 iterations. iteration 958: trace = 2.451789663133067 (1.15051e-07% change) linmin: converged after 23 iterations. iteration 959: trace = 2.451789661467946 (6.79145e-08% change) large trace change predicted (1.98625e-07%) linmin: converged after 11 iterations. iteration 960: trace = 2.451789656597763 (1.98638e-07% change) linmin: converged after 22 iterations. iteration 961: trace = 2.451789652026789 (1.86434e-07% change) linmin: converged after 7 iterations. iteration 962: trace = 2.451789650084212 (7.9231e-08% change) large trace change predicted (1.94608e-07%) linmin: converged after 5 iterations. iteration 963: trace = 2.451789645312699 (1.94613e-07% change) linmin: converged after 2 iterations. iteration 964: trace = 2.451789642824902 (1.01469e-07% change) linmin: converged after 4 iterations. iteration 965: trace = 2.451789640346874 (1.0107e-07% change) linmin: converged after 7 iterations. iteration 966: trace = 2.451789637012786 (1.35986e-07% change) linmin: converged after 4 iterations. iteration 967: trace = 2.451789635615617 (5.69857e-08% change) linmin: converged after 8 iterations. iteration 968: trace = 2.451789633832326 (7.27343e-08% change) linmin: converged after 3 iterations. iteration 969: trace = 2.451789631345194 (1.01441e-07% change) linmin: converged after 7 iterations. iteration 970: trace = 2.451789628626759 (1.10876e-07% change) linmin: converged after 5 iterations. iteration 971: trace = 2.45178962806572 (2.28828e-08% change) large trace change predicted (1.01899e-07%) linmin: converged after 3 iterations. iteration 972: trace = 2.45178962556734 (1.019e-07% change) linmin: converged after 3 iterations. iteration 973: trace = 2.451789624377636 (4.85239e-08% change) linmin: converged after 4 iterations. iteration 974: trace = 2.451789622558809 (7.41837e-08% change) linmin: converged after 4 iterations. iteration 975: trace = 2.4517896190195 (1.44356e-07% change) linmin: converged after 6 iterations. iteration 976: trace = 2.451789614337821 (1.90949e-07% change) linmin: converged after 4 iterations. iteration 977: trace = 2.451789612451773 (7.69254e-08% change) large trace change predicted (1.92361e-07%) linmin: converged after 10 iterations. iteration 978: trace = 2.451789607735527 (1.92359e-07% change) large trace change predicted (5.90753e-07%) linmin: converged after 4 iterations. iteration 979: trace = 2.451789593251029 (5.90773e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.451789585678058 (3.08875e-07% change) linmin: converged after 10 iterations. iteration 981: trace = 2.45178958142829 (1.73333e-07% change) linmin: converged after 21 iterations. iteration 982: trace = 2.451789579193533 (9.1148e-08% change) linmin: converged after 7 iterations. iteration 983: trace = 2.451789576710129 (1.01289e-07% change) linmin: converged after 9 iterations. iteration 984: trace = 2.451789571854989 (1.98024e-07% change) linmin: converged after 4 iterations. iteration 985: trace = 2.451789569994678 (7.58756e-08% change) linmin: converged after 4 iterations. iteration 986: trace = 2.451789568186286 (7.3758e-08% change) linmin: converged after 3 iterations. iteration 987: trace = 2.451789565693987 (1.01652e-07% change) linmin: converged after 21 iterations. iteration 988: trace = 2.451789565351379 (1.39738e-08% change) large trace change predicted (5.4164e-08%) linmin: converged after 6 iterations. iteration 989: trace = 2.451789564023403 (5.41635e-08% change) linmin: converged after 3 iterations. iteration 990: trace = 2.451789562895927 (4.59859e-08% change) linmin: converged after 3 iterations. iteration 991: trace = 2.451789562012754 (3.60215e-08% change) linmin: converged after 6 iterations. iteration 992: trace = 2.45178956119363 (3.34093e-08% change) large trace change predicted (1.02683e-07%) linmin: converged after 5 iterations. iteration 993: trace = 2.451789558676108 (1.02681e-07% change) linmin: converged after 4 iterations. iteration 994: trace = 2.451789557848725 (3.37461e-08% change) large trace change predicted (9.42778e-08%) linmin: converged after 9 iterations. iteration 995: trace = 2.451789555537272 (9.42762e-08% change) linmin: converged after 7 iterations. iteration 996: trace = 2.45178955330259 (9.11449e-08% change) linmin: converged after 6 iterations. iteration 997: trace = 2.451789552371775 (3.79647e-08% change) large trace change predicted (9.25579e-08%) linmin: converged after 3 iterations. iteration 998: trace = 2.45178955010249 (9.25563e-08% change) linmin: converged after 18 iterations. iteration 999: trace = 2.451789548159242 (7.92583e-08% change) linmin: converged after 4 iterations. iteration 1000: trace = 2.451789546746675 (5.76137e-08% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.451789545196658 (6.32198e-08% change) linmin: converged after 21 iterations. iteration 1002: trace = 2.451789542106697 (1.26029e-07% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.451789541684409 (1.72237e-08% change) large trace change predicted (6.35029e-08%) linmin: converged after 6 iterations. iteration 1004: trace = 2.451789540127463 (6.35024e-08% change) linmin: converged after 4 iterations. iteration 1005: trace = 2.451789539327693 (3.26198e-08% change) linmin: converged after 5 iterations. iteration 1006: trace = 2.451789538984625 (1.39925e-08% change) linmin: converged after 23 iterations. iteration 1007: trace = 2.451789538315147 (2.73057e-08% change) linmin: converged after 4 iterations. iteration 1008: trace = 2.451789537595789 (2.93401e-08% change) linmin: converged after 5 iterations. iteration 1009: trace = 2.451789537373796 (9.05435e-09% change) large trace change predicted (2.14582e-08%) linmin: converged after 4 iterations. iteration 1010: trace = 2.451789536847683 (2.14583e-08% change) large trace change predicted (5.3587e-08%) linmin: converged after 13 iterations. iteration 1011: trace = 2.45178953553382 (5.35879e-08% change) linmin: converged after 4 iterations. iteration 1012: trace = 2.451789534473829 (4.32334e-08% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.451789532694611 (7.25681e-08% change) linmin: converged after 4 iterations. iteration 1014: trace = 2.451789530314902 (9.70601e-08% change) linmin: converged after 8 iterations. iteration 1015: trace = 2.451789529110084 (4.91403e-08% change) large trace change predicted (9.94358e-08%) linmin: converged after 23 iterations. iteration 1016: trace = 2.451789526672045 (9.94392e-08% change) linmin: converged after 5 iterations. iteration 1017: trace = 2.45178952391461 (1.12466e-07% change) linmin: converged after 21 iterations. iteration 1018: trace = 2.451789522857236 (4.31266e-08% change) linmin: converged after 4 iterations. iteration 1019: trace = 2.451789522061707 (3.24468e-08% change) linmin: converged after 8 iterations. iteration 1020: trace = 2.451789521192991 (3.54319e-08% change) linmin: converged after 3 iterations. iteration 1021: trace = 2.451789520608171 (2.38528e-08% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.45178952020785 (1.63277e-08% change) linmin: converged after 9 iterations. iteration 1023: trace = 2.451789519633386 (2.34304e-08% change) linmin: converged after 6 iterations. iteration 1024: trace = 2.451789519118052 (2.10187e-08% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.451789518781816 (1.37139e-08% change) large trace change predicted (3.35776e-08%) linmin: converged after 4 iterations. iteration 1026: trace = 2.451789517958568 (3.35774e-08% change) linmin: converged after 4 iterations. iteration 1027: trace = 2.451789517439551 (2.11689e-08% change) linmin: converged after 5 iterations. iteration 1028: trace = 2.451789516938425 (2.04392e-08% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.45178951636189 (2.35149e-08% change) linmin: converged after 4 iterations. iteration 1030: trace = 2.451789515625428 (3.00377e-08% change) linmin: converged after 5 iterations. iteration 1031: trace = 2.451789514847983 (3.17093e-08% change) large trace change predicted (7.18198e-08%) linmin: converged after 3 iterations. iteration 1032: trace = 2.451789513087109 (7.182e-08% change) linmin: converged after 7 iterations. iteration 1033: trace = 2.451789512566876 (2.12185e-08% change) linmin: converged after 15 iterations. iteration 1034: trace = 2.451789511630865 (3.81767e-08% change) linmin: converged after 2 iterations. iteration 1035: trace = 2.451789510064173 (6.38999e-08% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.451789509702204 (1.47634e-08% change) large trace change predicted (4.24194e-08%) linmin: converged after 6 iterations. iteration 1037: trace = 2.451789508662174 (4.24192e-08% change) linmin: converged after 28 iterations. iteration 1038: trace = 2.451789507461098 (4.89877e-08% change) linmin: converged after 4 iterations. iteration 1039: trace = 2.451789506606025 (3.48755e-08% change) linmin: converged after 18 iterations. iteration 1040: trace = 2.451789506409705 (8.00722e-09% change) large trace change predicted (3.02161e-08%) linmin: converged after 4 iterations. iteration 1041: trace = 2.451789505668874 (3.02159e-08% change) linmin: converged after 13 iterations. iteration 1042: trace = 2.451789505435705 (9.51014e-09% change) linmin: converged after 2 iterations. iteration 1043: trace = 2.451789505158259 (1.13161e-08% change) linmin: converged after 3 iterations. iteration 1044: trace = 2.451789504774739 (1.56425e-08% change) linmin: converged after 20 iterations. iteration 1045: trace = 2.451789504329974 (1.81404e-08% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.451789504003197 (1.33281e-08% change) linmin: converged after 2 iterations. iteration 1047: trace = 2.451789503590501 (1.68324e-08% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.451789503330634 (1.05991e-08% change) linmin: converged after 28 iterations. iteration 1049: trace = 2.451789503128339 (8.2509e-09% change) resetting CG direction... linmin: converged after 9 iterations. iteration 1050: trace = 2.451789502962016 (6.78374e-09% change) linmin: converged after 13 iterations. iteration 1051: trace = 2.451789502784436 (7.24288e-09% change) large trace change predicted (1.47416e-08%) linmin: converged after 9 iterations. iteration 1052: trace = 2.451789502423002 (1.47417e-08% change) linmin: converged after 8 iterations. iteration 1053: trace = 2.451789502164915 (1.05265e-08% change) linmin: converged after 5 iterations. iteration 1054: trace = 2.451789501825544 (1.38418e-08% change) linmin: converged after 5 iterations. iteration 1055: trace = 2.451789501411684 (1.68799e-08% change) linmin: converged after 16 iterations. iteration 1056: trace = 2.451789501173288 (9.72333e-09% change) linmin: converged after 6 iterations. iteration 1057: trace = 2.451789500828162 (1.40765e-08% change) linmin: converged after 6 iterations. iteration 1058: trace = 2.451789500177974 (2.65189e-08% change) linmin: converged after 5 iterations. iteration 1059: trace = 2.451789500037444 (5.73174e-09% change) large trace change predicted (2.99825e-08%) linmin: converged after 10 iterations. iteration 1060: trace = 2.451789499302327 (2.99829e-08% change) linmin: converged after 3 iterations. iteration 1061: trace = 2.451789498557349 (3.03851e-08% change) linmin: converged after 3 iterations. iteration 1062: trace = 2.451789498039462 (2.11228e-08% change) linmin: converged after 4 iterations. iteration 1063: trace = 2.45178949738404 (2.67324e-08% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.45178949622907 (4.71072e-08% change) linmin: converged after 22 iterations. iteration 1065: trace = 2.451789495305421 (3.76725e-08% change) linmin: converged after 21 iterations. iteration 1066: trace = 2.451789494721137 (2.38309e-08% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.45178949360109 (4.56828e-08% change) linmin: converged after 8 iterations. iteration 1068: trace = 2.451789492856723 (3.03601e-08% change) linmin: converged after 10 iterations. iteration 1069: trace = 2.45178949229224 (2.30233e-08% change) linmin: converged after 4 iterations. iteration 1070: trace = 2.451789491797887 (2.01629e-08% change) linmin: converged after 5 iterations. iteration 1071: trace = 2.451789491365316 (1.76431e-08% change) linmin: converged after 24 iterations. iteration 1072: trace = 2.451789491118513 (1.00662e-08% change) large trace change predicted (2.96234e-08%) linmin: converged after 10 iterations. iteration 1073: trace = 2.451789490392196 (2.96239e-08% change) linmin: converged after 13 iterations. iteration 1074: trace = 2.451789490292126 (4.08152e-09% change) large trace change predicted (2.13499e-08%) linmin: converged after 6 iterations. iteration 1075: trace = 2.45178948976867 (2.135e-08% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.451789489385334 (1.56349e-08% change) linmin: converged after 6 iterations. iteration 1077: trace = 2.451789489219977 (6.74434e-09% change) large trace change predicted (1.81852e-08%) linmin: converged after 25 iterations. iteration 1078: trace = 2.451789488774115 (1.81852e-08% change) linmin: converged after 4 iterations. iteration 1079: trace = 2.451789488193018 (2.37009e-08% change) linmin: converged after 4 iterations. iteration 1080: trace = 2.451789487810412 (1.56052e-08% change) linmin: converged after 25 iterations. iteration 1081: trace = 2.451789487217555 (2.41806e-08% change) large trace change predicted (5.80925e-08%) linmin: converged after 5 iterations. iteration 1082: trace = 2.451789485793301 (5.80904e-08% change) linmin: converged after 3 iterations. iteration 1083: trace = 2.451789484321333 (6.00365e-08% change) linmin: converged after 3 iterations. iteration 1084: trace = 2.451789483715688 (2.47022e-08% change) large trace change predicted (5.20395e-08%) linmin: converged after 4 iterations. iteration 1085: trace = 2.451789482439815 (5.20384e-08% change) linmin: converged after 17 iterations. iteration 1086: trace = 2.451789480615766 (7.43967e-08% change) linmin: converged after 23 iterations. iteration 1087: trace = 2.451789480057849 (2.27555e-08% change) linmin: converged after 3 iterations. iteration 1088: trace = 2.451789479697598 (1.46934e-08% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.451789479318219 (1.54735e-08% change) linmin: converged after 7 iterations. iteration 1090: trace = 2.451789479135877 (7.43712e-09% change) linmin: converged after 3 iterations. iteration 1091: trace = 2.451789478962792 (7.05951e-09% change) large trace change predicted (1.42707e-08%) linmin: converged after 4 iterations. iteration 1092: trace = 2.451789478612902 (1.42708e-08% change) linmin: converged after 15 iterations. iteration 1093: trace = 2.451789478422191 (7.77848e-09% change) linmin: converged after 34 iterations. iteration 1094: trace = 2.451789478208868 (8.70069e-09% change) large trace change predicted (3.48622e-08%) linmin: converged after 5 iterations. iteration 1095: trace = 2.451789477354111 (3.48626e-08% change) linmin: converged after 7 iterations. iteration 1096: trace = 2.451789477140853 (8.69805e-09% change) large trace change predicted (4.79724e-08%) linmin: converged after 4 iterations. iteration 1097: trace = 2.451789475964652 (4.79732e-08% change) linmin: converged after 10 iterations. iteration 1098: trace = 2.451789475110714 (3.48292e-08% change) linmin: converged after 9 iterations. iteration 1099: trace = 2.451789474615168 (2.02116e-08% change) linmin: converged after 15 iterations. iteration 1100: trace = 2.451789474057113 (2.27611e-08% change) linmin: converged after 2 iterations. iteration 1101: trace = 2.451789472951869 (4.50791e-08% change) linmin: converged after 3 iterations. iteration 1102: trace = 2.451789472627342 (1.32363e-08% change) large trace change predicted (4.17731e-08%) linmin: converged after 4 iterations. iteration 1103: trace = 2.451789471603143 (4.17735e-08% change) linmin: converged after 6 iterations. iteration 1104: trace = 2.451789470678366 (3.77185e-08% change) linmin: converged after 23 iterations. iteration 1105: trace = 2.451789470466405 (8.64518e-09% change) large trace change predicted (3.40001e-08%) linmin: converged after 4 iterations. iteration 1106: trace = 2.451789469632787 (3.40004e-08% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.451789469155216 (1.94785e-08% change) linmin: converged after 18 iterations. iteration 1108: trace = 2.451789468979577 (7.16369e-09% change) large trace change predicted (1.51594e-08%) linmin: converged after 12 iterations. iteration 1109: trace = 2.451789468607901 (1.51594e-08% change) linmin: converged after 7 iterations. iteration 1110: trace = 2.451789468055926 (2.25131e-08% change) linmin: converged after 3 iterations. iteration 1111: trace = 2.451789467543086 (2.09169e-08% change) linmin: converged after 5 iterations. iteration 1112: trace = 2.451789467372647 (6.95164e-09% change) large trace change predicted (3.2074e-08%) linmin: converged after 3 iterations. iteration 1113: trace = 2.451789466586261 (3.20739e-08% change) linmin: converged after 3 iterations. iteration 1114: trace = 2.451789466215636 (1.51165e-08% change) linmin: converged after 16 iterations. iteration 1115: trace = 2.451789465543267 (2.74236e-08% change) large trace change predicted (5.78277e-08%) linmin: converged after 4 iterations. iteration 1116: trace = 2.451789464125439 (5.78283e-08% change) linmin: converged after 6 iterations. iteration 1117: trace = 2.451789463598613 (2.14874e-08% change) linmin: converged after 2 iterations. iteration 1118: trace = 2.451789462772691 (3.36865e-08% change) large trace change predicted (2.24586e-07%) linmin: converged after 16 iterations. iteration 1119: trace = 2.4517894572662 (2.24591e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.451789454800628 (1.00562e-07% change) linmin: converged after 4 iterations. iteration 1121: trace = 2.451789453900319 (3.67205e-08% change) linmin: converged after 3 iterations. iteration 1122: trace = 2.451789453020805 (3.58724e-08% change) linmin: converged after 6 iterations. iteration 1123: trace = 2.451789451877852 (4.66171e-08% change) linmin: converged after 3 iterations. iteration 1124: trace = 2.451789451058146 (3.3433e-08% change) linmin: converged after 23 iterations. iteration 1125: trace = 2.451789450292417 (3.12314e-08% change) linmin: converged after 28 iterations. iteration 1126: trace = 2.451789449846724 (1.81783e-08% change) linmin: converged after 4 iterations. iteration 1127: trace = 2.451789449739992 (4.35323e-09% change) large trace change predicted (1.71206e-08%) linmin: converged after 20 iterations. iteration 1128: trace = 2.451789449320231 (1.71206e-08% change) linmin: converged after 5 iterations. iteration 1129: trace = 2.451789449162853 (6.41887e-09% change) linmin: converged after 5 iterations. iteration 1130: trace = 2.451789448977824 (7.54669e-09% change) linmin: converged after 19 iterations. iteration 1131: trace = 2.451789448732061 (1.00239e-08% change) linmin: converged after 5 iterations. iteration 1132: trace = 2.451789448580512 (6.18114e-09% change) linmin: converged after 9 iterations. iteration 1133: trace = 2.451789448434489 (5.95576e-09% change) large trace change predicted (1.70511e-08%) linmin: converged after 4 iterations. iteration 1134: trace = 2.451789448016434 (1.7051e-08% change) linmin: converged after 4 iterations. iteration 1135: trace = 2.451789447897852 (4.83657e-09% change) large trace change predicted (2.00637e-08%) linmin: converged after 4 iterations. iteration 1136: trace = 2.451789447405936 (2.00635e-08% change) linmin: converged after 3 iterations. iteration 1137: trace = 2.451789446929933 (1.94145e-08% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.451789446724038 (8.39776e-09% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.451789446344243 (1.54905e-08% change) linmin: converged after 9 iterations. iteration 1140: trace = 2.45178944594209 (1.64024e-08% change) linmin: converged after 17 iterations. iteration 1141: trace = 2.451789445712825 (9.35093e-09% change) linmin: converged after 4 iterations. iteration 1142: trace = 2.451789445324603 (1.58342e-08% change) linmin: converged after 4 iterations. iteration 1143: trace = 2.451789444874431 (1.83609e-08% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.451789444802293 (2.94227e-09% change) large trace change predicted (1.74985e-08%) linmin: converged after 5 iterations. iteration 1145: trace = 2.451789444373273 (1.74983e-08% change) linmin: converged after 14 iterations. iteration 1146: trace = 2.451789444197008 (7.18921e-09% change) linmin: converged after 5 iterations. iteration 1147: trace = 2.451789443999578 (8.05251e-09% change) linmin: converged after 17 iterations. iteration 1148: trace = 2.451789443967304 (1.31635e-09% change) large trace change predicted (3.92356e-09%) linmin: converged after 17 iterations. iteration 1149: trace = 2.451789443871107 (3.92352e-09% change) linmin: converged after 12 iterations. iteration 1150: trace = 2.451789443739499 (5.36784e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.451789443650296 (3.63828e-09% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.451789443487256 (6.64987e-09% change) large trace change predicted (1.54921e-08%) linmin: converged after 16 iterations. iteration 1153: trace = 2.451789443107419 (1.54922e-08% change) linmin: converged after 6 iterations. iteration 1154: trace = 2.451789442959 (6.05348e-09% change) large trace change predicted (1.78009e-08%) linmin: converged after 4 iterations. iteration 1155: trace = 2.451789442522556 (1.78011e-08% change) linmin: converged after 8 iterations. iteration 1156: trace = 2.451789442034507 (1.99058e-08% change) linmin: converged after 6 iterations. iteration 1157: trace = 2.451789441869777 (6.71875e-09% change) large trace change predicted (1.91735e-08%) linmin: converged after 9 iterations. iteration 1158: trace = 2.451789441399677 (1.91737e-08% change) linmin: converged after 14 iterations. iteration 1159: trace = 2.451789441022405 (1.53876e-08% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.45178944093529 (3.55313e-09% change) large trace change predicted (7.82666e-09%) linmin: converged after 8 iterations. iteration 1161: trace = 2.451789440743395 (7.82673e-09% change) linmin: converged after 15 iterations. iteration 1162: trace = 2.451789440575512 (6.84737e-09% change) linmin: converged after 4 iterations. iteration 1163: trace = 2.451789440533234 (1.72436e-09% change) large trace change predicted (3.9798e-09%) linmin: converged after 19 iterations. iteration 1164: trace = 2.451789440435655 (3.9799e-09% change) linmin: converged after 4 iterations. iteration 1165: trace = 2.451789440316674 (4.85282e-09% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.451789440273216 (1.77252e-09% change) large trace change predicted (5.59232e-09%) linmin: converged after 17 iterations. iteration 1167: trace = 2.451789440136105 (5.59229e-09% change) linmin: converged after 10 iterations. iteration 1168: trace = 2.451789439956406 (7.3293e-09% change) linmin: converged after 8 iterations. iteration 1169: trace = 2.45178943988431 (2.94055e-09% change) linmin: converged after 5 iterations. iteration 1170: trace = 2.451789439783332 (4.11852e-09% change) large trace change predicted (9.80716e-09%) linmin: converged after 3 iterations. iteration 1171: trace = 2.451789439542881 (9.80717e-09% change) linmin: converged after 30 iterations. iteration 1172: trace = 2.451789439491519 (2.09488e-09% change) large trace change predicted (7.7296e-09%) linmin: converged after 7 iterations. iteration 1173: trace = 2.451789439302004 (7.72966e-09% change) linmin: converged after 25 iterations. iteration 1174: trace = 2.451789438979144 (1.31683e-08% change) linmin: converged after 22 iterations. iteration 1175: trace = 2.451789438861095 (4.81482e-09% change) large trace change predicted (1.15483e-08%) linmin: converged after 13 iterations. iteration 1176: trace = 2.451789438577952 (1.15485e-08% change) linmin: converged after 3 iterations. iteration 1177: trace = 2.451789438316322 (1.0671e-08% change) linmin: converged after 6 iterations. iteration 1178: trace = 2.451789438158082 (6.45403e-09% change) linmin: converged after 9 iterations. iteration 1179: trace = 2.451789438091058 (2.7337e-09% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.451789437960886 (5.30928e-09% change) linmin: converged after 18 iterations. iteration 1181: trace = 2.451789437810039 (6.15252e-09% change) linmin: converged after 2 iterations. iteration 1182: trace = 2.451789437784512 (1.04116e-09% change) large trace change predicted (3.34086e-09%) linmin: converged after 22 iterations. iteration 1183: trace = 2.4517894377026 (3.34088e-09% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.451789437626897 (3.08766e-09% change) linmin: converged after 4 iterations. iteration 1185: trace = 2.451789437594309 (1.32914e-09% change) large trace change predicted (3.49077e-09%) linmin: converged after 16 iterations. iteration 1186: trace = 2.451789437508722 (3.4908e-09% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.451789437423225 (3.48712e-09% change) linmin: converged after 8 iterations. iteration 1188: trace = 2.451789437381752 (1.69154e-09% change) linmin: converged after 13 iterations. iteration 1189: trace = 2.45178943733497 (1.9081e-09% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1190: trace = 2.451789437298785 (1.47584e-09% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.4517894372732 (1.04355e-09% change) large trace change predicted (2.24058e-09%) linmin: converged after 3 iterations. iteration 1192: trace = 2.451789437218267 (2.24052e-09% change) linmin: converged after 27 iterations. iteration 1193: trace = 2.451789437180832 (1.52682e-09% change) linmin: converged after 2 iterations. iteration 1194: trace = 2.451789437115108 (2.68065e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.45178943702815 (3.54672e-09% change) linmin: converged after 9 iterations. iteration 1196: trace = 2.451789436981476 (1.90368e-09% change) linmin: converged after 10 iterations. iteration 1197: trace = 2.451789436907156 (3.03126e-09% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.451789436782107 (5.10031e-09% change) linmin: converged after 7 iterations. iteration 1199: trace = 2.451789436754382 (1.1308e-09% change) large trace change predicted (4.92148e-09%) linmin: converged after 4 iterations. iteration 1200: trace = 2.451789436633713 (4.9217e-09% change) linmin: converged after 4 iterations. iteration 1201: trace = 2.45178943651096 (5.00663e-09% change) linmin: converged after 4 iterations. iteration 1202: trace = 2.451789436451737 (2.41553e-09% change) large trace change predicted (7.0607e-09%) linmin: converged after 17 iterations. iteration 1203: trace = 2.451789436278625 (7.06063e-09% change) linmin: converged after 2 iterations. iteration 1204: trace = 2.451789436022101 (1.04627e-08% change) linmin: converged after 3 iterations. iteration 1205: trace = 2.45178943583682 (7.55699e-09% change) linmin: converged after 19 iterations. iteration 1206: trace = 2.451789435709842 (5.17897e-09% change) linmin: converged after 8 iterations. iteration 1207: trace = 2.451789435513479 (8.00896e-09% change) linmin: converged after 4 iterations. iteration 1208: trace = 2.451789435382537 (5.34067e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.451789435301188 (3.31795e-09% change) linmin: converged after 7 iterations. iteration 1210: trace = 2.451789435203965 (3.96541e-09% change) linmin: converged after 4 iterations. iteration 1211: trace = 2.451789435127112 (3.13456e-09% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.451789435049508 (3.1652e-09% change) linmin: converged after 32 iterations. iteration 1213: trace = 2.451789434904809 (5.90177e-09% change) linmin: converged after 15 iterations. iteration 1214: trace = 2.451789434881218 (9.62173e-10% change) large trace change predicted (3.17579e-09%) linmin: converged after 4 iterations. iteration 1215: trace = 2.451789434803358 (3.17567e-09% change) linmin: converged after 4 iterations. iteration 1216: trace = 2.451789434739968 (2.58545e-09% change) linmin: converged after 21 iterations. iteration 1217: trace = 2.451789434713268 (1.08898e-09% change) large trace change predicted (4.89033e-09%) linmin: converged after 2 iterations. iteration 1218: trace = 2.451789434593366 (4.8904e-09% change) linmin: converged after 3 iterations. iteration 1219: trace = 2.45178943447074 (5.0015e-09% change) linmin: converged after 24 iterations. iteration 1220: trace = 2.451789434357741 (4.60882e-09% change) linmin: converged after 11 iterations. iteration 1221: trace = 2.451789434267978 (3.66113e-09% change) large trace change predicted (1.03021e-08%) linmin: converged after 4 iterations. iteration 1222: trace = 2.451789434015397 (1.03019e-08% change) linmin: converged after 4 iterations. iteration 1223: trace = 2.451789433696972 (1.29874e-08% change) linmin: converged after 17 iterations. iteration 1224: trace = 2.451789433552949 (5.87422e-09% change) linmin: converged after 18 iterations. iteration 1225: trace = 2.451789433334862 (8.89501e-09% change) linmin: converged after 16 iterations. iteration 1226: trace = 2.451789433006891 (1.33768e-08% change) linmin: converged after 19 iterations. iteration 1227: trace = 2.451789432888533 (4.8274e-09% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.451789432857472 (1.26685e-09% change) linmin: converged after 5 iterations. iteration 1229: trace = 2.451789432798414 (2.40878e-09% change) linmin: converged after 9 iterations. iteration 1230: trace = 2.451789432764895 (1.36714e-09% change) linmin: converged after 11 iterations. iteration 1231: trace = 2.451789432735394 (1.20322e-09% change) large trace change predicted (3.08777e-09%) linmin: converged after 7 iterations. iteration 1232: trace = 2.45178943265969 (3.08774e-09% change) linmin: converged after 15 iterations. iteration 1233: trace = 2.45178943258334 (3.11405e-09% change) linmin: converged after 22 iterations. iteration 1234: trace = 2.451789432553883 (1.20144e-09% change) large trace change predicted (6.79587e-09%) linmin: converged after 28 iterations. iteration 1235: trace = 2.451789432387259 (6.79602e-09% change) linmin: converged after 31 iterations. iteration 1236: trace = 2.451789432301247 (3.5081e-09% change) linmin: converged after 4 iterations. iteration 1237: trace = 2.451789432131185 (6.93625e-09% change) linmin: converged after 24 iterations. iteration 1238: trace = 2.451789431936088 (7.95732e-09% change) linmin: converged after 2 iterations. iteration 1239: trace = 2.451789431839116 (3.95516e-09% change) linmin: converged after 2 iterations. iteration 1240: trace = 2.451789431722921 (4.73921e-09% change) linmin: converged after 14 iterations. iteration 1241: trace = 2.451789431521154 (8.22938e-09% change) linmin: converged after 15 iterations. iteration 1242: trace = 2.451789431440544 (3.28777e-09% change) linmin: converged after 5 iterations. iteration 1243: trace = 2.45178943129167 (6.07208e-09% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.451789431119233 (7.0331e-09% change) linmin: converged after 18 iterations. iteration 1245: trace = 2.45178943107434 (1.83101e-09% change) large trace change predicted (5.58916e-09%) linmin: converged after 6 iterations. iteration 1246: trace = 2.451789430937306 (5.58918e-09% change) linmin: converged after 22 iterations. iteration 1247: trace = 2.451789430836432 (4.1143e-09% change) linmin: converged after 5 iterations. iteration 1248: trace = 2.451789430763661 (2.96805e-09% change) linmin: converged after 7 iterations. iteration 1249: trace = 2.451789430731146 (1.32619e-09% change) large trace change predicted (3.85144e-09%) linmin: converged after 6 iterations. iteration 1250: trace = 2.451789430636717 (3.85143e-09% change) linmin: converged after 7 iterations. iteration 1251: trace = 2.451789430524508 (4.57663e-09% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.45178943050049 (9.79616e-10% change) large trace change predicted (5.12696e-09%) linmin: converged after 7 iterations. iteration 1253: trace = 2.451789430374786 (5.12703e-09% change) linmin: converged after 9 iterations. iteration 1254: trace = 2.451789430219521 (6.33271e-09% change) linmin: converged after 24 iterations. iteration 1255: trace = 2.451789430140737 (3.21331e-09% change) large trace change predicted (1.58627e-08%) linmin: converged after 2 iterations. iteration 1256: trace = 2.45178942975182 (1.58626e-08% change) linmin: converged after 16 iterations. iteration 1257: trace = 2.451789429588243 (6.67173e-09% change) linmin: converged after 3 iterations. iteration 1258: trace = 2.451789429446933 (5.76353e-09% change) large trace change predicted (2.40766e-08%) linmin: converged after 7 iterations. iteration 1259: trace = 2.451789428856623 (2.40767e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.451789428379108 (1.94762e-08% change) linmin: converged after 24 iterations. iteration 1261: trace = 2.451789428292885 (3.51674e-09% change) linmin: converged after 21 iterations. iteration 1262: trace = 2.451789428123229 (6.91969e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.451789427827525 (1.20607e-08% change) linmin: converged after 4 iterations. iteration 1264: trace = 2.451789427769957 (2.34799e-09% change) large trace change predicted (5.20359e-09%) linmin: converged after 20 iterations. iteration 1265: trace = 2.451789427642376 (5.20357e-09% change) linmin: converged after 3 iterations. iteration 1266: trace = 2.451789427556736 (3.49296e-09% change) linmin: converged after 4 iterations. iteration 1267: trace = 2.451789427538553 (7.41649e-10% change) large trace change predicted (3.0906e-09%) linmin: converged after 6 iterations. iteration 1268: trace = 2.45178942746278 (3.09053e-09% change) linmin: converged after 4 iterations. iteration 1269: trace = 2.451789427409696 (2.16508e-09% change) linmin: converged after 10 iterations. iteration 1270: trace = 2.451789427387325 (9.12435e-10% change) linmin: converged after 22 iterations. iteration 1271: trace = 2.451789427345755 (1.69551e-09% change) linmin: converged after 19 iterations. iteration 1272: trace = 2.451789427301454 (1.80687e-09% change) linmin: converged after 7 iterations. iteration 1273: trace = 2.451789427277019 (9.96642e-10% change) large trace change predicted (3.61819e-09%) linmin: converged after 25 iterations. iteration 1274: trace = 2.451789427188312 (3.61804e-09% change) linmin: converged after 6 iterations. iteration 1275: trace = 2.451789427104732 (3.40895e-09% change) linmin: converged after 12 iterations. iteration 1276: trace = 2.451789427067474 (1.5196e-09% change) large trace change predicted (3.7725e-09%) linmin: converged after 30 iterations. iteration 1277: trace = 2.451789426974981 (3.77247e-09% change) linmin: converged after 19 iterations. iteration 1278: trace = 2.451789426886685 (3.60131e-09% change) linmin: converged after 18 iterations. iteration 1279: trace = 2.451789426855997 (1.25163e-09% change) large trace change predicted (3.21873e-09%) linmin: converged after 23 iterations. iteration 1280: trace = 2.451789426777082 (3.21869e-09% change) linmin: converged after 4 iterations. iteration 1281: trace = 2.451789426675311 (4.15087e-09% change) linmin: converged after 9 iterations. iteration 1282: trace = 2.451789426652206 (9.42394e-10% change) large trace change predicted (4.15518e-09%) linmin: converged after 4 iterations. iteration 1283: trace = 2.451789426550331 (4.15513e-09% change) linmin: converged after 19 iterations. iteration 1284: trace = 2.451789426493461 (2.31953e-09% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.451789426461265 (1.31315e-09% change) linmin: converged after 6 iterations. iteration 1286: trace = 2.451789426430333 (1.26162e-09% change) linmin: converged after 16 iterations. iteration 1287: trace = 2.451789426389659 (1.65894e-09% change) linmin: converged after 12 iterations. iteration 1288: trace = 2.451789426383331 (2.58126e-10% change) large trace change predicted (8.90228e-10%) linmin: converged after 7 iterations. iteration 1289: trace = 2.451789426361502 (8.90301e-10% change) linmin: converged after 16 iterations. iteration 1290: trace = 2.451789426338924 (9.20876e-10% change) linmin: converged after 2 iterations. iteration 1291: trace = 2.45178942633073 (3.342e-10% change) large trace change predicted (1.92757e-09%) linmin: converged after 4 iterations. iteration 1292: trace = 2.451789426283468 (1.92766e-09% change) linmin: converged after 19 iterations. iteration 1293: trace = 2.451789426194652 (3.6225e-09% change) linmin: converged after 5 iterations. iteration 1294: trace = 2.451789426103259 (3.72763e-09% change) linmin: converged after 16 iterations. iteration 1295: trace = 2.451789426067078 (1.47569e-09% change) large trace change predicted (5.55816e-09%) linmin: converged after 7 iterations. iteration 1296: trace = 2.451789425930798 (5.55837e-09% change) linmin: converged after 7 iterations. iteration 1297: trace = 2.451789425838819 (3.75154e-09% change) linmin: converged after 2 iterations. iteration 1298: trace = 2.451789425817384 (8.74235e-10% change) large trace change predicted (1.7951e-09%) linmin: converged after 17 iterations. iteration 1299: trace = 2.451789425773376 (1.79495e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.451789425736601 (1.49991e-09% change) linmin: converged after 8 iterations. iteration 1301: trace = 2.451789425721344 (6.22285e-10% change) large trace change predicted (1.47483e-09%) linmin: converged after 3 iterations. iteration 1302: trace = 2.451789425685182 (1.47493e-09% change) linmin: converged after 9 iterations. iteration 1303: trace = 2.451789425662749 (9.14953e-10% change) linmin: converged after 5 iterations. iteration 1304: trace = 2.451789425643686 (7.77531e-10% change) linmin: converged after 4 iterations. iteration 1305: trace = 2.45178942563422 (3.86094e-10% change) large trace change predicted (1.52913e-09%) linmin: converged after 5 iterations. iteration 1306: trace = 2.45178942559673 (1.52907e-09% change) linmin: converged after 10 iterations. iteration 1307: trace = 2.451789425586465 (4.18697e-10% change) large trace change predicted (9.5648e-10%) linmin: converged after 2 iterations. iteration 1308: trace = 2.451789425563012 (9.5654e-10% change) linmin: converged after 2 iterations. iteration 1309: trace = 2.451789425534362 (1.16855e-09% change) linmin: converged after 3 iterations. iteration 1310: trace = 2.451789425524134 (4.17139e-10% change) large trace change predicted (2.13933e-09%) linmin: converged after 3 iterations. iteration 1311: trace = 2.451789425471684 (2.13927e-09% change) linmin: converged after 3 iterations. iteration 1312: trace = 2.451789425431605 (1.63469e-09% change) linmin: converged after 15 iterations. iteration 1313: trace = 2.451789425410803 (8.48443e-10% change) large trace change predicted (2.72865e-09%) linmin: converged after 18 iterations. iteration 1314: trace = 2.451789425343902 (2.72865e-09% change) linmin: converged after 3 iterations. iteration 1315: trace = 2.451789425283307 (2.47146e-09% change) linmin: converged after 4 iterations. iteration 1316: trace = 2.451789425267598 (6.40724e-10% change) large trace change predicted (1.84938e-09%) linmin: converged after 18 iterations. iteration 1317: trace = 2.451789425222254 (1.84943e-09% change) linmin: converged after 2 iterations. iteration 1318: trace = 2.451789425189775 (1.3247e-09% change) linmin: converged after 3 iterations. iteration 1319: trace = 2.4517894251737 (6.55613e-10% change) linmin: converged after 15 iterations. iteration 1320: trace = 2.451789425154975 (7.63729e-10% change) linmin: converged after 2 iterations. iteration 1321: trace = 2.451789425126667 (1.1546e-09% change) linmin: converged after 3 iterations. iteration 1322: trace = 2.451789425108425 (7.4404e-10% change) linmin: converged after 8 iterations. iteration 1323: trace = 2.451789425098407 (4.08572e-10% change) linmin: converged after 8 iterations. iteration 1324: trace = 2.451789425084184 (5.80119e-10% change) linmin: converged after 2 iterations. iteration 1325: trace = 2.451789425063255 (8.53605e-10% change) linmin: converged after 6 iterations. iteration 1326: trace = 2.451789425056839 (2.61713e-10% change) linmin: converged after 5 iterations. iteration 1327: trace = 2.451789425047832 (3.67365e-10% change) linmin: converged after 3 iterations. iteration 1328: trace = 2.451789425036651 (4.56046e-10% change) linmin: converged after 13 iterations. iteration 1329: trace = 2.451789425031384 (2.14819e-10% change) resetting CG direction... linmin: converged after 2 iterations. iteration 1330: trace = 2.451789425026402 (2.03172e-10% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.451789425016593 (4.00077e-10% change) linmin: converged after 9 iterations. iteration 1332: trace = 2.451789425010061 (2.6644e-10% change) linmin: converged after 5 iterations. iteration 1333: trace = 2.451789425002254 (3.18424e-10% change) large trace change predicted (7.97431e-10%) linmin: converged after 4 iterations. iteration 1334: trace = 2.451789424982703 (7.97401e-10% change) linmin: converged after 3 iterations. iteration 1335: trace = 2.451789424972215 (4.27771e-10% change) linmin: converged after 4 iterations. iteration 1336: trace = 2.451789424958625 (5.54308e-10% change) linmin: converged after 3 iterations. iteration 1337: trace = 2.45178942494128 (7.07434e-10% change) linmin: converged after 15 iterations. iteration 1338: trace = 2.451789424926077 (6.20058e-10% change) linmin: converged after 15 iterations. iteration 1339: trace = 2.451789424912029 (5.72964e-10% change) linmin: converged after 13 iterations. iteration 1340: trace = 2.451789424884935 (1.10508e-09% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.451789424872765 (4.96383e-10% change) linmin: converged after 16 iterations. iteration 1342: trace = 2.451789424848576 (9.86589e-10% change) linmin: converged after 17 iterations. iteration 1343: trace = 2.451789424808531 (1.63327e-09% change) linmin: converged after 5 iterations. iteration 1344: trace = 2.451789424772227 (1.48071e-09% change) linmin: converged after 4 iterations. iteration 1345: trace = 2.451789424748269 (9.77171e-10% change) large trace change predicted (2.167e-09%) linmin: converged after 2 iterations. iteration 1346: trace = 2.451789424695141 (2.16691e-09% change) linmin: converged after 7 iterations. iteration 1347: trace = 2.451789424658118 (1.51003e-09% change) linmin: converged after 3 iterations. iteration 1348: trace = 2.451789424647823 (4.19892e-10% change) large trace change predicted (1.61363e-09%) linmin: converged after 17 iterations. iteration 1349: trace = 2.451789424608258 (1.61373e-09% change) linmin: converged after 2 iterations. iteration 1350: trace = 2.451789424591985 (6.63728e-10% change) linmin: converged after 3 iterations. iteration 1351: trace = 2.451789424579163 (5.22973e-10% change) linmin: converged after 4 iterations. iteration 1352: trace = 2.451789424562327 (6.86677e-10% change) linmin: converged after 21 iterations. iteration 1353: trace = 2.451789424536434 (1.05607e-09% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.45178942453202 (1.80024e-10% change) large trace change predicted (7.29568e-10%) linmin: converged after 14 iterations. iteration 1355: trace = 2.451789424514134 (7.29514e-10% change) linmin: converged after 22 iterations. iteration 1356: trace = 2.451789424503403 (4.37697e-10% change) linmin: converged after 12 iterations. iteration 1357: trace = 2.451789424496385 (2.86238e-10% change) large trace change predicted (1.01752e-09%) linmin: converged after 2 iterations. iteration 1358: trace = 2.451789424471436 (1.0176e-09% change) linmin: converged after 2 iterations. iteration 1359: trace = 2.451789424457727 (5.59108e-10% change) linmin: converged after 4 iterations. iteration 1360: trace = 2.451789424441401 (6.65901e-10% change) large trace change predicted (1.5215e-09%) linmin: converged after 20 iterations. iteration 1361: trace = 2.4517894244041 (1.52139e-09% change) linmin: converged after 16 iterations. iteration 1362: trace = 2.451789424350351 (2.19222e-09% change) linmin: converged after 22 iterations. iteration 1363: trace = 2.451789424295335 (2.24393e-09% change) linmin: converged after 6 iterations. iteration 1364: trace = 2.451789424267806 (1.12278e-09% change) linmin: converged after 3 iterations. iteration 1365: trace = 2.451789424216301 (2.10075e-09% change) linmin: converged after 24 iterations. iteration 1366: trace = 2.451789424151033 (2.66203e-09% change) linmin: converged after 5 iterations. iteration 1367: trace = 2.451789424137584 (5.48548e-10% change) linmin: converged after 10 iterations. iteration 1368: trace = 2.451789424118441 (7.80773e-10% change) linmin: converged after 14 iterations. iteration 1369: trace = 2.451789424105455 (5.29656e-10% change) linmin: converged after 3 iterations. iteration 1370: trace = 2.451789424096591 (3.61551e-10% change) linmin: converged after 15 iterations. iteration 1371: trace = 2.451789424092687 (1.59212e-10% change) large trace change predicted (5.1949e-10%) linmin: converged after 3 iterations. iteration 1372: trace = 2.45178942407995 (5.19495e-10% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.451789424069264 (4.3585e-10% change) linmin: converged after 12 iterations. iteration 1374: trace = 2.451789424058148 (4.53383e-10% change) large trace change predicted (1.53044e-09%) linmin: converged after 25 iterations. iteration 1375: trace = 2.451789424020625 (1.53043e-09% change) linmin: converged after 4 iterations. iteration 1376: trace = 2.451789424009109 (4.69685e-10% change) large trace change predicted (1.6032e-09%) linmin: converged after 4 iterations. iteration 1377: trace = 2.451789423969804 (1.60313e-09% change) linmin: converged after 4 iterations. iteration 1378: trace = 2.451789423931909 (1.54561e-09% change) linmin: converged after 4 iterations. iteration 1379: trace = 2.451789423911547 (8.30511e-10% change) linmin: converged after 4 iterations. iteration 1380: trace = 2.451789423887948 (9.62499e-10% change) linmin: converged after 7 iterations. iteration 1381: trace = 2.451789423845258 (1.74119e-09% change) linmin: converged after 3 iterations. iteration 1382: trace = 2.451789423825225 (8.17053e-10% change) linmin: converged after 4 iterations. iteration 1383: trace = 2.451789423797294 (1.13921e-09% change) linmin: converged after 4 iterations. iteration 1384: trace = 2.451789423762372 (1.42438e-09% change) linmin: converged after 4 iterations. iteration 1385: trace = 2.451789423751556 (4.41139e-10% change) large trace change predicted (9.92415e-10%) linmin: converged after 11 iterations. iteration 1386: trace = 2.451789423727223 (9.92458e-10% change) linmin: converged after 3 iterations. iteration 1387: trace = 2.451789423706326 (8.52319e-10% change) linmin: converged after 15 iterations. iteration 1388: trace = 2.45178942369586 (4.26866e-10% change) linmin: converged after 13 iterations. iteration 1389: trace = 2.451789423685949 (4.04225e-10% change) linmin: converged after 16 iterations. iteration 1390: trace = 2.451789423666368 (7.98668e-10% change) linmin: converged after 2 iterations. iteration 1391: trace = 2.451789423645899 (8.34858e-10% change) linmin: converged after 7 iterations. iteration 1392: trace = 2.451789423639723 (2.51877e-10% change) large trace change predicted (1.12882e-09%) linmin: converged after 3 iterations. iteration 1393: trace = 2.451789423612047 (1.12883e-09% change) linmin: converged after 5 iterations. iteration 1394: trace = 2.451789423580614 (1.28203e-09% change) linmin: converged after 9 iterations. iteration 1395: trace = 2.451789423565915 (5.99518e-10% change) large trace change predicted (3.14984e-09%) linmin: converged after 2 iterations. iteration 1396: trace = 2.451789423488688 (3.14983e-09% change) linmin: converged after 9 iterations. iteration 1397: trace = 2.451789423445791 (1.74961e-09% change) linmin: converged after 16 iterations. iteration 1398: trace = 2.451789423428728 (6.9595e-10% change) large trace change predicted (4.55222e-09%) linmin: converged after 18 iterations. iteration 1399: trace = 2.451789423317114 (4.55234e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1400: trace = 2.45178942322682 (3.68278e-09% change) linmin: converged after 18 iterations. iteration 1401: trace = 2.451789423212356 (5.89954e-10% change) large trace change predicted (1.63868e-09%) linmin: converged after 3 iterations. iteration 1402: trace = 2.45178942317218 (1.63862e-09% change) linmin: converged after 3 iterations. iteration 1403: trace = 2.45178942311541 (2.31544e-09% change) linmin: converged after 7 iterations. iteration 1404: trace = 2.451789423103856 (4.71279e-10% change) large trace change predicted (1.0712e-09%) linmin: converged after 2 iterations. iteration 1405: trace = 2.451789423077589 (1.07132e-09% change) linmin: converged after 6 iterations. iteration 1406: trace = 2.451789423059963 (7.18899e-10% change) linmin: converged after 3 iterations. iteration 1407: trace = 2.451789423055987 (1.62164e-10% change) large trace change predicted (5.94047e-10%) linmin: converged after 3 iterations. iteration 1408: trace = 2.451789423041421 (5.9412e-10% change) linmin: converged after 21 iterations. iteration 1409: trace = 2.451789423035884 (2.25813e-10% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.451789423026342 (3.89209e-10% change) linmin: converged after 9 iterations. iteration 1411: trace = 2.451789423016263 (4.11089e-10% change) linmin: converged after 4 iterations. iteration 1412: trace = 2.451789423004644 (4.73869e-10% change) linmin: converged after 3 iterations. iteration 1413: trace = 2.451789422999864 (1.94967e-10% change) large trace change predicted (6.2102e-10%) linmin: converged after 10 iterations. iteration 1414: trace = 2.451789422984635 (6.21144e-10% change) linmin: converged after 24 iterations. iteration 1415: trace = 2.451789422964539 (8.19661e-10% change) linmin: converged after 3 iterations. iteration 1416: trace = 2.451789422951064 (5.4958e-10% change) linmin: converged after 2 iterations. iteration 1417: trace = 2.45178942293871 (5.03882e-10% change) linmin: converged after 17 iterations. iteration 1418: trace = 2.451789422916927 (8.88454e-10% change) linmin: converged after 12 iterations. iteration 1419: trace = 2.451789422905359 (4.7184e-10% change) linmin: converged after 6 iterations. iteration 1420: trace = 2.451789422896341 (3.678e-10% change) large trace change predicted (8.38613e-10%) linmin: converged after 18 iterations. iteration 1421: trace = 2.451789422875778 (8.38698e-10% change) linmin: converged after 3 iterations. iteration 1422: trace = 2.451789422867521 (3.36772e-10% change) linmin: converged after 10 iterations. iteration 1423: trace = 2.4517894228527 (6.04481e-10% change) linmin: converged after 19 iterations. iteration 1424: trace = 2.451789422834906 (7.25782e-10% change) linmin: converged after 4 iterations. iteration 1425: trace = 2.451789422830581 (1.76365e-10% change) linmin: converged after 6 iterations. iteration 1426: trace = 2.451789422826161 (1.80295e-10% change) linmin: converged after 12 iterations. iteration 1427: trace = 2.45178942281844 (3.1491e-10% change) linmin: converged after 5 iterations. iteration 1428: trace = 2.451789422816662 (7.25058e-11% change) Finished solving for bands 1 to 10 after 1428 iterations. tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287 elapsed time for k point: 22.914533615112305 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.528836134270658 (1.93409% change) linmin: converged after 4 iterations. iteration 2: trace = 2.510710810567917 (0.719324% change) linmin: converged after 4 iterations. iteration 3: trace = 2.494945478224396 (0.629901% change) linmin: converged after 4 iterations. iteration 4: trace = 2.491433619084531 (0.140858% change) large trace change predicted (0.375525%) linmin: converged after 9 iterations. iteration 5: trace = 2.481386223449483 (0.404092% change) linmin: converged after 4 iterations. iteration 6: trace = 2.478821683400874 (0.103405% change) linmin: converged after 4 iterations. iteration 7: trace = 2.475784108910963 (0.122616% change) linmin: converged after 4 iterations. iteration 8: trace = 2.47342152895137 (0.0954731% change) linmin: converged after 4 iterations. iteration 9: trace = 2.472471533890234 (0.0384155% change) linmin: converged after 4 iterations. iteration 10: trace = 2.47106907132682 (0.0567392% change) linmin: converged after 4 iterations. iteration 11: trace = 2.470689308827395 (0.0153695% change) large trace change predicted (0.0415688%) linmin: converged after 4 iterations. iteration 12: trace = 2.469653285759598 (0.0419413% change) linmin: converged after 4 iterations. iteration 13: trace = 2.469044058138818 (0.0246716% change) linmin: converged after 3 iterations. iteration 14: trace = 2.468577431161618 (0.0189009% change) linmin: converged after 4 iterations. iteration 15: trace = 2.467728655941253 (0.0343891% change) linmin: converged after 3 iterations. iteration 16: trace = 2.467452972912819 (0.0111722% change) large trace change predicted (0.0408236%) linmin: converged after 4 iterations. iteration 17: trace = 2.466432198644252 (0.0413781% change) linmin: converged after 4 iterations. iteration 18: trace = 2.46614376303753 (0.0116951% change) linmin: converged after 4 iterations. iteration 19: trace = 2.465689780835783 (0.0184103% change) linmin: converged after 4 iterations. iteration 20: trace = 2.465064628931712 (0.0253573% change) linmin: converged after 3 iterations. iteration 21: trace = 2.464844088512526 (0.00894704% change) large trace change predicted (0.0298107%) linmin: converged after 4 iterations. iteration 22: trace = 2.464107093730162 (0.0299047% change) linmin: converged after 5 iterations. iteration 23: trace = 2.463924821317125 (0.00739737% change) large trace change predicted (0.0205069%) linmin: converged after 3 iterations. iteration 24: trace = 2.463417676466141 (0.0205849% change) linmin: converged after 4 iterations. iteration 25: trace = 2.462917918886174 (0.0202892% change) linmin: converged after 4 iterations. iteration 26: trace = 2.462692793520248 (0.00914101% change) large trace change predicted (0.0279874%) linmin: converged after 4 iterations. iteration 27: trace = 2.462009410704481 (0.0277533% change) linmin: converged after 4 iterations. iteration 28: trace = 2.461750459728039 (0.0105184% change) large trace change predicted (0.0224555%) linmin: converged after 4 iterations. iteration 29: trace = 2.461203449306537 (0.0222229% change) linmin: converged after 4 iterations. iteration 30: trace = 2.460687241316449 (0.020976% change) linmin: converged after 4 iterations. iteration 31: trace = 2.460471967293356 (0.00874892% change) large trace change predicted (0.0259488%) linmin: converged after 4 iterations. iteration 32: trace = 2.459845011813007 (0.0254844% change) linmin: converged after 4 iterations. iteration 33: trace = 2.459427659459783 (0.0169681% change) linmin: converged after 4 iterations. iteration 34: trace = 2.459157455079938 (0.0109871% change) large trace change predicted (0.0241658%) linmin: converged after 6 iterations. iteration 35: trace = 2.458586709943367 (0.0232117% change) linmin: converged after 3 iterations. iteration 36: trace = 2.458222137346353 (0.0148296% change) linmin: converged after 4 iterations. iteration 37: trace = 2.45785999435421 (0.014733% change) linmin: converged after 8 iterations. iteration 38: trace = 2.457513632981111 (0.014093% change) linmin: converged after 4 iterations. iteration 39: trace = 2.457345367945684 (0.0068472% change) linmin: converged after 5 iterations. iteration 40: trace = 2.457030159100321 (0.012828% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456936972282718 (0.00379273% change) linmin: converged after 4 iterations. iteration 42: trace = 2.456770588243581 (0.00677224% change) linmin: converged after 4 iterations. iteration 43: trace = 2.456644639654053 (0.00512672% change) linmin: converged after 4 iterations. iteration 44: trace = 2.456574678584251 (0.00284787% change) large trace change predicted (0.00679001%) linmin: converged after 4 iterations. iteration 45: trace = 2.456409643090212 (0.00671834% change) linmin: converged after 4 iterations. iteration 46: trace = 2.456322083882434 (0.00356458% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456237757309787 (0.0034331% change) linmin: converged after 3 iterations. iteration 48: trace = 2.456190236781592 (0.00193471% change) large trace change predicted (0.00555275%) linmin: converged after 4 iterations. iteration 49: trace = 2.456054113877792 (0.00554219% change) linmin: converged after 4 iterations. iteration 50: trace = 2.456008216708386 (0.00186875% change) large trace change predicted (0.00438811%) linmin: converged after 4 iterations. iteration 51: trace = 2.455900264779816 (0.00439552% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455832002640181 (0.00277955% change) linmin: converged after 3 iterations. iteration 53: trace = 2.455712148285059 (0.00488052% change) linmin: converged after 3 iterations. iteration 54: trace = 2.45566480562526 (0.00192788% change) large trace change predicted (0.00469265%) linmin: converged after 3 iterations. iteration 55: trace = 2.455549041362796 (0.00471428% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455472533590854 (0.00311576% change) linmin: converged after 4 iterations. iteration 57: trace = 2.455355048982745 (0.00478472% change) linmin: converged after 4 iterations. iteration 58: trace = 2.455240128514053 (0.00468051% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455056447621675 (0.00748146% change) linmin: converged after 3 iterations. iteration 60: trace = 2.454878655275191 (0.00724215% change) linmin: converged after 3 iterations. iteration 61: trace = 2.454746446845817 (0.00538568% change) linmin: converged after 3 iterations. iteration 62: trace = 2.454558467425849 (0.00765809% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454455967076481 (0.00417601% change) large trace change predicted (0.00930712%) linmin: converged after 4 iterations. iteration 64: trace = 2.454225787170495 (0.00937848% change) linmin: converged after 3 iterations. iteration 65: trace = 2.454124726566585 (0.0041179% change) linmin: converged after 3 iterations. iteration 66: trace = 2.45393768415976 (0.00762184% change) linmin: converged after 5 iterations. iteration 67: trace = 2.453808635086515 (0.005259% change) linmin: converged after 6 iterations. iteration 68: trace = 2.4536224657201 (0.00758724% change) linmin: converged after 3 iterations. iteration 69: trace = 2.453501999729609 (0.00490984% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.453442737777944 (0.00241543% change) large trace change predicted (0.0062458%) linmin: converged after 4 iterations. iteration 71: trace = 2.453289568241044 (0.00624324% change) linmin: converged after 4 iterations. iteration 72: trace = 2.453139306423369 (0.0061251% change) linmin: converged after 3 iterations. iteration 73: trace = 2.453047313953293 (0.00375006% change) large trace change predicted (0.00966974%) linmin: converged after 4 iterations. iteration 74: trace = 2.452810838247347 (0.00964054% change) linmin: converged after 4 iterations. iteration 75: trace = 2.452613248556677 (0.00805597% change) linmin: converged after 6 iterations. iteration 76: trace = 2.452556218941359 (0.00232529% change) large trace change predicted (0.00551883%) linmin: converged after 4 iterations. iteration 77: trace = 2.452421478379425 (0.00549403% change) linmin: converged after 4 iterations. iteration 78: trace = 2.452337884184689 (0.0034087% change) linmin: converged after 4 iterations. iteration 79: trace = 2.452304255799918 (0.00137129% change) large trace change predicted (0.00452288%) linmin: converged after 4 iterations. iteration 80: trace = 2.452193445071391 (0.00451874% change) linmin: converged after 3 iterations. iteration 81: trace = 2.452083136881207 (0.00449845% change) linmin: converged after 7 iterations. iteration 82: trace = 2.452049770136486 (0.00136076% change) large trace change predicted (0.0042555%) linmin: converged after 6 iterations. iteration 83: trace = 2.451945081868034 (0.00426951% change) linmin: converged after 3 iterations. iteration 84: trace = 2.451875788529541 (0.0028261% change) linmin: converged after 3 iterations. iteration 85: trace = 2.451838601374629 (0.00151669% change) large trace change predicted (0.00517262%) linmin: converged after 3 iterations. iteration 86: trace = 2.451711203848058 (0.00519613% change) linmin: converged after 3 iterations. iteration 87: trace = 2.451670300587416 (0.00166837% change) linmin: converged after 3 iterations. iteration 88: trace = 2.451615303884502 (0.00224326% change) linmin: converged after 3 iterations. iteration 89: trace = 2.451565394548157 (0.00203579% change) linmin: converged after 3 iterations. iteration 90: trace = 2.451542779719338 (0.000922469% change) large trace change predicted (0.00192441%) linmin: converged after 3 iterations. iteration 91: trace = 2.451495500035742 (0.00192859% change) linmin: converged after 3 iterations. iteration 92: trace = 2.451437382440417 (0.00237073% change) linmin: converged after 8 iterations. iteration 93: trace = 2.451416418763382 (0.000855162% change) linmin: converged after 3 iterations. iteration 94: trace = 2.451379675107484 (0.00149889% change) linmin: converged after 3 iterations. iteration 95: trace = 2.451330789677618 (0.00199422% change) linmin: converged after 4 iterations. iteration 96: trace = 2.451319966066881 (0.000441541% change) large trace change predicted (0.00157751%) linmin: converged after 3 iterations. iteration 97: trace = 2.451281182459109 (0.00158216% change) linmin: converged after 3 iterations. iteration 98: trace = 2.451251800497511 (0.00119864% change) linmin: converged after 3 iterations. iteration 99: trace = 2.451242344896484 (0.000385747% change) large trace change predicted (0.00130213%) linmin: converged after 3 iterations. iteration 100: trace = 2.451210407991036 (0.00130289% change) linmin: converged after 3 iterations. iteration 101: trace = 2.451185124632041 (0.00103147% change) linmin: converged after 5 iterations. iteration 102: trace = 2.451169451345729 (0.000639419% change) large trace change predicted (0.00233857%) linmin: converged after 6 iterations. iteration 103: trace = 2.451112170428599 (0.00233691% change) linmin: converged after 4 iterations. iteration 104: trace = 2.451069633666593 (0.00173542% change) linmin: converged after 3 iterations. iteration 105: trace = 2.45101419436472 (0.00226187% change) linmin: converged after 4 iterations. iteration 106: trace = 2.450936180186137 (0.00318299% change) linmin: converged after 3 iterations. iteration 107: trace = 2.450891384751166 (0.0018277% change) linmin: converged after 4 iterations. iteration 108: trace = 2.450830392263574 (0.00248861% change) linmin: converged after 3 iterations. iteration 109: trace = 2.450789550353348 (0.00166647% change) linmin: converged after 5 iterations. iteration 110: trace = 2.450776635805771 (0.000526956% change) large trace change predicted (0.00118372%) linmin: converged after 4 iterations. iteration 111: trace = 2.450747619874162 (0.00118396% change) linmin: converged after 3 iterations. iteration 112: trace = 2.450708423724478 (0.00159937% change) linmin: converged after 3 iterations. iteration 113: trace = 2.450695634228722 (0.000521871% change) large trace change predicted (0.00227149%) linmin: converged after 3 iterations. iteration 114: trace = 2.450639896131186 (0.0022744% change) linmin: converged after 3 iterations. iteration 115: trace = 2.450616660757847 (0.000948139% change) linmin: converged after 4 iterations. iteration 116: trace = 2.450596720659853 (0.00081368% change) linmin: converged after 3 iterations. iteration 117: trace = 2.450567520338584 (0.00119157% change) linmin: converged after 5 iterations. iteration 118: trace = 2.450559845694543 (0.000313179% change) linmin: converged after 4 iterations. iteration 119: trace = 2.450544542488024 (0.00062448% change) linmin: converged after 3 iterations. iteration 120: trace = 2.450517955683939 (0.00108494% change) linmin: converged after 3 iterations. iteration 121: trace = 2.450507948005563 (0.000408391% change) large trace change predicted (0.00138501%) linmin: converged after 6 iterations. iteration 122: trace = 2.450474036353508 (0.00138387% change) linmin: converged after 4 iterations. iteration 123: trace = 2.450413225406624 (0.00248163% change) linmin: converged after 4 iterations. iteration 124: trace = 2.450399681485597 (0.000552721% change) large trace change predicted (0.00263766%) linmin: converged after 4 iterations. iteration 125: trace = 2.450335181533825 (0.00263226% change) linmin: converged after 5 iterations. iteration 126: trace = 2.450316111935002 (0.000778248% change) large trace change predicted (0.00253353%) linmin: converged after 4 iterations. iteration 127: trace = 2.450254091458041 (0.00253115% change) linmin: converged after 3 iterations. iteration 128: trace = 2.450208039654496 (0.00187949% change) linmin: converged after 4 iterations. iteration 129: trace = 2.450189708812981 (0.000748137% change) large trace change predicted (0.0021763%) linmin: converged after 4 iterations. iteration 130: trace = 2.450136474059319 (0.0021727% change) linmin: converged after 3 iterations. iteration 131: trace = 2.450076349204774 (0.00245397% change) linmin: converged after 4 iterations. iteration 132: trace = 2.450058513417881 (0.000727971% change) linmin: converged after 4 iterations. iteration 133: trace = 2.450024248881852 (0.00139853% change) linmin: converged after 6 iterations. iteration 134: trace = 2.449978331020753 (0.0018742% change) linmin: converged after 3 iterations. iteration 135: trace = 2.449968683814162 (0.000393768% change) large trace change predicted (0.00120393%) linmin: converged after 4 iterations. iteration 136: trace = 2.44993918183586 (0.00120419% change) linmin: converged after 4 iterations. iteration 137: trace = 2.44991956824943 (0.000800578% change) linmin: converged after 4 iterations. iteration 138: trace = 2.449912819881661 (0.000275453% change) linmin: converged after 3 iterations. iteration 139: trace = 2.449900501589036 (0.000502807% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.449894807456253 (0.000232423% change) linmin: converged after 3 iterations. iteration 141: trace = 2.44989218038971 (0.000107232% change) large trace change predicted (0.000347579%) linmin: converged after 4 iterations. iteration 142: trace = 2.449883664285972 (0.000347612% change) linmin: converged after 3 iterations. iteration 143: trace = 2.449876668837769 (0.000285542% change) linmin: converged after 4 iterations. iteration 144: trace = 2.449872015836894 (0.000189928% change) large trace change predicted (0.00069959%) linmin: converged after 4 iterations. iteration 145: trace = 2.449854848356567 (0.000700753% change) linmin: converged after 4 iterations. iteration 146: trace = 2.449848307803675 (0.000266978% change) linmin: converged after 3 iterations. iteration 147: trace = 2.449839702844577 (0.000351245% change) linmin: converged after 3 iterations. iteration 148: trace = 2.449826658581972 (0.000532455% change) linmin: converged after 3 iterations. iteration 149: trace = 2.449819979284587 (0.000272644% change) linmin: converged after 3 iterations. iteration 150: trace = 2.449813505447425 (0.000264258% change) linmin: converged after 3 iterations. iteration 151: trace = 2.449804579850275 (0.000364338% change) linmin: converged after 3 iterations. iteration 152: trace = 2.449797600286897 (0.000284903% change) linmin: converged after 3 iterations. iteration 153: trace = 2.44978969985222 (0.000322494% change) linmin: converged after 3 iterations. iteration 154: trace = 2.449775013132724 (0.000599511% change) linmin: converged after 3 iterations. iteration 155: trace = 2.449770908070022 (0.000167569% change) large trace change predicted (0.000429085%) linmin: converged after 3 iterations. iteration 156: trace = 2.4497603962631 (0.000429094% change) linmin: converged after 3 iterations. iteration 157: trace = 2.449754428439246 (0.000243609% change) linmin: converged after 9 iterations. iteration 158: trace = 2.449751678654519 (0.000112247% change) linmin: converged after 3 iterations. iteration 159: trace = 2.449747900517055 (0.000154225% change) linmin: converged after 3 iterations. iteration 160: trace = 2.449743866276483 (0.00016468% change) linmin: converged after 2 iterations. iteration 161: trace = 2.449742696839385 (4.77371e-05% change) large trace change predicted (0.000193751%) linmin: converged after 3 iterations. iteration 162: trace = 2.449737950163642 (0.000193762% change) linmin: converged after 3 iterations. iteration 163: trace = 2.449731593356187 (0.00025949% change) linmin: converged after 3 iterations. iteration 164: trace = 2.449729528942611 (8.4271e-05% change) large trace change predicted (0.000360113%) linmin: converged after 4 iterations. iteration 165: trace = 2.449720701149677 (0.000360359% change) linmin: converged after 4 iterations. iteration 166: trace = 2.449713846129236 (0.000279829% change) linmin: converged after 4 iterations. iteration 167: trace = 2.449711540764405 (9.41076e-05% change) large trace change predicted (0.000273551%) linmin: converged after 3 iterations. iteration 168: trace = 2.449704837156106 (0.000273649% change) linmin: converged after 3 iterations. iteration 169: trace = 2.449697310566911 (0.000307245% change) linmin: converged after 3 iterations. iteration 170: trace = 2.449695044519953 (9.25032e-05% change) large trace change predicted (0.000343592%) linmin: converged after 3 iterations. iteration 171: trace = 2.449686617793979 (0.000343991% change) linmin: converged after 3 iterations. iteration 172: trace = 2.449677838280267 (0.000358394% change) linmin: converged after 4 iterations. iteration 173: trace = 2.449674403276298 (0.000140223% change) large trace change predicted (0.000280535%) linmin: converged after 5 iterations. iteration 174: trace = 2.449667524592512 (0.0002808% change) linmin: converged after 4 iterations. iteration 175: trace = 2.449659843868781 (0.000313542% change) linmin: converged after 3 iterations. iteration 176: trace = 2.449657785869432 (8.40117e-05% change) large trace change predicted (0.000240541%) linmin: converged after 4 iterations. iteration 177: trace = 2.449651893919608 (0.000240522% change) linmin: converged after 3 iterations. iteration 178: trace = 2.449647775934057 (0.000168105% change) linmin: converged after 3 iterations. iteration 179: trace = 2.449645788577494 (8.11283e-05% change) large trace change predicted (0.000190697%) linmin: converged after 4 iterations. iteration 180: trace = 2.449641119065572 (0.00019062% change) linmin: converged after 5 iterations. iteration 181: trace = 2.449636565772971 (0.000185876% change) linmin: converged after 4 iterations. iteration 182: trace = 2.44963438518716 (8.90167e-05% change) large trace change predicted (0.000269165%) linmin: converged after 4 iterations. iteration 183: trace = 2.449627808941738 (0.000268459% change) linmin: converged after 5 iterations. iteration 184: trace = 2.449623518946007 (0.000175129% change) linmin: converged after 6 iterations. iteration 185: trace = 2.449619990401048 (0.000144044% change) large trace change predicted (0.000335612%) linmin: converged after 4 iterations. iteration 186: trace = 2.449611786240418 (0.000334916% change) linmin: converged after 4 iterations. iteration 187: trace = 2.449608182807687 (0.000147102% change) linmin: converged after 3 iterations. iteration 188: trace = 2.449605423969706 (0.000112624% change) large trace change predicted (0.000303692%) linmin: converged after 8 iterations. iteration 189: trace = 2.449597989999981 (0.000303477% change) linmin: converged after 4 iterations. iteration 190: trace = 2.449593731575493 (0.000173842% change) linmin: converged after 4 iterations. iteration 191: trace = 2.449588319829075 (0.000220924% change) large trace change predicted (0.000564295%) linmin: converged after 3 iterations. iteration 192: trace = 2.449574492403736 (0.000564481% change) linmin: converged after 7 iterations. iteration 193: trace = 2.44957168133793 (0.000114757% change) large trace change predicted (0.000469169%) linmin: converged after 3 iterations. iteration 194: trace = 2.44956017309008 (0.000469808% change) linmin: converged after 3 iterations. iteration 195: trace = 2.449553382156658 (0.000277231% change) linmin: converged after 3 iterations. iteration 196: trace = 2.449550713519895 (0.000108944% change) linmin: converged after 5 iterations. iteration 197: trace = 2.449545924429994 (0.000195509% change) linmin: converged after 3 iterations. iteration 198: trace = 2.449540218602736 (0.000232934% change) linmin: converged after 3 iterations. iteration 199: trace = 2.449538417206486 (7.35402e-05% change) large trace change predicted (0.000254779%) linmin: converged after 3 iterations. iteration 200: trace = 2.449532169436838 (0.000255059% change) linmin: converged after 5 iterations. iteration 201: trace = 2.449528067861914 (0.000167443% change) linmin: converged after 3 iterations. iteration 202: trace = 2.449524503640031 (0.000145507% change) large trace change predicted (0.000362752%) linmin: converged after 3 iterations. iteration 203: trace = 2.449515610964782 (0.000363037% change) linmin: converged after 3 iterations. iteration 204: trace = 2.449507041026361 (0.000349863% change) linmin: converged after 3 iterations. iteration 205: trace = 2.449500347649236 (0.000273254% change) linmin: converged after 3 iterations. iteration 206: trace = 2.44949265562893 (0.000314025% change) linmin: converged after 3 iterations. iteration 207: trace = 2.449486583240246 (0.000247904% change) linmin: converged after 6 iterations. iteration 208: trace = 2.449478073971598 (0.00034739% change) linmin: converged after 3 iterations. iteration 209: trace = 2.449461103627731 (0.000692817% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.449458112690228 (0.000122106% change) linmin: converged after 3 iterations. iteration 211: trace = 2.449453772688644 (0.000177182% change) linmin: converged after 4 iterations. iteration 212: trace = 2.449448028949936 (0.000234491% change) linmin: converged after 3 iterations. iteration 213: trace = 2.449446164243894 (7.61276e-05% change) large trace change predicted (0.000169819%) linmin: converged after 3 iterations. iteration 214: trace = 2.449442005059232 (0.000169801% change) linmin: converged after 4 iterations. iteration 215: trace = 2.44943687769927 (0.000209328% change) linmin: converged after 3 iterations. iteration 216: trace = 2.449435878329478 (4.08e-05% change) large trace change predicted (0.000117212%) linmin: converged after 3 iterations. iteration 217: trace = 2.449433007876016 (0.000117188% change) linmin: converged after 3 iterations. iteration 218: trace = 2.449431278028424 (7.06224e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.449430729737943 (2.23844e-05% change) large trace change predicted (7.94434e-05%) linmin: converged after 3 iterations. iteration 220: trace = 2.449428784156017 (7.943e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.449427093991445 (6.90024e-05% change) linmin: converged after 5 iterations. iteration 222: trace = 2.44942620850447 (3.61508e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.449424545631271 (6.78883e-05% change) linmin: converged after 4 iterations. iteration 224: trace = 2.449422508885449 (8.3152e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 2.449421379553375 (4.61061e-05% change) large trace change predicted (0.000127276%) linmin: converged after 3 iterations. iteration 226: trace = 2.449418262715337 (0.000127248% change) linmin: converged after 3 iterations. iteration 227: trace = 2.449416362177955 (7.75914e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.449415227517519 (4.63237e-05% change) large trace change predicted (0.000127924%) linmin: converged after 3 iterations. iteration 229: trace = 2.449412093136151 (0.000127965% change) linmin: converged after 3 iterations. iteration 230: trace = 2.449410383381101 (6.98027e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.449408557909533 (7.4527e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.449406557521023 (8.16683e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.449405121466212 (5.86287e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.449404283427615 (3.4214e-05% change) large trace change predicted (8.22352e-05%) linmin: converged after 3 iterations. iteration 235: trace = 2.449402267249879 (8.2313e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.449400604098859 (6.79003e-05% change) linmin: converged after 4 iterations. iteration 237: trace = 2.449399711006797 (3.64617e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.449398559350344 (4.70179e-05% change) linmin: converged after 3 iterations. iteration 239: trace = 2.449397676324221 (3.60507e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.449397140248872 (2.1886e-05% change) linmin: converged after 4 iterations. iteration 241: trace = 2.449396141907888 (4.07586e-05% change) linmin: converged after 4 iterations. iteration 242: trace = 2.449395682477338 (1.87569e-05% change) linmin: converged after 2 iterations. iteration 243: trace = 2.449394822468462 (3.51111e-05% change) linmin: converged after 5 iterations. iteration 244: trace = 2.449393696944044 (4.59511e-05% change) linmin: converged after 4 iterations. iteration 245: trace = 2.44939297320229 (2.95478e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.449391733958175 (5.05939e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.449389699471952 (8.30609e-05% change) linmin: converged after 3 iterations. iteration 248: trace = 2.449389283936811 (1.69648e-05% change) large trace change predicted (5.17013e-05%) linmin: converged after 5 iterations. iteration 249: trace = 2.449388017709373 (5.16957e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.449386829212846 (4.85222e-05% change) linmin: converged after 5 iterations. iteration 251: trace = 2.449386452552643 (1.53777e-05% change) large trace change predicted (8.24551e-05%) linmin: converged after 3 iterations. iteration 252: trace = 2.449384434064409 (8.24079e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.449383219451633 (4.95885e-05% change) linmin: converged after 5 iterations. iteration 254: trace = 2.449382685119716 (2.1815e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.449381793483696 (3.64025e-05% change) linmin: converged after 4 iterations. iteration 256: trace = 2.44938076716259 (4.19012e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.449380244097084 (2.1355e-05% change) large trace change predicted (4.27653e-05%) linmin: converged after 18 iterations. iteration 258: trace = 2.449379196604692 (4.27656e-05% change) linmin: converged after 5 iterations. iteration 259: trace = 2.449378424706657 (3.1514e-05% change) linmin: converged after 4 iterations. iteration 260: trace = 2.44937786277698 (2.29417e-05% change) linmin: converged after 8 iterations. iteration 261: trace = 2.449377057286336 (3.28855e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.449376176118371 (3.59752e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.449375556948499 (2.52787e-05% change) large trace change predicted (6.35408e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.449374001064563 (6.35217e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.44937332091431 (2.77683e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.449371976692729 (5.48802e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.449369845323015 (8.7017e-05% change) linmin: converged after 5 iterations. iteration 268: trace = 2.449369361660958 (1.97464e-05% change) large trace change predicted (5.89099e-05%) linmin: converged after 5 iterations. iteration 269: trace = 2.449367919423626 (5.8882e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.449366777428375 (4.66241e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.44936642983688 (1.41911e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.449365765809774 (2.71102e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.449364508576624 (5.13289e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.449364200448629 (1.25799e-05% change) large trace change predicted (5.33552e-05%) linmin: converged after 5 iterations. iteration 275: trace = 2.449362893431199 (5.33615e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.44936201234216 (3.59722e-05% change) linmin: converged after 4 iterations. iteration 277: trace = 2.449361775835222 (9.65586e-06% change) large trace change predicted (3.25564e-05%) linmin: converged after 4 iterations. iteration 278: trace = 2.449360978372377 (3.2558e-05% change) linmin: converged after 3 iterations. iteration 279: trace = 2.449360489669767 (1.99523e-05% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.44936035885647 (5.34071e-06% change) large trace change predicted (1.13115e-05%) linmin: converged after 4 iterations. iteration 281: trace = 2.449360081788123 (1.13119e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.449359715255381 (1.49644e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.44935946612994 (1.0171e-05% change) large trace change predicted (2.89618e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.44935875664032 (2.89663e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.44935780750131 (3.87505e-05% change) linmin: converged after 3 iterations. iteration 286: trace = 2.449357444958249 (1.48016e-05% change) large trace change predicted (3.94878e-05%) linmin: converged after 3 iterations. iteration 287: trace = 2.449356477601795 (3.94943e-05% change) linmin: converged after 5 iterations. iteration 288: trace = 2.449356173267169 (1.24251e-05% change) linmin: converged after 3 iterations. iteration 289: trace = 2.449355809229161 (1.48626e-05% change) large trace change predicted (3.10951e-05%) linmin: converged after 4 iterations. iteration 290: trace = 2.449355047525901 (3.10981e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.449354291692601 (3.08585e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.449353777418593 (2.09963e-05% change) large trace change predicted (4.27282e-05%) linmin: converged after 4 iterations. iteration 293: trace = 2.449352730675097 (4.27355e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.44935189967874 (3.39272e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.449351602363635 (1.21385e-05% change) large trace change predicted (3.70076e-05%) linmin: converged after 4 iterations. iteration 296: trace = 2.449350695758482 (3.70141e-05% change) linmin: converged after 2 iterations. iteration 297: trace = 2.449350445131554 (1.02324e-05% change) linmin: converged after 4 iterations. iteration 298: trace = 2.449349958064664 (1.98856e-05% change) linmin: converged after 4 iterations. iteration 299: trace = 2.449349570822366 (1.581e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.449349258376479 (1.27563e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.449348903416984 (1.4492e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.44934828034559 (2.54382e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.449348047013652 (9.52629e-06% change) large trace change predicted (2.67784e-05%) linmin: converged after 7 iterations. iteration 304: trace = 2.449347391096997 (2.67792e-05% change) linmin: converged after 5 iterations. iteration 305: trace = 2.449346772318718 (2.5263e-05% change) linmin: converged after 3 iterations. iteration 306: trace = 2.449346251653882 (2.12573e-05% change) linmin: converged after 4 iterations. iteration 307: trace = 2.449345928796927 (1.31814e-05% change) large trace change predicted (3.13854e-05%) linmin: converged after 4 iterations. iteration 308: trace = 2.449345159908831 (3.13916e-05% change) linmin: converged after 3 iterations. iteration 309: trace = 2.449344700007341 (1.87765e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.449344461723959 (9.72845e-06% change) large trace change predicted (2.59965e-05%) linmin: converged after 3 iterations. iteration 311: trace = 2.449343824905439 (2.59996e-05% change) linmin: converged after 13 iterations. iteration 312: trace = 2.449343407993338 (1.70214e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.449342805493095 (2.45984e-05% change) linmin: converged after 3 iterations. iteration 314: trace = 2.44934203354582 (3.15165e-05% change) linmin: converged after 3 iterations. iteration 315: trace = 2.449341678730135 (1.44862e-05% change) linmin: converged after 5 iterations. iteration 316: trace = 2.44934140149551 (1.13187e-05% change) large trace change predicted (2.43969e-05%) linmin: converged after 6 iterations. iteration 317: trace = 2.44934080397584 (2.43951e-05% change) linmin: converged after 3 iterations. iteration 318: trace = 2.449340702299089 (4.15119e-06% change) large trace change predicted (1.53921e-05%) linmin: converged after 6 iterations. iteration 319: trace = 2.449340325357353 (1.53895e-05% change) linmin: converged after 5 iterations. iteration 320: trace = 2.449339981074667 (1.40561e-05% change) linmin: converged after 8 iterations. iteration 321: trace = 2.449339788744149 (7.85234e-06% change) large trace change predicted (2.02789e-05%) linmin: converged after 4 iterations. iteration 322: trace = 2.449339292252254 (2.02704e-05% change) linmin: converged after 7 iterations. iteration 323: trace = 2.44933842160769 (3.55461e-05% change) linmin: converged after 16 iterations. iteration 324: trace = 2.449338186363222 (9.60441e-06% change) large trace change predicted (1.98379e-05%) linmin: converged after 3 iterations. iteration 325: trace = 2.449337700681085 (1.98291e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.449337031157789 (2.73349e-05% change) linmin: converged after 2 iterations. iteration 327: trace = 2.449336828199743 (8.28624e-06% change) large trace change predicted (2.8027e-05%) linmin: converged after 7 iterations. iteration 328: trace = 2.449336141930802 (2.80186e-05% change) linmin: converged after 4 iterations. iteration 329: trace = 2.449335000529667 (4.66004e-05% change) linmin: converged after 6 iterations. iteration 330: trace = 2.449334697911085 (1.23551e-05% change) large trace change predicted (4.78638e-05%) linmin: converged after 4 iterations. iteration 331: trace = 2.449333525369122 (4.78719e-05% change) linmin: converged after 4 iterations. iteration 332: trace = 2.449332696693291 (3.38327e-05% change) linmin: converged after 3 iterations. iteration 333: trace = 2.449332281081491 (1.69684e-05% change) large trace change predicted (3.54123e-05%) linmin: converged after 4 iterations. iteration 334: trace = 2.449331413512703 (3.54206e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.449330622941821 (3.2277e-05% change) linmin: converged after 3 iterations. iteration 336: trace = 2.449330428852425 (7.92418e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.449330054764462 (1.52731e-05% change) linmin: converged after 3 iterations. iteration 338: trace = 2.449329577707699 (1.9477e-05% change) linmin: converged after 12 iterations. iteration 339: trace = 2.449329458124164 (4.8823e-06% change) large trace change predicted (2.24194e-05%) linmin: converged after 3 iterations. iteration 340: trace = 2.449328908915495 (2.24228e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.449328374324598 (2.1826e-05% change) linmin: converged after 4 iterations. iteration 342: trace = 2.449328131852412 (9.89954e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.44932765071075 (1.96438e-05% change) large trace change predicted (4.09563e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.449326647324357 (4.09658e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.449326292401046 (1.44906e-05% change) large trace change predicted (4.28457e-05%) linmin: converged after 4 iterations. iteration 346: trace = 2.449325242652457 (4.28587e-05% change) linmin: converged after 4 iterations. iteration 347: trace = 2.449324565108769 (2.76625e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.449324247739938 (1.29574e-05% change) large trace change predicted (6.52592e-05%) linmin: converged after 3 iterations. iteration 349: trace = 2.449322648755448 (6.52827e-05% change) resetting CG direction... linmin: converged after 10 iterations. iteration 350: trace = 2.44932182330082 (3.37013e-05% change) linmin: converged after 5 iterations. iteration 351: trace = 2.449321538657195 (1.16213e-05% change) large trace change predicted (2.70756e-05%) linmin: converged after 10 iterations. iteration 352: trace = 2.44932087548005 (2.7076e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.449320415058727 (1.87979e-05% change) linmin: converged after 2 iterations. iteration 354: trace = 2.449320089926187 (1.32744e-05% change) large trace change predicted (3.06443e-05%) linmin: converged after 4 iterations. iteration 355: trace = 2.449319339410571 (3.06418e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.449319050758693 (1.1785e-05% change) linmin: converged after 4 iterations. iteration 357: trace = 2.449318841369459 (8.54888e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.449318525134029 (1.29112e-05% change) linmin: converged after 4 iterations. iteration 359: trace = 2.449318339437406 (7.58156e-06% change) linmin: converged after 5 iterations. iteration 360: trace = 2.449318141226692 (8.09249e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.44931787948778 (1.06862e-05% change) linmin: converged after 5 iterations. iteration 362: trace = 2.44931770640425 (7.0666e-06% change) linmin: converged after 5 iterations. iteration 363: trace = 2.449317560495567 (5.95712e-06% change) large trace change predicted (1.60532e-05%) linmin: converged after 5 iterations. iteration 364: trace = 2.44931716739285 (1.60495e-05% change) linmin: converged after 4 iterations. iteration 365: trace = 2.449316941746309 (9.21263e-06% change) linmin: converged after 3 iterations. iteration 366: trace = 2.449316538167191 (1.64772e-05% change) linmin: converged after 6 iterations. iteration 367: trace = 2.449316176695425 (1.47581e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.449315946222193 (9.4097e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.449315506213344 (1.79646e-05% change) linmin: converged after 10 iterations. iteration 370: trace = 2.449314980645124 (2.14578e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.449314813028352 (6.84341e-06% change) large trace change predicted (1.37181e-05%) linmin: converged after 3 iterations. iteration 372: trace = 2.449314477003282 (1.37191e-05% change) linmin: converged after 4 iterations. iteration 373: trace = 2.449314086267051 (1.59529e-05% change) linmin: converged after 3 iterations. iteration 374: trace = 2.449313882630461 (8.31403e-06% change) linmin: converged after 3 iterations. iteration 375: trace = 2.449313638819782 (9.95424e-06% change) linmin: converged after 4 iterations. iteration 376: trace = 2.449313274468424 (1.48757e-05% change) linmin: converged after 4 iterations. iteration 377: trace = 2.449313158039814 (4.75352e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.44931297582067 (7.4396e-06% change) linmin: converged after 5 iterations. iteration 379: trace = 2.44931280615865 (6.92692e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.449312681184396 (5.10242e-06% change) linmin: converged after 5 iterations. iteration 381: trace = 2.4493126069395 (3.03125e-06% change) large trace change predicted (6.83387e-06%) linmin: converged after 2 iterations. iteration 382: trace = 2.449312439554117 (6.83397e-06% change) linmin: converged after 5 iterations. iteration 383: trace = 2.449312362010223 (3.16595e-06% change) linmin: converged after 7 iterations. iteration 384: trace = 2.449312221693228 (5.72883e-06% change) large trace change predicted (1.2079e-05%) linmin: converged after 3 iterations. iteration 385: trace = 2.449311925884899 (1.20772e-05% change) linmin: converged after 3 iterations. iteration 386: trace = 2.449311787177985 (5.6631e-06% change) large trace change predicted (1.32399e-05%) linmin: converged after 5 iterations. iteration 387: trace = 2.449311462937392 (1.3238e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.449311287172683 (7.17609e-06% change) linmin: converged after 8 iterations. iteration 389: trace = 2.449311185924481 (4.13374e-06% change) large trace change predicted (9.60227e-06%) linmin: converged after 5 iterations. iteration 390: trace = 2.449310950783617 (9.60029e-06% change) linmin: converged after 5 iterations. iteration 391: trace = 2.449310640862508 (1.26534e-05% change) linmin: converged after 7 iterations. iteration 392: trace = 2.449310564375911 (3.12278e-06% change) large trace change predicted (1.03205e-05%) linmin: converged after 3 iterations. iteration 393: trace = 2.449310311632106 (1.0319e-05% change) linmin: converged after 3 iterations. iteration 394: trace = 2.449310112374825 (8.13524e-06% change) linmin: converged after 3 iterations. iteration 395: trace = 2.449310036078187 (3.11503e-06% change) large trace change predicted (8.76138e-06%) linmin: converged after 4 iterations. iteration 396: trace = 2.449309821484943 (8.76138e-06% change) linmin: converged after 5 iterations. iteration 397: trace = 2.449309636933419 (7.53484e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.449309582587313 (2.21883e-06% change) large trace change predicted (7.83039e-06%) linmin: converged after 5 iterations. iteration 399: trace = 2.449309390799596 (7.83028e-06% change) linmin: converged after 5 iterations. iteration 400: trace = 2.449309275333445 (4.71423e-06% change) linmin: converged after 23 iterations. iteration 401: trace = 2.449309223830472 (2.10276e-06% change) large trace change predicted (8.60694e-06%) linmin: converged after 6 iterations. iteration 402: trace = 2.449309013034717 (8.60634e-06% change) linmin: converged after 5 iterations. iteration 403: trace = 2.449308868186215 (5.91385e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.449308722834678 (5.93439e-06% change) linmin: converged after 9 iterations. iteration 405: trace = 2.449308522941983 (8.16119e-06% change) linmin: converged after 4 iterations. iteration 406: trace = 2.449308287529242 (9.6114e-06% change) linmin: converged after 11 iterations. iteration 407: trace = 2.449308225446371 (2.53471e-06% change) large trace change predicted (9.59192e-06%) linmin: converged after 5 iterations. iteration 408: trace = 2.449307990533196 (9.591e-06% change) linmin: converged after 2 iterations. iteration 409: trace = 2.44930786039872 (5.31311e-06% change) linmin: converged after 5 iterations. iteration 410: trace = 2.449307776754267 (3.41502e-06% change) linmin: converged after 4 iterations. iteration 411: trace = 2.44930766019738 (4.75877e-06% change) linmin: converged after 4 iterations. iteration 412: trace = 2.449307480245329 (7.34706e-06% change) linmin: converged after 7 iterations. iteration 413: trace = 2.44930741895273 (2.50245e-06% change) large trace change predicted (7.13145e-06%) linmin: converged after 5 iterations. iteration 414: trace = 2.449307244315649 (7.13006e-06% change) linmin: converged after 3 iterations. iteration 415: trace = 2.449307130174472 (4.66014e-06% change) linmin: converged after 3 iterations. iteration 416: trace = 2.449307041358999 (3.62615e-06% change) linmin: converged after 6 iterations. iteration 417: trace = 2.449306907042652 (5.48385e-06% change) linmin: converged after 7 iterations. iteration 418: trace = 2.449306846411126 (2.47546e-06% change) linmin: converged after 4 iterations. iteration 419: trace = 2.449306816804892 (1.20876e-06% change) resetting CG direction... linmin: converged after 15 iterations. iteration 420: trace = 2.449306792418263 (9.95654e-07% change) linmin: converged after 5 iterations. iteration 421: trace = 2.449306755408211 (1.51104e-06% change) large trace change predicted (3.63985e-06%) linmin: converged after 6 iterations. iteration 422: trace = 2.449306666252821 (3.64003e-06% change) linmin: converged after 4 iterations. iteration 423: trace = 2.449306602136914 (2.61772e-06% change) linmin: converged after 3 iterations. iteration 424: trace = 2.449306519641126 (3.36813e-06% change) large trace change predicted (8.18725e-06%) linmin: converged after 4 iterations. iteration 425: trace = 2.44930631908724 (8.18819e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.449306271600339 (1.93879e-06% change) large trace change predicted (5.88032e-06%) linmin: converged after 5 iterations. iteration 427: trace = 2.449306127565736 (5.88063e-06% change) linmin: converged after 3 iterations. iteration 428: trace = 2.449306027614528 (4.0808e-06% change) linmin: converged after 5 iterations. iteration 429: trace = 2.449305994655025 (1.34567e-06% change) large trace change predicted (6.4049e-06%) linmin: converged after 4 iterations. iteration 430: trace = 2.449305837770847 (6.40525e-06% change) linmin: converged after 2 iterations. iteration 431: trace = 2.449305705704582 (5.39199e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.449305638951834 (2.72537e-06% change) large trace change predicted (6.01762e-06%) linmin: converged after 3 iterations. iteration 433: trace = 2.449305491556085 (6.01786e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.449305313775604 (7.2584e-06% change) linmin: converged after 3 iterations. iteration 435: trace = 2.449305256364343 (2.34398e-06% change) large trace change predicted (7.67122e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.449305068459433 (7.67176e-06% change) linmin: converged after 2 iterations. iteration 437: trace = 2.449304958419962 (4.49268e-06% change) linmin: converged after 3 iterations. iteration 438: trace = 2.449304917886444 (1.6549e-06% change) large trace change predicted (3.31934e-06%) linmin: converged after 4 iterations. iteration 439: trace = 2.449304836582585 (3.31947e-06% change) linmin: converged after 4 iterations. iteration 440: trace = 2.449304711689658 (5.09912e-06% change) linmin: converged after 2 iterations. iteration 441: trace = 2.449304680326612 (1.28049e-06% change) large trace change predicted (4.22057e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.449304576941234 (4.22101e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.449304431279818 (5.94705e-06% change) linmin: converged after 8 iterations. iteration 444: trace = 2.449304383313033 (1.95838e-06% change) large trace change predicted (5.30008e-06%) linmin: converged after 3 iterations. iteration 445: trace = 2.449304253483403 (5.30067e-06% change) linmin: converged after 4 iterations. iteration 446: trace = 2.449304095098798 (6.46651e-06% change) linmin: converged after 8 iterations. iteration 447: trace = 2.449304053698725 (1.69028e-06% change) large trace change predicted (5.97949e-06%) linmin: converged after 5 iterations. iteration 448: trace = 2.449303907232898 (5.9799e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.449303797535602 (4.47871e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.44930373621516 (2.50359e-06% change) linmin: converged after 4 iterations. iteration 451: trace = 2.449303618741786 (4.79619e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.449303439229621 (7.32911e-06% change) linmin: converged after 5 iterations. iteration 453: trace = 2.449303394965906 (1.8072e-06% change) large trace change predicted (6.12269e-06%) linmin: converged after 6 iterations. iteration 454: trace = 2.449303244997532 (6.1229e-06% change) linmin: converged after 18 iterations. iteration 455: trace = 2.449303125429011 (4.88174e-06% change) linmin: converged after 9 iterations. iteration 456: trace = 2.449303093838604 (1.28977e-06% change) large trace change predicted (4.80821e-06%) linmin: converged after 4 iterations. iteration 457: trace = 2.449302976074831 (4.80805e-06% change) linmin: converged after 4 iterations. iteration 458: trace = 2.449302933680515 (1.73087e-06% change) linmin: converged after 7 iterations. iteration 459: trace = 2.449302901682854 (1.3064e-06% change) large trace change predicted (3.03674e-06%) linmin: converged after 3 iterations. iteration 460: trace = 2.449302827309876 (3.0365e-06% change) linmin: converged after 6 iterations. iteration 461: trace = 2.449302741682878 (3.49597e-06% change) linmin: converged after 8 iterations. iteration 462: trace = 2.449302678294404 (2.58802e-06% change) large trace change predicted (7.1125e-06%) linmin: converged after 4 iterations. iteration 463: trace = 2.449302504151457 (7.1099e-06% change) linmin: converged after 4 iterations. iteration 464: trace = 2.449302431382238 (2.97102e-06% change) linmin: converged after 3 iterations. iteration 465: trace = 2.449302322795264 (4.43338e-06% change) linmin: converged after 5 iterations. iteration 466: trace = 2.449302163235641 (6.51449e-06% change) linmin: converged after 4 iterations. iteration 467: trace = 2.449302008603472 (6.31332e-06% change) linmin: converged after 5 iterations. iteration 468: trace = 2.449301954760395 (2.1983e-06% change) large trace change predicted (8.48473e-06%) linmin: converged after 4 iterations. iteration 469: trace = 2.449301746929865 (8.4853e-06% change) linmin: converged after 3 iterations. iteration 470: trace = 2.44930158499688 (6.61139e-06% change) linmin: converged after 2 iterations. iteration 471: trace = 2.449301519537809 (2.67256e-06% change) large trace change predicted (9.02635e-06%) linmin: converged after 4 iterations. iteration 472: trace = 2.44930129839495 (9.02881e-06% change) linmin: converged after 3 iterations. iteration 473: trace = 2.449301095773646 (8.27262e-06% change) linmin: converged after 6 iterations. iteration 474: trace = 2.449301056541607 (1.60176e-06% change) large trace change predicted (5.27166e-06%) linmin: converged after 3 iterations. iteration 475: trace = 2.44930092741027 (5.27217e-06% change) linmin: converged after 4 iterations. iteration 476: trace = 2.449300845753241 (3.33389e-06% change) linmin: converged after 5 iterations. iteration 477: trace = 2.449300815360409 (1.24088e-06% change) large trace change predicted (4.15168e-06%) linmin: converged after 3 iterations. iteration 478: trace = 2.449300713665282 (4.15201e-06% change) linmin: converged after 5 iterations. iteration 479: trace = 2.44930065569095 (2.36697e-06% change) linmin: converged after 9 iterations. iteration 480: trace = 2.449300597626611 (2.37065e-06% change) linmin: converged after 4 iterations. iteration 481: trace = 2.449300520992366 (3.12882e-06% change) linmin: converged after 2 iterations. iteration 482: trace = 2.449300397210258 (5.05377e-06% change) linmin: converged after 4 iterations. iteration 483: trace = 2.449300361225267 (1.46919e-06% change) large trace change predicted (7.04655e-06%) linmin: converged after 4 iterations. iteration 484: trace = 2.449300188636986 (7.04643e-06% change) linmin: converged after 6 iterations. iteration 485: trace = 2.449300078732668 (4.48717e-06% change) linmin: converged after 3 iterations. iteration 486: trace = 2.449300012246638 (2.71449e-06% change) large trace change predicted (8.02864e-06%) linmin: converged after 5 iterations. iteration 487: trace = 2.44929981560621 (8.02843e-06% change) linmin: converged after 4 iterations. iteration 488: trace = 2.449299699773492 (4.72922e-06% change) linmin: converged after 3 iterations. iteration 489: trace = 2.449299554635778 (5.92568e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 490: trace = 2.449299429470633 (5.11024e-06% change) linmin: converged after 6 iterations. iteration 491: trace = 2.44929934287215 (3.53564e-06% change) linmin: converged after 2 iterations. iteration 492: trace = 2.449299184030745 (6.48518e-06% change) linmin: converged after 2 iterations. iteration 493: trace = 2.4492991172159 (2.72792e-06% change) linmin: converged after 3 iterations. iteration 494: trace = 2.449299029092498 (3.5979e-06% change) linmin: converged after 6 iterations. iteration 495: trace = 2.449298878690034 (6.14063e-06% change) linmin: converged after 9 iterations. iteration 496: trace = 2.449298852434448 (1.07196e-06% change) large trace change predicted (3.65764e-06%) linmin: converged after 5 iterations. iteration 497: trace = 2.449298762853906 (3.6574e-06% change) linmin: converged after 3 iterations. iteration 498: trace = 2.449298701121422 (2.52041e-06% change) linmin: converged after 8 iterations. iteration 499: trace = 2.449298684309333 (6.86404e-07% change) large trace change predicted (2.9529e-06%) linmin: converged after 3 iterations. iteration 500: trace = 2.449298611988475 (2.95272e-06% change) linmin: converged after 4 iterations. iteration 501: trace = 2.449298544671136 (2.74843e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.449298524508349 (8.23207e-07% change) large trace change predicted (2.02023e-06%) linmin: converged after 3 iterations. iteration 503: trace = 2.449298475026414 (2.02025e-06% change) linmin: converged after 6 iterations. iteration 504: trace = 2.449298389023014 (3.51135e-06% change) linmin: converged after 7 iterations. iteration 505: trace = 2.449298367868543 (8.63695e-07% change) large trace change predicted (5.21918e-06%) linmin: converged after 11 iterations. iteration 506: trace = 2.449298240054867 (5.21838e-06% change) linmin: converged after 3 iterations. iteration 507: trace = 2.449298135550526 (4.26671e-06% change) linmin: converged after 4 iterations. iteration 508: trace = 2.449298096211906 (1.60612e-06% change) large trace change predicted (3.74886e-06%) linmin: converged after 5 iterations. iteration 509: trace = 2.449298004395614 (3.74868e-06% change) linmin: converged after 3 iterations. iteration 510: trace = 2.449297894952925 (4.46833e-06% change) linmin: converged after 5 iterations. iteration 511: trace = 2.449297866227305 (1.17281e-06% change) large trace change predicted (3.52397e-06%) linmin: converged after 5 iterations. iteration 512: trace = 2.449297779911246 (3.52411e-06% change) linmin: converged after 4 iterations. iteration 513: trace = 2.449297717736781 (2.53846e-06% change) linmin: converged after 2 iterations. iteration 514: trace = 2.44929767422181 (1.77663e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.449297595829442 (3.20061e-06% change) linmin: converged after 5 iterations. iteration 516: trace = 2.449297535145935 (2.47759e-06% change) linmin: converged after 16 iterations. iteration 517: trace = 2.449297502630137 (1.32756e-06% change) linmin: converged after 5 iterations. iteration 518: trace = 2.449297448020834 (2.22959e-06% change) linmin: converged after 4 iterations. iteration 519: trace = 2.449297416470452 (1.28814e-06% change) linmin: converged after 10 iterations. iteration 520: trace = 2.449297391050599 (1.03784e-06% change) linmin: converged after 6 iterations. iteration 521: trace = 2.449297372997664 (7.37066e-07% change) large trace change predicted (1.84029e-06%) linmin: converged after 21 iterations. iteration 522: trace = 2.449297327923096 (1.84031e-06% change) linmin: converged after 3 iterations. iteration 523: trace = 2.449297313603914 (5.84624e-07% change) large trace change predicted (1.99333e-06%) linmin: converged after 6 iterations. iteration 524: trace = 2.44929726478399 (1.99322e-06% change) linmin: converged after 4 iterations. iteration 525: trace = 2.449297211835038 (2.1618e-06% change) linmin: converged after 5 iterations. iteration 526: trace = 2.449297190260008 (8.80866e-07% change) large trace change predicted (3.57537e-06%) linmin: converged after 4 iterations. iteration 527: trace = 2.449297102693991 (3.57515e-06% change) linmin: converged after 3 iterations. iteration 528: trace = 2.449297053396339 (2.01273e-06% change) linmin: converged after 11 iterations. iteration 529: trace = 2.449297032619429 (8.48281e-07% change) linmin: converged after 4 iterations. iteration 530: trace = 2.449296992673108 (1.63093e-06% change) linmin: converged after 4 iterations. iteration 531: trace = 2.44929693720552 (2.26463e-06% change) linmin: converged after 4 iterations. iteration 532: trace = 2.449296918078637 (7.80913e-07% change) large trace change predicted (2.63007e-06%) linmin: converged after 8 iterations. iteration 533: trace = 2.449296853660734 (2.63006e-06% change) linmin: converged after 11 iterations. iteration 534: trace = 2.449296804496899 (2.00726e-06% change) linmin: converged after 4 iterations. iteration 535: trace = 2.449296787316758 (7.01432e-07% change) large trace change predicted (2.03404e-06%) linmin: converged after 3 iterations. iteration 536: trace = 2.449296737499339 (2.03395e-06% change) linmin: converged after 4 iterations. iteration 537: trace = 2.449296699204011 (1.56352e-06% change) linmin: converged after 24 iterations. iteration 538: trace = 2.449296688959647 (4.18257e-07% change) large trace change predicted (1.80255e-06%) linmin: converged after 7 iterations. iteration 539: trace = 2.449296644811075 (1.8025e-06% change) linmin: converged after 4 iterations. iteration 540: trace = 2.449296623989745 (8.50094e-07% change) linmin: converged after 5 iterations. iteration 541: trace = 2.449296607558735 (6.70846e-07% change) large trace change predicted (1.65871e-06%) linmin: converged after 9 iterations. iteration 542: trace = 2.449296566932979 (1.65867e-06% change) linmin: converged after 12 iterations. iteration 543: trace = 2.449296533664887 (1.35827e-06% change) linmin: converged after 7 iterations. iteration 544: trace = 2.449296499850904 (1.38056e-06% change) linmin: converged after 8 iterations. iteration 545: trace = 2.449296446432119 (2.18098e-06% change) linmin: converged after 4 iterations. iteration 546: trace = 2.449296409222726 (1.51919e-06% change) linmin: converged after 8 iterations. iteration 547: trace = 2.449296389246551 (8.15588e-07% change) large trace change predicted (1.98142e-06%) linmin: converged after 4 iterations. iteration 548: trace = 2.449296340716756 (1.98138e-06% change) linmin: converged after 5 iterations. iteration 549: trace = 2.44929629881578 (1.71074e-06% change) linmin: converged after 16 iterations. iteration 550: trace = 2.449296286326081 (5.0993e-07% change) large trace change predicted (1.11906e-06%) linmin: converged after 4 iterations. iteration 551: trace = 2.449296258917512 (1.11904e-06% change) linmin: converged after 4 iterations. iteration 552: trace = 2.449296221615067 (1.52299e-06% change) linmin: converged after 2 iterations. iteration 553: trace = 2.449296208133059 (5.50444e-07% change) large trace change predicted (1.9645e-06%) linmin: converged after 7 iterations. iteration 554: trace = 2.449296160018755 (1.96441e-06% change) linmin: converged after 4 iterations. iteration 555: trace = 2.449296140838978 (7.83073e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.449296123085604 (7.24836e-07% change) linmin: converged after 3 iterations. iteration 557: trace = 2.449296099647464 (9.56934e-07% change) linmin: converged after 7 iterations. iteration 558: trace = 2.449296088925706 (4.37749e-07% change) linmin: converged after 9 iterations. iteration 559: trace = 2.449296082398317 (2.66501e-07% change) resetting CG direction... linmin: converged after 10 iterations. iteration 560: trace = 2.449296076458252 (2.42521e-07% change) linmin: converged after 4 iterations. iteration 561: trace = 2.449296068067724 (3.42569e-07% change) large trace change predicted (8.2067e-07%) linmin: converged after 3 iterations. iteration 562: trace = 2.449296047966818 (8.20681e-07% change) linmin: converged after 2 iterations. iteration 563: trace = 2.449296033437271 (5.93213e-07% change) linmin: converged after 9 iterations. iteration 564: trace = 2.449296015820339 (7.19265e-07% change) large trace change predicted (1.91135e-06%) linmin: converged after 14 iterations. iteration 565: trace = 2.449295969003428 (1.91144e-06% change) linmin: converged after 4 iterations. iteration 566: trace = 2.449295956077304 (5.27749e-07% change) large trace change predicted (1.34565e-06%) linmin: converged after 2 iterations. iteration 567: trace = 2.449295923118196 (1.34566e-06% change) linmin: converged after 13 iterations. iteration 568: trace = 2.449295899340693 (9.70789e-07% change) linmin: converged after 13 iterations. iteration 569: trace = 2.449295890442377 (3.63301e-07% change) large trace change predicted (1.39342e-06%) linmin: converged after 3 iterations. iteration 570: trace = 2.449295856312726 (1.39345e-06% change) linmin: converged after 16 iterations. iteration 571: trace = 2.449295823140564 (1.35436e-06% change) linmin: converged after 10 iterations. iteration 572: trace = 2.449295807003971 (6.58826e-07% change) large trace change predicted (1.44814e-06%) linmin: converged after 5 iterations. iteration 573: trace = 2.449295771533152 (1.4482e-06% change) linmin: converged after 5 iterations. iteration 574: trace = 2.449295727555186 (1.79554e-06% change) linmin: converged after 9 iterations. iteration 575: trace = 2.449295712153016 (6.28841e-07% change) large trace change predicted (1.3139e-06%) linmin: converged after 7 iterations. iteration 576: trace = 2.449295679970796 (1.31394e-06% change) linmin: converged after 5 iterations. iteration 577: trace = 2.449295651212337 (1.17415e-06% change) linmin: converged after 2 iterations. iteration 578: trace = 2.449295642594985 (3.5183e-07% change) large trace change predicted (8.4235e-07%) linmin: converged after 5 iterations. iteration 579: trace = 2.449295621962583 (8.42381e-07% change) linmin: converged after 21 iterations. iteration 580: trace = 2.449295594146689 (1.13567e-06% change) linmin: converged after 4 iterations. iteration 581: trace = 2.449295587613738 (2.66728e-07% change) large trace change predicted (1.08307e-06%) linmin: converged after 10 iterations. iteration 582: trace = 2.449295561084804 (1.08313e-06% change) linmin: converged after 3 iterations. iteration 583: trace = 2.449295530508905 (1.24835e-06% change) linmin: converged after 4 iterations. iteration 584: trace = 2.449295520181253 (4.21658e-07% change) large trace change predicted (1.42209e-06%) linmin: converged after 9 iterations. iteration 585: trace = 2.449295485348387 (1.42216e-06% change) linmin: converged after 5 iterations. iteration 586: trace = 2.449295446972909 (1.5668e-06% change) linmin: converged after 4 iterations. iteration 587: trace = 2.449295437633795 (3.81298e-07% change) large trace change predicted (1.45631e-06%) linmin: converged after 8 iterations. iteration 588: trace = 2.449295401963015 (1.45637e-06% change) linmin: converged after 10 iterations. iteration 589: trace = 2.449295376839459 (1.02575e-06% change) linmin: converged after 3 iterations. iteration 590: trace = 2.449295361870868 (6.11139e-07% change) linmin: converged after 2 iterations. iteration 591: trace = 2.449295337047406 (1.01349e-06% change) linmin: converged after 4 iterations. iteration 592: trace = 2.449295293299488 (1.78614e-06% change) linmin: converged after 4 iterations. iteration 593: trace = 2.449295282239425 (4.51561e-07% change) large trace change predicted (1.28824e-06%) linmin: converged after 4 iterations. iteration 594: trace = 2.449295250685992 (1.28827e-06% change) linmin: converged after 5 iterations. iteration 595: trace = 2.449295221824196 (1.17837e-06% change) linmin: converged after 2 iterations. iteration 596: trace = 2.44929521386984 (3.24761e-07% change) large trace change predicted (1.03584e-06%) linmin: converged after 4 iterations. iteration 597: trace = 2.449295188499494 (1.03582e-06% change) linmin: converged after 6 iterations. iteration 598: trace = 2.449295177111954 (4.64931e-07% change) linmin: converged after 3 iterations. iteration 599: trace = 2.449295168897962 (3.35361e-07% change) linmin: converged after 4 iterations. iteration 600: trace = 2.449295153614405 (6.23998e-07% change) linmin: converged after 4 iterations. iteration 601: trace = 2.449295131232283 (9.13819e-07% change) linmin: converged after 18 iterations. iteration 602: trace = 2.449295121822322 (3.84191e-07% change) large trace change predicted (1.77567e-06%) linmin: converged after 13 iterations. iteration 603: trace = 2.449295078339307 (1.77533e-06% change) linmin: converged after 4 iterations. iteration 604: trace = 2.449295043926324 (1.40502e-06% change) linmin: converged after 4 iterations. iteration 605: trace = 2.44929503094616 (5.29955e-07% change) large trace change predicted (1.5279e-06%) linmin: converged after 9 iterations. iteration 606: trace = 2.449294993525982 (1.52779e-06% change) linmin: converged after 19 iterations. iteration 607: trace = 2.449294956707033 (1.50325e-06% change) linmin: converged after 2 iterations. iteration 608: trace = 2.449294939272067 (7.11836e-07% change) large trace change predicted (1.60246e-06%) linmin: converged after 3 iterations. iteration 609: trace = 2.449294900021942 (1.60251e-06% change) linmin: converged after 6 iterations. iteration 610: trace = 2.449294857711322 (1.72746e-06% change) linmin: converged after 14 iterations. iteration 611: trace = 2.449294830745647 (1.10096e-06% change) linmin: converged after 4 iterations. iteration 612: trace = 2.44929480176176 (1.18336e-06% change) linmin: converged after 4 iterations. iteration 613: trace = 2.449294753618048 (1.96562e-06% change) linmin: converged after 4 iterations. iteration 614: trace = 2.449294744950016 (3.53899e-07% change) large trace change predicted (1.28832e-06%) linmin: converged after 6 iterations. iteration 615: trace = 2.449294713392934 (1.28842e-06% change) linmin: converged after 4 iterations. iteration 616: trace = 2.449294693129423 (8.2732e-07% change) linmin: converged after 8 iterations. iteration 617: trace = 2.449294677932421 (6.20464e-07% change) linmin: converged after 8 iterations. iteration 618: trace = 2.449294664915564 (5.31453e-07% change) linmin: converged after 9 iterations. iteration 619: trace = 2.449294640543842 (9.95051e-07% change) linmin: converged after 13 iterations. iteration 620: trace = 2.449294633871995 (2.72399e-07% change) large trace change predicted (6.53942e-07%) linmin: converged after 5 iterations. iteration 621: trace = 2.449294617854707 (6.53955e-07% change) linmin: converged after 11 iterations. iteration 622: trace = 2.44929458844143 (1.20089e-06% change) linmin: converged after 13 iterations. iteration 623: trace = 2.449294565662547 (9.30018e-07% change) linmin: converged after 4 iterations. iteration 624: trace = 2.449294538123795 (1.12435e-06% change) linmin: converged after 3 iterations. iteration 625: trace = 2.449294506644298 (1.28525e-06% change) linmin: converged after 7 iterations. iteration 626: trace = 2.449294488678851 (7.33495e-07% change) linmin: converged after 4 iterations. iteration 627: trace = 2.449294456059742 (1.33178e-06% change) linmin: converged after 5 iterations. iteration 628: trace = 2.44929441222657 (1.78962e-06% change) linmin: converged after 5 iterations. iteration 629: trace = 2.44929437856458 (1.37435e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.449294348225139 (1.2387e-06% change) linmin: converged after 6 iterations. iteration 631: trace = 2.449294311729159 (1.49006e-06% change) linmin: converged after 5 iterations. iteration 632: trace = 2.449294283566208 (1.14984e-06% change) linmin: converged after 12 iterations. iteration 633: trace = 2.44929426721953 (6.67404e-07% change) linmin: converged after 3 iterations. iteration 634: trace = 2.449294240152789 (1.10508e-06% change) linmin: converged after 2 iterations. iteration 635: trace = 2.449294216841413 (9.51759e-07% change) linmin: converged after 7 iterations. iteration 636: trace = 2.449294200573756 (6.64177e-07% change) linmin: converged after 3 iterations. iteration 637: trace = 2.44929417672032 (9.7389e-07% change) linmin: converged after 4 iterations. iteration 638: trace = 2.449294169224955 (3.06021e-07% change) linmin: converged after 5 iterations. iteration 639: trace = 2.449294160732715 (3.46722e-07% change) large trace change predicted (7.45905e-07%) linmin: converged after 5 iterations. iteration 640: trace = 2.449294142463735 (7.45888e-07% change) linmin: converged after 2 iterations. iteration 641: trace = 2.449294137792205 (1.9073e-07% change) large trace change predicted (5.92936e-07%) linmin: converged after 5 iterations. iteration 642: trace = 2.449294123269853 (5.9292e-07% change) linmin: converged after 3 iterations. iteration 643: trace = 2.449294110542836 (5.1962e-07% change) linmin: converged after 9 iterations. iteration 644: trace = 2.449294102403012 (3.32333e-07% change) large trace change predicted (6.66144e-07%) linmin: converged after 4 iterations. iteration 645: trace = 2.449294086087627 (6.66126e-07% change) linmin: converged after 9 iterations. iteration 646: trace = 2.449294054702321 (1.2814e-06% change) linmin: converged after 7 iterations. iteration 647: trace = 2.449294040562214 (5.77314e-07% change) linmin: converged after 4 iterations. iteration 648: trace = 2.449294022097127 (7.53894e-07% change) linmin: converged after 8 iterations. iteration 649: trace = 2.449293998998872 (9.43058e-07% change) linmin: converged after 9 iterations. iteration 650: trace = 2.449293981243777 (7.24907e-07% change) linmin: converged after 12 iterations. iteration 651: trace = 2.449293968078251 (5.37523e-07% change) linmin: converged after 16 iterations. iteration 652: trace = 2.449293948649922 (7.93222e-07% change) linmin: converged after 5 iterations. iteration 653: trace = 2.449293939222242 (3.84914e-07% change) linmin: converged after 3 iterations. iteration 654: trace = 2.44929392374868 (6.31756e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.449293905575563 (7.41974e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.449293900160324 (2.21094e-07% change) large trace change predicted (6.95558e-07%) linmin: converged after 4 iterations. iteration 657: trace = 2.449293883122324 (6.95629e-07% change) linmin: converged after 8 iterations. iteration 658: trace = 2.449293870445803 (5.17558e-07% change) linmin: converged after 18 iterations. iteration 659: trace = 2.449293863998098 (2.63248e-07% change) linmin: converged after 15 iterations. iteration 660: trace = 2.449293861031792 (1.21109e-07% change) large trace change predicted (3.32179e-07%) linmin: converged after 3 iterations. iteration 661: trace = 2.449293852895654 (3.32183e-07% change) linmin: converged after 13 iterations. iteration 662: trace = 2.449293842369846 (4.29749e-07% change) linmin: converged after 4 iterations. iteration 663: trace = 2.449293839232275 (1.28101e-07% change) large trace change predicted (4.21875e-07%) linmin: converged after 4 iterations. iteration 664: trace = 2.449293828899499 (4.21868e-07% change) linmin: converged after 4 iterations. iteration 665: trace = 2.449293815336883 (5.53736e-07% change) linmin: converged after 4 iterations. iteration 666: trace = 2.449293810047407 (2.15959e-07% change) large trace change predicted (8.1053e-07%) linmin: converged after 8 iterations. iteration 667: trace = 2.449293790195751 (8.10505e-07% change) linmin: converged after 4 iterations. iteration 668: trace = 2.449293782273859 (3.23436e-07% change) linmin: converged after 11 iterations. iteration 669: trace = 2.449293775394512 (2.80871e-07% change) linmin: converged after 5 iterations. iteration 670: trace = 2.449293764945047 (4.26632e-07% change) linmin: converged after 5 iterations. iteration 671: trace = 2.449293756504798 (3.44599e-07% change) linmin: converged after 4 iterations. iteration 672: trace = 2.44929374722218 (3.78992e-07% change) linmin: converged after 15 iterations. iteration 673: trace = 2.449293731960705 (6.23097e-07% change) linmin: converged after 13 iterations. iteration 674: trace = 2.449293725417255 (2.67157e-07% change) linmin: converged after 4 iterations. iteration 675: trace = 2.44929371615482 (3.78168e-07% change) linmin: converged after 5 iterations. iteration 676: trace = 2.449293704609577 (4.7137e-07% change) linmin: converged after 4 iterations. iteration 677: trace = 2.449293696774195 (3.19904e-07% change) linmin: converged after 2 iterations. iteration 678: trace = 2.449293693571425 (1.30763e-07% change) large trace change predicted (4.15708e-07%) linmin: converged after 16 iterations. iteration 679: trace = 2.449293683389681 (4.15701e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.449293679386666 (1.63435e-07% change) linmin: converged after 23 iterations. iteration 681: trace = 2.449293674621555 (1.9455e-07% change) linmin: converged after 7 iterations. iteration 682: trace = 2.449293665308911 (3.80218e-07% change) linmin: converged after 5 iterations. iteration 683: trace = 2.449293659723073 (2.28059e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.449293649596636 (4.13443e-07% change) linmin: converged after 5 iterations. iteration 685: trace = 2.449293637100528 (5.10192e-07% change) linmin: converged after 5 iterations. iteration 686: trace = 2.449293630006 (2.89656e-07% change) linmin: converged after 3 iterations. iteration 687: trace = 2.449293623719263 (2.56676e-07% change) linmin: converged after 3 iterations. iteration 688: trace = 2.449293612301654 (4.66159e-07% change) linmin: converged after 4 iterations. iteration 689: trace = 2.449293603402506 (3.63335e-07% change) linmin: converged after 4 iterations. iteration 690: trace = 2.449293600123875 (1.3386e-07% change) linmin: converged after 7 iterations. iteration 691: trace = 2.449293593941523 (2.52414e-07% change) linmin: converged after 4 iterations. iteration 692: trace = 2.449293584845991 (3.71353e-07% change) linmin: converged after 3 iterations. iteration 693: trace = 2.449293581503368 (1.36473e-07% change) large trace change predicted (4.86326e-07%) linmin: converged after 5 iterations. iteration 694: trace = 2.449293569592126 (4.86313e-07% change) linmin: converged after 6 iterations. iteration 695: trace = 2.44929356405537 (2.26055e-07% change) linmin: converged after 4 iterations. iteration 696: trace = 2.44929356123884 (1.14994e-07% change) linmin: converged after 4 iterations. iteration 697: trace = 2.449293555906936 (2.17691e-07% change) linmin: converged after 6 iterations. iteration 698: trace = 2.449293553202247 (1.10427e-07% change) linmin: converged after 23 iterations. iteration 699: trace = 2.449293552072011 (4.61454e-08% change) resetting CG direction... linmin: converged after 18 iterations. iteration 700: trace = 2.449293550991635 (4.41097e-08% change) large trace change predicted (9.53215e-08%) linmin: converged after 17 iterations. iteration 701: trace = 2.449293548656932 (9.53215e-08% change) linmin: converged after 10 iterations. iteration 702: trace = 2.449293544302831 (1.7777e-07% change) linmin: converged after 14 iterations. iteration 703: trace = 2.449293542252224 (8.37224e-08% change) large trace change predicted (2.38125e-07%) linmin: converged after 15 iterations. iteration 704: trace = 2.449293536419747 (2.38129e-07% change) linmin: converged after 5 iterations. iteration 705: trace = 2.449293525471346 (4.47002e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.449293523232405 (9.14117e-08% change) large trace change predicted (3.81117e-07%) linmin: converged after 4 iterations. iteration 707: trace = 2.449293513897719 (3.81117e-07% change) linmin: converged after 2 iterations. iteration 708: trace = 2.44929350925396 (1.89596e-07% change) linmin: converged after 2 iterations. iteration 709: trace = 2.449293507155359 (8.56819e-08% change) large trace change predicted (3.53602e-07%) linmin: converged after 13 iterations. iteration 710: trace = 2.449293498494528 (3.53605e-07% change) linmin: converged after 7 iterations. iteration 711: trace = 2.449293493006601 (2.24062e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.449293487839301 (2.10971e-07% change) linmin: converged after 16 iterations. iteration 713: trace = 2.449293479353592 (3.46455e-07% change) linmin: converged after 4 iterations. iteration 714: trace = 2.449293468416725 (4.46532e-07% change) linmin: converged after 4 iterations. iteration 715: trace = 2.449293466204248 (9.03312e-08% change) large trace change predicted (3.94189e-07%) linmin: converged after 11 iterations. iteration 716: trace = 2.449293456549298 (3.94193e-07% change) linmin: converged after 13 iterations. iteration 717: trace = 2.449293450153768 (2.61117e-07% change) linmin: converged after 6 iterations. iteration 718: trace = 2.449293448035268 (8.64943e-08% change) large trace change predicted (1.93877e-07%) linmin: converged after 28 iterations. iteration 719: trace = 2.449293443286568 (1.9388e-07% change) linmin: converged after 15 iterations. iteration 720: trace = 2.449293436842403 (2.63103e-07% change) linmin: converged after 15 iterations. iteration 721: trace = 2.449293435159273 (6.8719e-08% change) large trace change predicted (2.37797e-07%) linmin: converged after 5 iterations. iteration 722: trace = 2.449293429334772 (2.37803e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.449293422493635 (2.79311e-07% change) linmin: converged after 4 iterations. iteration 724: trace = 2.449293419681655 (1.14808e-07% change) large trace change predicted (3.57375e-07%) linmin: converged after 5 iterations. iteration 725: trace = 2.44929341092825 (3.57385e-07% change) linmin: converged after 15 iterations. iteration 726: trace = 2.449293401365326 (3.90436e-07% change) linmin: converged after 2 iterations. iteration 727: trace = 2.449293399194356 (8.86366e-08% change) large trace change predicted (3.60791e-07%) linmin: converged after 7 iterations. iteration 728: trace = 2.449293390357389 (3.60797e-07% change) linmin: converged after 4 iterations. iteration 729: trace = 2.449293384374638 (2.44264e-07% change) linmin: converged after 5 iterations. iteration 730: trace = 2.44929338047391 (1.59259e-07% change) linmin: converged after 13 iterations. iteration 731: trace = 2.449293374939781 (2.25948e-07% change) linmin: converged after 7 iterations. iteration 732: trace = 2.449293364309407 (4.34018e-07% change) linmin: converged after 4 iterations. iteration 733: trace = 2.44929336120834 (1.26611e-07% change) large trace change predicted (2.67648e-07%) linmin: converged after 10 iterations. iteration 734: trace = 2.449293354652786 (2.67651e-07% change) linmin: converged after 3 iterations. iteration 735: trace = 2.449293347813783 (2.79223e-07% change) linmin: converged after 7 iterations. iteration 736: trace = 2.449293344877164 (1.19897e-07% change) linmin: converged after 7 iterations. iteration 737: trace = 2.449293340072515 (1.96165e-07% change) linmin: converged after 7 iterations. iteration 738: trace = 2.449293336689746 (1.38112e-07% change) linmin: converged after 4 iterations. iteration 739: trace = 2.449293334995321 (6.91801e-08% change) large trace change predicted (1.41621e-07%) linmin: converged after 7 iterations. iteration 740: trace = 2.44929333152668 (1.41618e-07% change) linmin: converged after 5 iterations. iteration 741: trace = 2.449293325592226 (2.42293e-07% change) linmin: converged after 8 iterations. iteration 742: trace = 2.449293323676253 (7.82255e-08% change) large trace change predicted (3.90224e-07%) linmin: converged after 7 iterations. iteration 743: trace = 2.449293314119286 (3.90193e-07% change) linmin: converged after 4 iterations. iteration 744: trace = 2.449293305051359 (3.70226e-07% change) linmin: converged after 4 iterations. iteration 745: trace = 2.449293301228793 (1.56068e-07% change) linmin: converged after 5 iterations. iteration 746: trace = 2.449293293759903 (3.04941e-07% change) linmin: converged after 4 iterations. iteration 747: trace = 2.449293285259246 (3.47066e-07% change) linmin: converged after 4 iterations. iteration 748: trace = 2.449293281581426 (1.50158e-07% change) large trace change predicted (4.0202e-07%) linmin: converged after 5 iterations. iteration 749: trace = 2.449293271734551 (4.02029e-07% change) linmin: converged after 10 iterations. iteration 750: trace = 2.449293261696383 (4.09839e-07% change) linmin: converged after 5 iterations. iteration 751: trace = 2.449293252047075 (3.93963e-07% change) linmin: converged after 12 iterations. iteration 752: trace = 2.449293248615245 (1.40115e-07% change) large trace change predicted (4.7991e-07%) linmin: converged after 6 iterations. iteration 753: trace = 2.449293236860091 (4.79941e-07% change) linmin: converged after 4 iterations. iteration 754: trace = 2.449293230246521 (2.7002e-07% change) linmin: converged after 4 iterations. iteration 755: trace = 2.449293227426234 (1.15147e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.449293222690805 (1.93339e-07% change) linmin: converged after 4 iterations. iteration 757: trace = 2.449293217515391 (2.11302e-07% change) linmin: converged after 24 iterations. iteration 758: trace = 2.449293216083568 (5.84586e-08% change) large trace change predicted (2.31159e-07%) linmin: converged after 7 iterations. iteration 759: trace = 2.449293210421688 (2.31164e-07% change) linmin: converged after 4 iterations. iteration 760: trace = 2.449293208256873 (8.83853e-08% change) linmin: converged after 6 iterations. iteration 761: trace = 2.449293205565157 (1.09898e-07% change) large trace change predicted (3.25563e-07%) linmin: converged after 10 iterations. iteration 762: trace = 2.449293197591006 (3.25569e-07% change) linmin: converged after 4 iterations. iteration 763: trace = 2.449293194292462 (1.34673e-07% change) large trace change predicted (3.36803e-07%) linmin: converged after 4 iterations. iteration 764: trace = 2.449293186043188 (3.36802e-07% change) linmin: converged after 7 iterations. iteration 765: trace = 2.449293178634246 (3.02493e-07% change) linmin: converged after 7 iterations. iteration 766: trace = 2.449293171716965 (2.8242e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.449293166292309 (2.21478e-07% change) linmin: converged after 4 iterations. iteration 768: trace = 2.449293155738745 (4.30882e-07% change) large trace change predicted (3.21908e-06%) linmin: converged after 4 iterations. iteration 769: trace = 2.449293076889345 (3.21927e-06% change) resetting CG direction... linmin: converged after 5 iterations. iteration 770: trace = 2.449293050944771 (1.05927e-06% change) linmin: converged after 2 iterations. iteration 771: trace = 2.449293028044838 (9.34961e-07% change) linmin: converged after 2 iterations. iteration 772: trace = 2.449293016110505 (4.87256e-07% change) linmin: converged after 15 iterations. iteration 773: trace = 2.449293013072651 (1.2403e-07% change) large trace change predicted (3.54214e-07%) linmin: converged after 4 iterations. iteration 774: trace = 2.44929300439681 (3.54218e-07% change) linmin: converged after 4 iterations. iteration 775: trace = 2.449293002083938 (9.44302e-08% change) linmin: converged after 3 iterations. iteration 776: trace = 2.449292999655202 (9.91607e-08% change) linmin: converged after 8 iterations. iteration 777: trace = 2.449292995709639 (1.6109e-07% change) linmin: converged after 7 iterations. iteration 778: trace = 2.449292993842816 (7.62189e-08% change) linmin: converged after 4 iterations. iteration 779: trace = 2.449292990190584 (1.49114e-07% change) linmin: converged after 6 iterations. iteration 780: trace = 2.44929298653819 (1.4912e-07% change) linmin: converged after 17 iterations. iteration 781: trace = 2.44929298559593 (3.84707e-08% change) linmin: converged after 8 iterations. iteration 782: trace = 2.449292984279377 (5.37524e-08% change) linmin: converged after 4 iterations. iteration 783: trace = 2.449292982473056 (7.37487e-08% change) linmin: converged after 4 iterations. iteration 784: trace = 2.449292981266213 (4.92731e-08% change) linmin: converged after 7 iterations. iteration 785: trace = 2.449292978945507 (9.47501e-08% change) linmin: converged after 4 iterations. iteration 786: trace = 2.449292975044584 (1.59267e-07% change) linmin: converged after 4 iterations. iteration 787: trace = 2.449292973549084 (6.10584e-08% change) linmin: converged after 7 iterations. iteration 788: trace = 2.449292971104859 (9.97931e-08% change) linmin: converged after 4 iterations. iteration 789: trace = 2.449292967183476 (1.60103e-07% change) linmin: converged after 4 iterations. iteration 790: trace = 2.449292965303232 (7.67668e-08% change) large trace change predicted (1.98171e-07%) linmin: converged after 6 iterations. iteration 791: trace = 2.449292960449499 (1.98169e-07% change) linmin: converged after 8 iterations. iteration 792: trace = 2.4492929565545 (1.59025e-07% change) linmin: converged after 4 iterations. iteration 793: trace = 2.449292954187952 (9.66217e-08% change) linmin: converged after 7 iterations. iteration 794: trace = 2.449292952501317 (6.88621e-08% change) large trace change predicted (1.50297e-07%) linmin: converged after 6 iterations. iteration 795: trace = 2.449292948820074 (1.50298e-07% change) linmin: converged after 6 iterations. iteration 796: trace = 2.449292946578884 (9.15035e-08% change) linmin: converged after 6 iterations. iteration 797: trace = 2.4492929440756 (1.02204e-07% change) linmin: converged after 6 iterations. iteration 798: trace = 2.44929294184444 (9.1094e-08% change) linmin: converged after 4 iterations. iteration 799: trace = 2.449292939411533 (9.9331e-08% change) linmin: converged after 6 iterations. iteration 800: trace = 2.449292938905594 (2.06565e-08% change) large trace change predicted (6.53231e-08%) linmin: converged after 7 iterations. iteration 801: trace = 2.449292937305603 (6.53246e-08% change) linmin: converged after 3 iterations. iteration 802: trace = 2.449292936225631 (4.40932e-08% change) linmin: converged after 6 iterations. iteration 803: trace = 2.449292935795456 (1.75632e-08% change) large trace change predicted (5.78056e-08%) linmin: converged after 5 iterations. iteration 804: trace = 2.449292934379625 (5.78057e-08% change) linmin: converged after 4 iterations. iteration 805: trace = 2.44929293196233 (9.86936e-08% change) linmin: converged after 3 iterations. iteration 806: trace = 2.449292930871808 (4.45239e-08% change) linmin: converged after 4 iterations. iteration 807: trace = 2.449292929025036 (7.54002e-08% change) linmin: converged after 4 iterations. iteration 808: trace = 2.449292926416139 (1.06516e-07% change) linmin: converged after 15 iterations. iteration 809: trace = 2.449292925160456 (5.12671e-08% change) linmin: converged after 4 iterations. iteration 810: trace = 2.449292923510468 (6.73659e-08% change) linmin: converged after 7 iterations. iteration 811: trace = 2.449292921055966 (1.00213e-07% change) linmin: converged after 4 iterations. iteration 812: trace = 2.44929292054098 (2.10259e-08% change) large trace change predicted (8.54323e-08%) linmin: converged after 12 iterations. iteration 813: trace = 2.449292918448503 (8.54319e-08% change) linmin: converged after 4 iterations. iteration 814: trace = 2.449292916791608 (6.76479e-08% change) linmin: converged after 11 iterations. iteration 815: trace = 2.449292916082057 (2.89696e-08% change) large trace change predicted (1.1322e-07%) linmin: converged after 4 iterations. iteration 816: trace = 2.449292913308978 (1.1322e-07% change) linmin: converged after 7 iterations. iteration 817: trace = 2.449292910912646 (9.78377e-08% change) linmin: converged after 5 iterations. iteration 818: trace = 2.449292910358037 (2.26436e-08% change) linmin: converged after 4 iterations. iteration 819: trace = 2.449292909287076 (4.37253e-08% change) linmin: converged after 7 iterations. iteration 820: trace = 2.449292907754324 (6.25793e-08% change) linmin: converged after 4 iterations. iteration 821: trace = 2.44929290726912 (1.981e-08% change) large trace change predicted (6.32519e-08%) linmin: converged after 24 iterations. iteration 822: trace = 2.449292905719897 (6.32518e-08% change) linmin: converged after 4 iterations. iteration 823: trace = 2.449292904359893 (5.55264e-08% change) linmin: converged after 13 iterations. iteration 824: trace = 2.44929290315872 (4.90416e-08% change) linmin: converged after 4 iterations. iteration 825: trace = 2.449292902439177 (2.93775e-08% change) large trace change predicted (7.29904e-08%) linmin: converged after 4 iterations. iteration 826: trace = 2.449292900651435 (7.29901e-08% change) linmin: converged after 4 iterations. iteration 827: trace = 2.449292899871154 (3.18574e-08% change) large trace change predicted (7.14704e-08%) linmin: converged after 6 iterations. iteration 828: trace = 2.449292898120633 (7.14704e-08% change) linmin: converged after 4 iterations. iteration 829: trace = 2.44929289644922 (6.82407e-08% change) linmin: converged after 17 iterations. iteration 830: trace = 2.449292895568439 (3.59606e-08% change) linmin: converged after 4 iterations. iteration 831: trace = 2.449292894770636 (3.25728e-08% change) large trace change predicted (6.70632e-08%) linmin: converged after 4 iterations. iteration 832: trace = 2.449292893128064 (6.70631e-08% change) linmin: converged after 4 iterations. iteration 833: trace = 2.449292892711513 (1.7007e-08% change) large trace change predicted (4.89608e-08%) linmin: converged after 5 iterations. iteration 834: trace = 2.449292891512315 (4.8961e-08% change) linmin: converged after 12 iterations. iteration 835: trace = 2.449292890071998 (5.88054e-08% change) linmin: converged after 4 iterations. iteration 836: trace = 2.449292888707991 (5.56899e-08% change) linmin: converged after 10 iterations. iteration 837: trace = 2.449292888072222 (2.59572e-08% change) linmin: converged after 3 iterations. iteration 838: trace = 2.449292887317911 (3.07971e-08% change) linmin: converged after 4 iterations. iteration 839: trace = 2.449292886820534 (2.0307e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 840: trace = 2.449292886663034 (6.43042e-09% change) large trace change predicted (1.2912e-08%) linmin: converged after 4 iterations. iteration 841: trace = 2.449292886346788 (1.29117e-08% change) linmin: converged after 21 iterations. iteration 842: trace = 2.449292885792505 (2.26303e-08% change) linmin: converged after 4 iterations. iteration 843: trace = 2.449292885533664 (1.0568e-08% change) large trace change predicted (6.39695e-08%) linmin: converged after 4 iterations. iteration 844: trace = 2.449292883966869 (6.39693e-08% change) linmin: converged after 4 iterations. iteration 845: trace = 2.449292882776127 (4.86158e-08% change) linmin: converged after 4 iterations. iteration 846: trace = 2.44929288219734 (2.36308e-08% change) linmin: converged after 4 iterations. iteration 847: trace = 2.449292881068467 (4.60898e-08% change) linmin: converged after 4 iterations. iteration 848: trace = 2.449292880030361 (4.23839e-08% change) linmin: converged after 4 iterations. iteration 849: trace = 2.449292879581204 (1.83382e-08% change) large trace change predicted (4.97834e-08%) linmin: converged after 4 iterations. iteration 850: trace = 2.449292878361861 (4.97835e-08% change) linmin: converged after 13 iterations. iteration 851: trace = 2.449292877674381 (2.80685e-08% change) linmin: converged after 3 iterations. iteration 852: trace = 2.449292876599154 (4.38995e-08% change) linmin: converged after 12 iterations. iteration 853: trace = 2.449292874813741 (7.2895e-08% change) linmin: converged after 6 iterations. iteration 854: trace = 2.449292873984671 (3.38494e-08% change) linmin: converged after 4 iterations. iteration 855: trace = 2.449292873210549 (3.16059e-08% change) linmin: converged after 22 iterations. iteration 856: trace = 2.449292871961519 (5.09955e-08% change) linmin: converged after 5 iterations. iteration 857: trace = 2.449292870939143 (4.17417e-08% change) linmin: converged after 4 iterations. iteration 858: trace = 2.449292870574498 (1.48878e-08% change) large trace change predicted (4.03523e-08%) linmin: converged after 7 iterations. iteration 859: trace = 2.449292869586152 (4.03523e-08% change) linmin: converged after 14 iterations. iteration 860: trace = 2.449292868747079 (3.42578e-08% change) linmin: converged after 10 iterations. iteration 861: trace = 2.44929286836814 (1.54714e-08% change) linmin: converged after 4 iterations. iteration 862: trace = 2.44929286761192 (3.0875e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.449292866153526 (5.95435e-08% change) linmin: converged after 4 iterations. iteration 864: trace = 2.449292865752945 (1.6355e-08% change) large trace change predicted (8.29358e-08%) linmin: converged after 4 iterations. iteration 865: trace = 2.44929286372159 (8.29364e-08% change) linmin: converged after 4 iterations. iteration 866: trace = 2.449292862322135 (5.71371e-08% change) linmin: converged after 10 iterations. iteration 867: trace = 2.449292861850314 (1.92636e-08% change) linmin: converged after 3 iterations. iteration 868: trace = 2.449292860966873 (3.60693e-08% change) linmin: converged after 4 iterations. iteration 869: trace = 2.449292859552119 (5.77617e-08% change) linmin: converged after 4 iterations. iteration 870: trace = 2.449292859154904 (1.62175e-08% change) large trace change predicted (4.8918e-08%) linmin: converged after 10 iterations. iteration 871: trace = 2.449292857956749 (4.89184e-08% change) linmin: converged after 2 iterations. iteration 872: trace = 2.449292856382815 (6.42607e-08% change) linmin: converged after 9 iterations. iteration 873: trace = 2.449292855380105 (4.09388e-08% change) linmin: converged after 4 iterations. iteration 874: trace = 2.449292854638 (3.02987e-08% change) linmin: converged after 4 iterations. iteration 875: trace = 2.449292853422763 (4.96158e-08% change) linmin: converged after 5 iterations. iteration 876: trace = 2.449292852498708 (3.77274e-08% change) linmin: converged after 14 iterations. iteration 877: trace = 2.44929285225404 (9.98934e-09% change) linmin: converged after 3 iterations. iteration 878: trace = 2.449292851784123 (1.91858e-08% change) linmin: converged after 4 iterations. iteration 879: trace = 2.449292851010172 (3.15989e-08% change) linmin: converged after 4 iterations. iteration 880: trace = 2.449292850751648 (1.05551e-08% change) large trace change predicted (4.84129e-08%) linmin: converged after 8 iterations. iteration 881: trace = 2.449292849565906 (4.84116e-08% change) linmin: converged after 5 iterations. iteration 882: trace = 2.449292848174789 (5.67967e-08% change) linmin: converged after 18 iterations. iteration 883: trace = 2.44929284758822 (2.39485e-08% change) large trace change predicted (5.19972e-08%) linmin: converged after 12 iterations. iteration 884: trace = 2.449292846314686 (5.1996e-08% change) linmin: converged after 5 iterations. iteration 885: trace = 2.449292844211046 (8.58876e-08% change) linmin: converged after 4 iterations. iteration 886: trace = 2.449292843787505 (1.72924e-08% change) large trace change predicted (5.4608e-08%) linmin: converged after 10 iterations. iteration 887: trace = 2.449292842449995 (5.4608e-08% change) linmin: converged after 5 iterations. iteration 888: trace = 2.449292840974808 (6.02291e-08% change) linmin: converged after 6 iterations. iteration 889: trace = 2.449292840239777 (3.00099e-08% change) large trace change predicted (8.99008e-08%) linmin: converged after 7 iterations. iteration 890: trace = 2.449292838037817 (8.99019e-08% change) linmin: converged after 11 iterations. iteration 891: trace = 2.449292836459192 (6.44523e-08% change) linmin: converged after 5 iterations. iteration 892: trace = 2.449292836045462 (1.68918e-08% change) large trace change predicted (5.18763e-08%) linmin: converged after 41 iterations. iteration 893: trace = 2.449292834774843 (5.1877e-08% change) linmin: converged after 12 iterations. iteration 894: trace = 2.449292833546775 (5.01397e-08% change) linmin: converged after 4 iterations. iteration 895: trace = 2.449292833176676 (1.51104e-08% change) large trace change predicted (3.96536e-08%) linmin: converged after 6 iterations. iteration 896: trace = 2.449292832205436 (3.96539e-08% change) linmin: converged after 3 iterations. iteration 897: trace = 2.449292831623656 (2.3753e-08% change) linmin: converged after 3 iterations. iteration 898: trace = 2.449292831317547 (1.24978e-08% change) linmin: converged after 4 iterations. iteration 899: trace = 2.449292830721409 (2.43392e-08% change) linmin: converged after 2 iterations. iteration 900: trace = 2.449292829813082 (3.70853e-08% change) linmin: converged after 7 iterations. iteration 901: trace = 2.449292829246363 (2.31381e-08% change) large trace change predicted (4.93449e-08%) linmin: converged after 4 iterations. iteration 902: trace = 2.449292828037762 (4.93449e-08% change) linmin: converged after 4 iterations. iteration 903: trace = 2.449292826549731 (6.07535e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.449292826112185 (1.78642e-08% change) linmin: converged after 4 iterations. iteration 905: trace = 2.449292825291375 (3.35121e-08% change) large trace change predicted (8.60286e-08%) linmin: converged after 4 iterations. iteration 906: trace = 2.449292823184289 (8.60283e-08% change) linmin: converged after 14 iterations. iteration 907: trace = 2.449292822541658 (2.62374e-08% change) large trace change predicted (1.33293e-07%) linmin: converged after 4 iterations. iteration 908: trace = 2.449292819276921 (1.33293e-07% change) linmin: converged after 16 iterations. iteration 909: trace = 2.449292814908259 (1.78364e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 910: trace = 2.449292812393064 (1.02691e-07% change) linmin: converged after 4 iterations. iteration 911: trace = 2.449292810570963 (7.43929e-08% change) linmin: converged after 4 iterations. iteration 912: trace = 2.449292808084921 (1.015e-07% change) linmin: converged after 3 iterations. iteration 913: trace = 2.449292806858005 (5.00927e-08% change) linmin: converged after 7 iterations. iteration 914: trace = 2.449292806344212 (2.09772e-08% change) linmin: converged after 2 iterations. iteration 915: trace = 2.449292805675946 (2.7284e-08% change) linmin: converged after 8 iterations. iteration 916: trace = 2.449292805068025 (2.48203e-08% change) linmin: converged after 2 iterations. iteration 917: trace = 2.449292804596136 (1.92664e-08% change) large trace change predicted (4.07602e-08%) linmin: converged after 4 iterations. iteration 918: trace = 2.449292803597798 (4.07602e-08% change) linmin: converged after 20 iterations. iteration 919: trace = 2.449292803399901 (8.07975e-09% change) large trace change predicted (1.9408e-08%) linmin: converged after 4 iterations. iteration 920: trace = 2.449292802924537 (1.94082e-08% change) linmin: converged after 4 iterations. iteration 921: trace = 2.449292802465405 (1.87455e-08% change) linmin: converged after 24 iterations. iteration 922: trace = 2.449292802340246 (5.10997e-09% change) large trace change predicted (1.44896e-08%) linmin: converged after 5 iterations. iteration 923: trace = 2.449292801985368 (1.4489e-08% change) linmin: converged after 4 iterations. iteration 924: trace = 2.449292801428902 (2.27195e-08% change) linmin: converged after 4 iterations. iteration 925: trace = 2.449292801204366 (9.16738e-09% change) large trace change predicted (3.11662e-08%) linmin: converged after 5 iterations. iteration 926: trace = 2.449292800441025 (3.11658e-08% change) linmin: converged after 4 iterations. iteration 927: trace = 2.449292799791718 (2.651e-08% change) linmin: converged after 3 iterations. iteration 928: trace = 2.449292799491786 (1.22457e-08% change) large trace change predicted (2.89188e-08%) linmin: converged after 6 iterations. iteration 929: trace = 2.449292798783482 (2.89187e-08% change) linmin: converged after 4 iterations. iteration 930: trace = 2.449292797840208 (3.85121e-08% change) linmin: converged after 9 iterations. iteration 931: trace = 2.449292797400267 (1.7962e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.449292796885245 (2.10273e-08% change) linmin: converged after 4 iterations. iteration 933: trace = 2.449292796132202 (3.07453e-08% change) linmin: converged after 2 iterations. iteration 934: trace = 2.449292795931357 (8.20013e-09% change) large trace change predicted (3.19787e-08%) linmin: converged after 9 iterations. iteration 935: trace = 2.44929279514811 (3.19785e-08% change) linmin: converged after 7 iterations. iteration 936: trace = 2.449292794493852 (2.67121e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.449292794030775 (1.89065e-08% change) linmin: converged after 4 iterations. iteration 938: trace = 2.44929279386145 (6.91324e-09% change) large trace change predicted (2.03651e-08%) linmin: converged after 6 iterations. iteration 939: trace = 2.449292793362641 (2.03654e-08% change) linmin: converged after 2 iterations. iteration 940: trace = 2.449292793128961 (9.5407e-09% change) linmin: converged after 4 iterations. iteration 941: trace = 2.449292792997828 (5.35391e-09% change) linmin: converged after 3 iterations. iteration 942: trace = 2.449292792763263 (9.57684e-09% change) linmin: converged after 4 iterations. iteration 943: trace = 2.44929279237176 (1.59843e-08% change) linmin: converged after 4 iterations. iteration 944: trace = 2.449292792190978 (7.38103e-09% change) large trace change predicted (1.71223e-08%) linmin: converged after 6 iterations. iteration 945: trace = 2.449292791771602 (1.71223e-08% change) linmin: converged after 6 iterations. iteration 946: trace = 2.449292791299036 (1.9294e-08% change) linmin: converged after 4 iterations. iteration 947: trace = 2.449292791119835 (7.31644e-09% change) large trace change predicted (2.17749e-08%) linmin: converged after 3 iterations. iteration 948: trace = 2.449292790586502 (2.1775e-08% change) linmin: converged after 4 iterations. iteration 949: trace = 2.449292790121263 (1.89948e-08% change) linmin: converged after 2 iterations. iteration 950: trace = 2.449292789926099 (7.96815e-09% change) linmin: converged after 8 iterations. iteration 951: trace = 2.449292789538755 (1.58145e-08% change) linmin: converged after 10 iterations. iteration 952: trace = 2.449292789140467 (1.62614e-08% change) linmin: converged after 6 iterations. iteration 953: trace = 2.449292788976283 (6.70331e-09% change) linmin: converged after 22 iterations. iteration 954: trace = 2.449292788681762 (1.20247e-08% change) large trace change predicted (2.62115e-08%) linmin: converged after 4 iterations. iteration 955: trace = 2.449292788039787 (2.62106e-08% change) linmin: converged after 6 iterations. iteration 956: trace = 2.449292787913581 (5.15276e-09% change) large trace change predicted (1.67446e-08%) linmin: converged after 4 iterations. iteration 957: trace = 2.449292787503457 (1.67446e-08% change) linmin: converged after 4 iterations. iteration 958: trace = 2.449292787290118 (8.71022e-09% change) linmin: converged after 4 iterations. iteration 959: trace = 2.449292787196471 (3.82344e-09% change) large trace change predicted (9.18532e-09%) linmin: converged after 5 iterations. iteration 960: trace = 2.449292786971499 (9.18517e-09% change) linmin: converged after 4 iterations. iteration 961: trace = 2.449292786682367 (1.18047e-08% change) linmin: converged after 4 iterations. iteration 962: trace = 2.449292786570358 (4.57312e-09% change) large trace change predicted (1.07073e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.449292786308102 (1.07074e-08% change) linmin: converged after 4 iterations. iteration 964: trace = 2.449292786049144 (1.05728e-08% change) linmin: converged after 4 iterations. iteration 965: trace = 2.449292785911144 (5.63427e-09% change) large trace change predicted (1.4625e-08%) linmin: converged after 17 iterations. iteration 966: trace = 2.449292785552943 (1.46247e-08% change) linmin: converged after 4 iterations. iteration 967: trace = 2.449292785055311 (2.03174e-08% change) linmin: converged after 5 iterations. iteration 968: trace = 2.449292784832112 (9.11282e-09% change) linmin: converged after 4 iterations. iteration 969: trace = 2.44929278463757 (7.94275e-09% change) linmin: converged after 4 iterations. iteration 970: trace = 2.449292784386425 (1.02538e-08% change) linmin: converged after 5 iterations. iteration 971: trace = 2.449292784060509 (1.33066e-08% change) linmin: converged after 6 iterations. iteration 972: trace = 2.449292783980661 (3.26003e-09% change) large trace change predicted (1.10923e-08%) linmin: converged after 18 iterations. iteration 973: trace = 2.449292783708979 (1.10923e-08% change) linmin: converged after 13 iterations. iteration 974: trace = 2.44929278345733 (1.02743e-08% change) linmin: converged after 4 iterations. iteration 975: trace = 2.449292783338016 (4.87138e-09% change) large trace change predicted (1.2259e-08%) linmin: converged after 4 iterations. iteration 976: trace = 2.449292783037754 (1.22591e-08% change) linmin: converged after 20 iterations. iteration 977: trace = 2.449292782924272 (4.63326e-09% change) linmin: converged after 5 iterations. iteration 978: trace = 2.449292782877337 (1.91626e-09% change) linmin: converged after 4 iterations. iteration 979: trace = 2.449292782801074 (3.11367e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.449292782736586 (2.63292e-09% change) linmin: converged after 4 iterations. iteration 981: trace = 2.449292782706129 (1.24352e-09% change) large trace change predicted (4.40222e-09%) linmin: converged after 5 iterations. iteration 982: trace = 2.449292782598297 (4.40258e-09% change) linmin: converged after 15 iterations. iteration 983: trace = 2.449292782386536 (8.64581e-09% change) linmin: converged after 5 iterations. iteration 984: trace = 2.449292782280218 (4.34075e-09% change) large trace change predicted (1.06397e-08%) linmin: converged after 4 iterations. iteration 985: trace = 2.44929278201962 (1.06398e-08% change) linmin: converged after 22 iterations. iteration 986: trace = 2.449292781781561 (9.71948e-09% change) linmin: converged after 17 iterations. iteration 987: trace = 2.44929278169817 (3.40468e-09% change) large trace change predicted (1.20999e-08%) linmin: converged after 4 iterations. iteration 988: trace = 2.449292781401811 (1.20998e-08% change) linmin: converged after 4 iterations. iteration 989: trace = 2.449292781260783 (5.75789e-09% change) linmin: converged after 15 iterations. iteration 990: trace = 2.449292781153036 (4.39911e-09% change) large trace change predicted (1.05717e-08%) linmin: converged after 4 iterations. iteration 991: trace = 2.449292780894103 (1.05718e-08% change) linmin: converged after 4 iterations. iteration 992: trace = 2.449292780607391 (1.17059e-08% change) linmin: converged after 9 iterations. iteration 993: trace = 2.449292780455747 (6.19132e-09% change) linmin: converged after 4 iterations. iteration 994: trace = 2.449292780160332 (1.20613e-08% change) linmin: converged after 4 iterations. iteration 995: trace = 2.449292779996815 (6.67606e-09% change) linmin: converged after 8 iterations. iteration 996: trace = 2.449292779835605 (6.58192e-09% change) linmin: converged after 5 iterations. iteration 997: trace = 2.449292779615555 (8.98423e-09% change) linmin: converged after 4 iterations. iteration 998: trace = 2.449292779407375 (8.49957e-09% change) linmin: converged after 4 iterations. iteration 999: trace = 2.449292779348755 (2.39337e-09% change) large trace change predicted (7.53794e-09%) linmin: converged after 5 iterations. iteration 1000: trace = 2.449292779164133 (7.53775e-09% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.449292779034311 (5.3004e-09% change) linmin: converged after 3 iterations. iteration 1002: trace = 2.449292778951312 (3.38869e-09% change) large trace change predicted (1.29179e-08%) linmin: converged after 9 iterations. iteration 1003: trace = 2.449292778634904 (1.29183e-08% change) linmin: converged after 2 iterations. iteration 1004: trace = 2.449292778249367 (1.57407e-08% change) linmin: converged after 9 iterations. iteration 1005: trace = 2.449292778178586 (2.88988e-09% change) large trace change predicted (9.92933e-09%) linmin: converged after 4 iterations. iteration 1006: trace = 2.449292777935386 (9.92938e-09% change) linmin: converged after 5 iterations. iteration 1007: trace = 2.449292777673786 (1.06807e-08% change) linmin: converged after 3 iterations. iteration 1008: trace = 2.449292777479335 (7.93905e-09% change) linmin: converged after 7 iterations. iteration 1009: trace = 2.449292777311001 (6.87275e-09% change) linmin: converged after 11 iterations. iteration 1010: trace = 2.449292777087547 (9.12321e-09% change) linmin: converged after 7 iterations. iteration 1011: trace = 2.449292776924163 (6.67066e-09% change) linmin: converged after 7 iterations. iteration 1012: trace = 2.449292776731667 (7.85924e-09% change) linmin: converged after 7 iterations. iteration 1013: trace = 2.449292776449633 (1.15149e-08% change) linmin: converged after 5 iterations. iteration 1014: trace = 2.449292776244336 (8.38188e-09% change) linmin: converged after 18 iterations. iteration 1015: trace = 2.449292776098047 (5.97273e-09% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.44929277588989 (8.49862e-09% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.449292775788705 (4.1312e-09% change) linmin: converged after 16 iterations. iteration 1018: trace = 2.449292775740269 (1.97755e-09% change) large trace change predicted (6.09887e-09%) linmin: converged after 4 iterations. iteration 1019: trace = 2.449292775590888 (6.09896e-09% change) linmin: converged after 6 iterations. iteration 1020: trace = 2.449292775459265 (5.37393e-09% change) linmin: converged after 4 iterations. iteration 1021: trace = 2.449292775319269 (5.71575e-09% change) large trace change predicted (1.17394e-08%) linmin: converged after 4 iterations. iteration 1022: trace = 2.449292775031733 (1.17395e-08% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.449292774727794 (1.24093e-08% change) linmin: converged after 3 iterations. iteration 1024: trace = 2.4492927746411 (3.53952e-09% change) large trace change predicted (1.7448e-08%) linmin: converged after 4 iterations. iteration 1025: trace = 2.449292774213753 (1.74478e-08% change) linmin: converged after 18 iterations. iteration 1026: trace = 2.449292773988128 (9.21187e-09% change) linmin: converged after 3 iterations. iteration 1027: trace = 2.449292773860159 (5.2247e-09% change) large trace change predicted (1.10361e-08%) linmin: converged after 5 iterations. iteration 1028: trace = 2.449292773589856 (1.1036e-08% change) linmin: converged after 12 iterations. iteration 1029: trace = 2.449292773127269 (1.88866e-08% change) linmin: converged after 7 iterations. iteration 1030: trace = 2.449292773046314 (3.30523e-09% change) large trace change predicted (1.46883e-08%) linmin: converged after 19 iterations. iteration 1031: trace = 2.449292772686544 (1.46887e-08% change) linmin: converged after 12 iterations. iteration 1032: trace = 2.449292772447815 (9.74686e-09% change) linmin: converged after 4 iterations. iteration 1033: trace = 2.449292772363141 (3.45708e-09% change) large trace change predicted (1.02046e-08%) linmin: converged after 4 iterations. iteration 1034: trace = 2.449292772113195 (1.02048e-08% change) linmin: converged after 4 iterations. iteration 1035: trace = 2.449292771901972 (8.62384e-09% change) linmin: converged after 15 iterations. iteration 1036: trace = 2.449292771859989 (1.71412e-09% change) large trace change predicted (4.99843e-09%) linmin: converged after 4 iterations. iteration 1037: trace = 2.449292771737559 (4.99855e-09% change) linmin: converged after 11 iterations. iteration 1038: trace = 2.449292771574586 (6.65389e-09% change) linmin: converged after 4 iterations. iteration 1039: trace = 2.449292771444928 (5.29371e-09% change) linmin: converged after 17 iterations. iteration 1040: trace = 2.449292771376859 (2.77911e-09% change) large trace change predicted (1.16963e-08%) linmin: converged after 2 iterations. iteration 1041: trace = 2.449292771090374 (1.16967e-08% change) linmin: converged after 17 iterations. iteration 1042: trace = 2.449292770860522 (9.38441e-09% change) linmin: converged after 4 iterations. iteration 1043: trace = 2.449292770740974 (4.8809e-09% change) linmin: converged after 4 iterations. iteration 1044: trace = 2.449292770522123 (8.93528e-09% change) linmin: converged after 3 iterations. iteration 1045: trace = 2.449292770200719 (1.31223e-08% change) linmin: converged after 3 iterations. iteration 1046: trace = 2.44929277003367 (6.8203e-09% change) large trace change predicted (2.04497e-08%) linmin: converged after 6 iterations. iteration 1047: trace = 2.449292769532792 (2.04499e-08% change) linmin: converged after 5 iterations. iteration 1048: trace = 2.449292769219966 (1.27721e-08% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.44929276879008 (1.75514e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1050: trace = 2.449292768390965 (1.62951e-08% change) linmin: converged after 6 iterations. iteration 1051: trace = 2.449292768128785 (1.07043e-08% change) linmin: converged after 12 iterations. iteration 1052: trace = 2.449292767724566 (1.65035e-08% change) linmin: converged after 9 iterations. iteration 1053: trace = 2.449292767603756 (4.93243e-09% change) large trace change predicted (1.02129e-08%) linmin: converged after 10 iterations. iteration 1054: trace = 2.449292767353613 (1.02129e-08% change) linmin: converged after 4 iterations. iteration 1055: trace = 2.449292767190382 (6.6644e-09% change) linmin: converged after 27 iterations. iteration 1056: trace = 2.449292767108253 (3.35317e-09% change) linmin: converged after 4 iterations. iteration 1057: trace = 2.449292766948267 (6.53192e-09% change) linmin: converged after 3 iterations. iteration 1058: trace = 2.44929276676254 (7.5829e-09% change) linmin: converged after 4 iterations. iteration 1059: trace = 2.449292766721548 (1.67361e-09% change) large trace change predicted (3.82108e-09%) linmin: converged after 3 iterations. iteration 1060: trace = 2.44929276662795 (3.82145e-09% change) linmin: converged after 3 iterations. iteration 1061: trace = 2.449292766522554 (4.30313e-09% change) linmin: converged after 6 iterations. iteration 1062: trace = 2.449292766486206 (1.48401e-09% change) large trace change predicted (3.15479e-09%) linmin: converged after 5 iterations. iteration 1063: trace = 2.449292766408937 (3.15472e-09% change) linmin: converged after 5 iterations. iteration 1064: trace = 2.449292766281056 (5.22115e-09% change) linmin: converged after 18 iterations. iteration 1065: trace = 2.449292766234763 (1.89005e-09% change) large trace change predicted (6.12863e-09%) linmin: converged after 4 iterations. iteration 1066: trace = 2.449292766084668 (6.12813e-09% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.449292765939092 (5.94356e-09% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.449292765766888 (7.03078e-09% change) linmin: converged after 5 iterations. iteration 1069: trace = 2.449292765695915 (2.89769e-09% change) large trace change predicted (8.797e-09%) linmin: converged after 4 iterations. iteration 1070: trace = 2.449292765480459 (8.79665e-09% change) linmin: converged after 15 iterations. iteration 1071: trace = 2.449292765362018 (4.83571e-09% change) linmin: converged after 8 iterations. iteration 1072: trace = 2.449292765301362 (2.4765e-09% change) large trace change predicted (5.04e-09%) linmin: converged after 24 iterations. iteration 1073: trace = 2.449292765177919 (5.03993e-09% change) linmin: converged after 13 iterations. iteration 1074: trace = 2.44929276508768 (3.6843e-09% change) linmin: converged after 4 iterations. iteration 1075: trace = 2.449292764952729 (5.5098e-09% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.449292764804856 (6.03735e-09% change) linmin: converged after 10 iterations. iteration 1077: trace = 2.449292764759179 (1.86492e-09% change) linmin: converged after 4 iterations. iteration 1078: trace = 2.449292764670067 (3.63829e-09% change) linmin: converged after 5 iterations. iteration 1079: trace = 2.449292764576132 (3.83516e-09% change) linmin: converged after 20 iterations. iteration 1080: trace = 2.449292764508781 (2.74985e-09% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.44929276448999 (7.67173e-10% change) large trace change predicted (2.00185e-09%) linmin: converged after 4 iterations. iteration 1082: trace = 2.449292764440962 (2.00172e-09% change) linmin: converged after 3 iterations. iteration 1083: trace = 2.449292764352703 (3.60347e-09% change) linmin: converged after 6 iterations. iteration 1084: trace = 2.449292764319538 (1.35407e-09% change) large trace change predicted (4.4461e-09%) linmin: converged after 2 iterations. iteration 1085: trace = 2.449292764210626 (4.44665e-09% change) linmin: converged after 8 iterations. iteration 1086: trace = 2.449292764104184 (4.34582e-09% change) linmin: converged after 6 iterations. iteration 1087: trace = 2.449292764040278 (2.60915e-09% change) linmin: converged after 6 iterations. iteration 1088: trace = 2.449292763952479 (3.58469e-09% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.449292763865729 (3.54185e-09% change) linmin: converged after 20 iterations. iteration 1090: trace = 2.449292763825361 (1.64816e-09% change) large trace change predicted (3.82418e-09%) linmin: converged after 10 iterations. iteration 1091: trace = 2.449292763731694 (3.82424e-09% change) linmin: converged after 5 iterations. iteration 1092: trace = 2.449292763656467 (3.07137e-09% change) linmin: converged after 18 iterations. iteration 1093: trace = 2.449292763623592 (1.34223e-09% change) large trace change predicted (2.95482e-09%) linmin: converged after 9 iterations. iteration 1094: trace = 2.449292763551219 (2.95484e-09% change) linmin: converged after 14 iterations. iteration 1095: trace = 2.44929276342259 (5.25168e-09% change) linmin: converged after 3 iterations. iteration 1096: trace = 2.449292763402339 (8.26788e-10% change) large trace change predicted (3.71481e-09%) linmin: converged after 3 iterations. iteration 1097: trace = 2.449292763311348 (3.715e-09% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.449292763266317 (1.83855e-09% change) linmin: converged after 13 iterations. iteration 1099: trace = 2.44929276323546 (1.25984e-09% change) linmin: converged after 9 iterations. iteration 1100: trace = 2.449292763202825 (1.33242e-09% change) large trace change predicted (2.87019e-09%) linmin: converged after 12 iterations. iteration 1101: trace = 2.449292763132513 (2.87071e-09% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.449292763104338 (1.15031e-09% change) linmin: converged after 4 iterations. iteration 1103: trace = 2.449292763058433 (1.87423e-09% change) linmin: converged after 2 iterations. iteration 1104: trace = 2.449292762984287 (3.02724e-09% change) linmin: converged after 3 iterations. iteration 1105: trace = 2.449292762938214 (1.88107e-09% change) linmin: converged after 5 iterations. iteration 1106: trace = 2.449292762890886 (1.93229e-09% change) large trace change predicted (4.35628e-09%) linmin: converged after 5 iterations. iteration 1107: trace = 2.449292762784181 (4.35659e-09% change) linmin: converged after 6 iterations. iteration 1108: trace = 2.449292762726238 (2.36568e-09% change) linmin: converged after 13 iterations. iteration 1109: trace = 2.449292762693443 (1.33894e-09% change) linmin: converged after 14 iterations. iteration 1110: trace = 2.449292762642759 (2.06933e-09% change) linmin: converged after 3 iterations. iteration 1111: trace = 2.449292762605331 (1.52813e-09% change) linmin: converged after 20 iterations. iteration 1112: trace = 2.449292762561192 (1.80213e-09% change) linmin: converged after 5 iterations. iteration 1113: trace = 2.449292762488975 (2.94846e-09% change) linmin: converged after 4 iterations. iteration 1114: trace = 2.449292762463506 (1.03987e-09% change) large trace change predicted (2.25058e-09%) linmin: converged after 4 iterations. iteration 1115: trace = 2.449292762408382 (2.25061e-09% change) linmin: converged after 4 iterations. iteration 1116: trace = 2.449292762349442 (2.40641e-09% change) linmin: converged after 6 iterations. iteration 1117: trace = 2.449292762320745 (1.17163e-09% change) linmin: converged after 4 iterations. iteration 1118: trace = 2.449292762312784 (3.25058e-10% change) linmin: converged after 6 iterations. iteration 1119: trace = 2.449292762302037 (4.3876e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1120: trace = 2.449292762291865 (4.15316e-10% change) linmin: converged after 7 iterations. iteration 1121: trace = 2.449292762284672 (2.93691e-10% change) large trace change predicted (1.05281e-09%) linmin: converged after 5 iterations. iteration 1122: trace = 2.449292762258884 (1.05285e-09% change) linmin: converged after 5 iterations. iteration 1123: trace = 2.449292762239086 (8.08331e-10% change) large trace change predicted (1.78475e-09%) linmin: converged after 4 iterations. iteration 1124: trace = 2.449292762195369 (1.78488e-09% change) linmin: converged after 6 iterations. iteration 1125: trace = 2.449292762138346 (2.32815e-09% change) linmin: converged after 15 iterations. iteration 1126: trace = 2.449292762099618 (1.58116e-09% change) linmin: converged after 7 iterations. iteration 1127: trace = 2.4492927620664 (1.35622e-09% change) linmin: converged after 4 iterations. iteration 1128: trace = 2.449292762003416 (2.57155e-09% change) linmin: converged after 12 iterations. iteration 1129: trace = 2.449292761979819 (9.63408e-10% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.44929276195271 (1.10683e-09% change) large trace change predicted (2.50833e-09%) linmin: converged after 16 iterations. iteration 1131: trace = 2.449292761891278 (2.50812e-09% change) linmin: converged after 15 iterations. iteration 1132: trace = 2.449292761857699 (1.37098e-09% change) linmin: converged after 24 iterations. iteration 1133: trace = 2.449292761796992 (2.47857e-09% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.449292761732873 (2.61785e-09% change) linmin: converged after 9 iterations. iteration 1135: trace = 2.449292761700014 (1.34155e-09% change) linmin: converged after 13 iterations. iteration 1136: trace = 2.449292761662959 (1.51288e-09% change) linmin: converged after 16 iterations. iteration 1137: trace = 2.449292761615074 (1.95506e-09% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.449292761584487 (1.24879e-09% change) linmin: converged after 9 iterations. iteration 1139: trace = 2.449292761555222 (1.19485e-09% change) linmin: converged after 17 iterations. iteration 1140: trace = 2.449292761518958 (1.48059e-09% change) linmin: converged after 15 iterations. iteration 1141: trace = 2.449292761490439 (1.16436e-09% change) linmin: converged after 6 iterations. iteration 1142: trace = 2.44929276147636 (5.74817e-10% change) large trace change predicted (2.78319e-09%) linmin: converged after 18 iterations. iteration 1143: trace = 2.44929276140819 (2.78327e-09% change) linmin: converged after 16 iterations. iteration 1144: trace = 2.449292761345009 (2.57956e-09% change) linmin: converged after 4 iterations. iteration 1145: trace = 2.44929276131443 (1.2485e-09% change) linmin: converged after 4 iterations. iteration 1146: trace = 2.449292761266779 (1.94549e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.449292761203063 (2.60139e-09% change) linmin: converged after 10 iterations. iteration 1148: trace = 2.449292761177097 (1.06014e-09% change) linmin: converged after 11 iterations. iteration 1149: trace = 2.449292761128534 (1.98275e-09% change) linmin: converged after 3 iterations. iteration 1150: trace = 2.449292761081884 (1.90462e-09% change) linmin: converged after 8 iterations. iteration 1151: trace = 2.449292761013441 (2.7944e-09% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.449292760995565 (7.2984e-10% change) large trace change predicted (2.3726e-09%) linmin: converged after 4 iterations. iteration 1153: trace = 2.449292760937457 (2.37245e-09% change) linmin: converged after 7 iterations. iteration 1154: trace = 2.449292760879771 (2.35519e-09% change) linmin: converged after 6 iterations. iteration 1155: trace = 2.449292760859085 (8.44575e-10% change) large trace change predicted (1.70114e-09%) linmin: converged after 3 iterations. iteration 1156: trace = 2.449292760817419 (1.70117e-09% change) linmin: converged after 3 iterations. iteration 1157: trace = 2.449292760786551 (1.26027e-09% change) linmin: converged after 7 iterations. iteration 1158: trace = 2.449292760777601 (3.65419e-10% change) large trace change predicted (1.36693e-09%) linmin: converged after 20 iterations. iteration 1159: trace = 2.449292760744122 (1.36688e-09% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.449292760698735 (1.85304e-09% change) linmin: converged after 18 iterations. iteration 1161: trace = 2.449292760682941 (6.44841e-10% change) large trace change predicted (2.22976e-09%) linmin: converged after 14 iterations. iteration 1162: trace = 2.449292760628325 (2.22986e-09% change) linmin: converged after 6 iterations. iteration 1163: trace = 2.449292760553186 (3.0678e-09% change) linmin: converged after 15 iterations. iteration 1164: trace = 2.449292760530432 (9.29013e-10% change) large trace change predicted (3.35936e-09%) linmin: converged after 4 iterations. iteration 1165: trace = 2.449292760448156 (3.35917e-09% change) linmin: converged after 12 iterations. iteration 1166: trace = 2.449292760405035 (1.76053e-09% change) linmin: converged after 3 iterations. iteration 1167: trace = 2.44929276038233 (9.27018e-10% change) large trace change predicted (2.74379e-09%) linmin: converged after 2 iterations. iteration 1168: trace = 2.449292760315133 (2.74351e-09% change) linmin: converged after 5 iterations. iteration 1169: trace = 2.449292760232028 (3.39302e-09% change) linmin: converged after 13 iterations. iteration 1170: trace = 2.449292760210748 (8.68835e-10% change) large trace change predicted (3.21979e-09%) linmin: converged after 4 iterations. iteration 1171: trace = 2.449292760131882 (3.21994e-09% change) linmin: converged after 7 iterations. iteration 1172: trace = 2.44929276007937 (2.14397e-09% change) linmin: converged after 4 iterations. iteration 1173: trace = 2.449292760040843 (1.57298e-09% change) linmin: converged after 21 iterations. iteration 1174: trace = 2.449292760008499 (1.32054e-09% change) linmin: converged after 5 iterations. iteration 1175: trace = 2.449292759963597 (1.83328e-09% change) linmin: converged after 7 iterations. iteration 1176: trace = 2.449292759941327 (9.09232e-10% change) linmin: converged after 4 iterations. iteration 1177: trace = 2.449292759930403 (4.45994e-10% change) large trace change predicted (1.26368e-09%) linmin: converged after 4 iterations. iteration 1178: trace = 2.449292759899457 (1.26346e-09% change) linmin: converged after 3 iterations. iteration 1179: trace = 2.449292759856346 (1.76015e-09% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.449292759834289 (9.00547e-10% change) large trace change predicted (1.90927e-09%) linmin: converged after 15 iterations. iteration 1181: trace = 2.44929275978753 (1.90907e-09% change) linmin: converged after 5 iterations. iteration 1182: trace = 2.449292759740735 (1.91055e-09% change) linmin: converged after 13 iterations. iteration 1183: trace = 2.449292759716291 (9.98021e-10% change) large trace change predicted (2.04248e-09%) linmin: converged after 13 iterations. iteration 1184: trace = 2.449292759666267 (2.0424e-09% change) linmin: converged after 5 iterations. iteration 1185: trace = 2.449292759589927 (3.11681e-09% change) linmin: converged after 13 iterations. iteration 1186: trace = 2.449292759560856 (1.18689e-09% change) large trace change predicted (4.22091e-09%) linmin: converged after 21 iterations. iteration 1187: trace = 2.449292759457477 (4.22079e-09% change) linmin: converged after 9 iterations. iteration 1188: trace = 2.449292759355255 (4.17352e-09% change) linmin: converged after 2 iterations. iteration 1189: trace = 2.449292759285013 (2.86783e-09% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1190: trace = 2.449292759218539 (2.71404e-09% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.449292759131809 (3.54101e-09% change) linmin: converged after 9 iterations. iteration 1192: trace = 2.449292759050741 (3.30986e-09% change) linmin: converged after 16 iterations. iteration 1193: trace = 2.449292759029729 (8.57884e-10% change) large trace change predicted (2.32367e-09%) linmin: converged after 22 iterations. iteration 1194: trace = 2.449292758972808 (2.32396e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.449292758938468 (1.40204e-09% change) linmin: converged after 4 iterations. iteration 1196: trace = 2.449292758921942 (6.74739e-10% change) large trace change predicted (1.40069e-09%) linmin: converged after 14 iterations. iteration 1197: trace = 2.449292758887621 (1.40124e-09% change) linmin: converged after 7 iterations. iteration 1198: trace = 2.449292758857818 (1.21681e-09% change) linmin: converged after 12 iterations. iteration 1199: trace = 2.449292758842747 (6.15305e-10% change) linmin: converged after 6 iterations. iteration 1200: trace = 2.44929275881523 (1.12349e-09% change) linmin: converged after 13 iterations. iteration 1201: trace = 2.449292758799249 (6.52438e-10% change) linmin: converged after 3 iterations. iteration 1202: trace = 2.449292758789549 (3.96043e-10% change) large trace change predicted (7.98141e-10%) linmin: converged after 6 iterations. iteration 1203: trace = 2.449292758770009 (7.97796e-10% change) linmin: converged after 8 iterations. iteration 1204: trace = 2.449292758745472 (1.00177e-09% change) linmin: converged after 4 iterations. iteration 1205: trace = 2.449292758734434 (4.50672e-10% change) large trace change predicted (1.46401e-09%) linmin: converged after 3 iterations. iteration 1206: trace = 2.449292758698573 (1.46414e-09% change) linmin: converged after 20 iterations. iteration 1207: trace = 2.449292758672931 (1.0469e-09% change) linmin: converged after 5 iterations. iteration 1208: trace = 2.449292758659811 (5.35672e-10% change) large trace change predicted (1.8051e-09%) linmin: converged after 4 iterations. iteration 1209: trace = 2.449292758615584 (1.80572e-09% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.449292758578577 (1.51092e-09% change) linmin: converged after 3 iterations. iteration 1211: trace = 2.449292758562544 (6.54613e-10% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.449292758539975 (9.21434e-10% change) linmin: converged after 9 iterations. iteration 1213: trace = 2.449292758509836 (1.23052e-09% change) linmin: converged after 4 iterations. iteration 1214: trace = 2.449292758496518 (5.43758e-10% change) large trace change predicted (1.43e-09%) linmin: converged after 19 iterations. iteration 1215: trace = 2.449292758461497 (1.42985e-09% change) linmin: converged after 2 iterations. iteration 1216: trace = 2.449292758430115 (1.28123e-09% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.449292758407654 (9.17064e-10% change) linmin: converged after 12 iterations. iteration 1218: trace = 2.449292758400862 (2.773e-10% change) large trace change predicted (7.07646e-10%) linmin: converged after 14 iterations. iteration 1219: trace = 2.449292758383526 (7.07811e-10% change) linmin: converged after 7 iterations. iteration 1220: trace = 2.449292758371622 (4.85992e-10% change) linmin: converged after 15 iterations. iteration 1221: trace = 2.449292758365863 (2.35127e-10% change) linmin: converged after 7 iterations. iteration 1222: trace = 2.449292758355705 (4.14736e-10% change) large trace change predicted (8.94645e-10%) linmin: converged after 7 iterations. iteration 1223: trace = 2.449292758333799 (8.944e-10% change) linmin: converged after 4 iterations. iteration 1224: trace = 2.449292758328047 (2.34819e-10% change) large trace change predicted (1.15853e-09%) linmin: converged after 4 iterations. iteration 1225: trace = 2.449292758299672 (1.1585e-09% change) linmin: converged after 6 iterations. iteration 1226: trace = 2.449292758276 (9.6649e-10% change) linmin: converged after 3 iterations. iteration 1227: trace = 2.449292758261559 (5.89613e-10% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.449292758244133 (7.11473e-10% change) linmin: converged after 9 iterations. iteration 1229: trace = 2.44929275822446 (8.032e-10% change) linmin: converged after 6 iterations. iteration 1230: trace = 2.449292758203113 (8.71536e-10% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.449292758196083 (2.87019e-10% change) large trace change predicted (7.16027e-10%) linmin: converged after 2 iterations. iteration 1232: trace = 2.449292758178548 (7.15952e-10% change) linmin: converged after 4 iterations. iteration 1233: trace = 2.449292758161216 (7.07611e-10% change) linmin: converged after 12 iterations. iteration 1234: trace = 2.449292758156217 (2.04122e-10% change) large trace change predicted (1.09127e-09%) linmin: converged after 4 iterations. iteration 1235: trace = 2.4492927581295 (1.0908e-09% change) linmin: converged after 15 iterations. iteration 1236: trace = 2.449292758121641 (3.20852e-10% change) linmin: converged after 8 iterations. iteration 1237: trace = 2.44929275811068 (4.47535e-10% change) linmin: converged after 4 iterations. iteration 1238: trace = 2.449292758099539 (4.54861e-10% change) linmin: converged after 4 iterations. iteration 1239: trace = 2.449292758090224 (3.80323e-10% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.449292758085973 (1.73535e-10% change) large trace change predicted (6.28043e-10%) linmin: converged after 3 iterations. iteration 1241: trace = 2.449292758070583 (6.28377e-10% change) linmin: converged after 3 iterations. iteration 1242: trace = 2.449292758061384 (3.75572e-10% change) linmin: converged after 4 iterations. iteration 1243: trace = 2.449292758053819 (3.08867e-10% change) large trace change predicted (6.64039e-10%) linmin: converged after 13 iterations. iteration 1244: trace = 2.449292758037557 (6.63915e-10% change) linmin: converged after 3 iterations. iteration 1245: trace = 2.449292758021907 (6.38984e-10% change) linmin: converged after 9 iterations. iteration 1246: trace = 2.449292758016809 (2.08148e-10% change) large trace change predicted (8.29566e-10%) linmin: converged after 20 iterations. iteration 1247: trace = 2.449292757996488 (8.29635e-10% change) linmin: converged after 6 iterations. iteration 1248: trace = 2.449292757980615 (6.48068e-10% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.449292757975114 (2.24593e-10% change) large trace change predicted (4.63414e-10%) linmin: converged after 3 iterations. iteration 1250: trace = 2.449292757963765 (4.63382e-10% change) linmin: converged after 3 iterations. iteration 1251: trace = 2.449292757946643 (6.99071e-10% change) linmin: converged after 9 iterations. iteration 1252: trace = 2.449292757938912 (3.15612e-10% change) linmin: converged after 6 iterations. iteration 1253: trace = 2.449292757929192 (3.96858e-10% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.449292757915849 (5.44756e-10% change) linmin: converged after 3 iterations. iteration 1255: trace = 2.44929275790202 (5.64646e-10% change) linmin: converged after 14 iterations. iteration 1256: trace = 2.449292757899889 (8.6976e-11% change) Finished solving for bands 1 to 10 after 1256 iterations. tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689 elapsed time for k point: 16.750084400177002 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.515861282295907 (3.43116% change) linmin: converged after 4 iterations. iteration 2: trace = 2.507854158557765 (0.318773% change) linmin: converged after 4 iterations. iteration 3: trace = 2.499310810787176 (0.341245% change) linmin: converged after 4 iterations. iteration 4: trace = 2.498172896819808 (0.0455395% change) large trace change predicted (0.100542%) linmin: converged after 4 iterations. iteration 5: trace = 2.495678808586637 (0.0998864% change) linmin: converged after 4 iterations. iteration 6: trace = 2.495170541910658 (0.0203679% change) linmin: converged after 4 iterations. iteration 7: trace = 2.494660849825565 (0.0204292% change) linmin: converged after 4 iterations. iteration 8: trace = 2.494389989065191 (0.0108582% change) linmin: converged after 3 iterations. iteration 9: trace = 2.49424031789044 (0.00600049% change) linmin: converged after 4 iterations. iteration 10: trace = 2.494053119375062 (0.00750551% change) linmin: converged after 4 iterations. iteration 11: trace = 2.494006769338019 (0.00185844% change) large trace change predicted (0.00615564%) linmin: converged after 4 iterations. iteration 12: trace = 2.493853877784837 (0.00613055% change) linmin: converged after 3 iterations. iteration 13: trace = 2.493809312194493 (0.00178703% change) large trace change predicted (0.00364815%) linmin: converged after 4 iterations. iteration 14: trace = 2.493718771889427 (0.00363067% change) linmin: converged after 4 iterations. iteration 15: trace = 2.493653536138433 (0.00261604% change) linmin: converged after 4 iterations. iteration 16: trace = 2.493597422138092 (0.0022503% change) large trace change predicted (0.00494512%) linmin: converged after 4 iterations. iteration 17: trace = 2.493474326430524 (0.00493659% change) linmin: converged after 4 iterations. iteration 18: trace = 2.493424155675116 (0.0020121% change) large trace change predicted (0.00492516%) linmin: converged after 4 iterations. iteration 19: trace = 2.493301749789208 (0.00490927% change) linmin: converged after 4 iterations. iteration 20: trace = 2.4932438532079 (0.00232211% change) large trace change predicted (0.00472088%) linmin: converged after 4 iterations. iteration 21: trace = 2.493126516272597 (0.00470631% change) linmin: converged after 4 iterations. iteration 22: trace = 2.493032139438212 (0.00378555% change) linmin: converged after 4 iterations. iteration 23: trace = 2.492931229724737 (0.00404775% change) linmin: converged after 4 iterations. iteration 24: trace = 2.49278518304044 (0.0058586% change) linmin: converged after 4 iterations. iteration 25: trace = 2.492694559740675 (0.00363549% change) linmin: converged after 17 iterations. iteration 26: trace = 2.492556551715377 (0.00553665% change) linmin: converged after 4 iterations. iteration 27: trace = 2.492504492963388 (0.00208859% change) large trace change predicted (0.00584593%) linmin: converged after 6 iterations. iteration 28: trace = 2.492359048235266 (0.00583545% change) linmin: converged after 4 iterations. iteration 29: trace = 2.492292310143891 (0.00267774% change) linmin: converged after 3 iterations. iteration 30: trace = 2.49220423763659 (0.00353386% change) linmin: converged after 4 iterations. iteration 31: trace = 2.492122038808602 (0.00329829% change) linmin: converged after 3 iterations. iteration 32: trace = 2.492088459826676 (0.00134741% change) large trace change predicted (0.00374958%) linmin: converged after 9 iterations. iteration 33: trace = 2.491995115671979 (0.00374569% change) linmin: converged after 3 iterations. iteration 34: trace = 2.49197302696545 (0.00088639% change) large trace change predicted (0.00384146%) linmin: converged after 6 iterations. iteration 35: trace = 2.491877397292373 (0.00383758% change) linmin: converged after 7 iterations. iteration 36: trace = 2.491799684776144 (0.00311868% change) linmin: converged after 4 iterations. iteration 37: trace = 2.491716618910476 (0.00333362% change) large trace change predicted (0.00753755%) linmin: converged after 6 iterations. iteration 38: trace = 2.491529123150958 (0.00752505% change) linmin: converged after 3 iterations. iteration 39: trace = 2.491464407954583 (0.00259744% change) large trace change predicted (0.00785134%) linmin: converged after 4 iterations. iteration 40: trace = 2.491269210816609 (0.00783494% change) linmin: converged after 3 iterations. iteration 41: trace = 2.491195483039992 (0.00295949% change) linmin: converged after 4 iterations. iteration 42: trace = 2.491085228402836 (0.00442587% change) linmin: converged after 3 iterations. iteration 43: trace = 2.491014733898304 (0.00282991% change) linmin: converged after 4 iterations. iteration 44: trace = 2.49096938109741 (0.00182067% change) large trace change predicted (0.00538733%) linmin: converged after 3 iterations. iteration 45: trace = 2.49083487831414 (0.00539976% change) linmin: converged after 11 iterations. iteration 46: trace = 2.490789473031338 (0.00182291% change) large trace change predicted (0.0100848%) linmin: converged after 3 iterations. iteration 47: trace = 2.490536447013226 (0.010159% change) linmin: converged after 4 iterations. iteration 48: trace = 2.490423729185779 (0.00452595% change) linmin: converged after 3 iterations. iteration 49: trace = 2.490250059019444 (0.00697376% change) linmin: converged after 3 iterations. iteration 50: trace = 2.490020787971507 (0.00920717% change) linmin: converged after 3 iterations. iteration 51: trace = 2.48994903099957 (0.00288182% change) large trace change predicted (0.00946139%) linmin: converged after 3 iterations. iteration 52: trace = 2.489711162739711 (0.00955359% change) linmin: converged after 3 iterations. iteration 53: trace = 2.489658473681335 (0.00211629% change) large trace change predicted (0.00434367%) linmin: converged after 3 iterations. iteration 54: trace = 2.489549877108953 (0.004362% change) linmin: converged after 4 iterations. iteration 55: trace = 2.489470614706369 (0.00318386% change) linmin: converged after 3 iterations. iteration 56: trace = 2.489407058967494 (0.00255301% change) linmin: converged after 3 iterations. iteration 57: trace = 2.48931509135577 (0.00369443% change) linmin: converged after 3 iterations. iteration 58: trace = 2.489272593598083 (0.00170722% change) large trace change predicted (0.0035832%) linmin: converged after 3 iterations. iteration 59: trace = 2.489183254006914 (0.00358905% change) linmin: converged after 3 iterations. iteration 60: trace = 2.489147377124525 (0.00144132% change) large trace change predicted (0.00337204%) linmin: converged after 4 iterations. iteration 61: trace = 2.489063365947722 (0.00337516% change) linmin: converged after 5 iterations. iteration 62: trace = 2.489014190975116 (0.00197566% change) linmin: converged after 4 iterations. iteration 63: trace = 2.488950715482929 (0.00255026% change) linmin: converged after 4 iterations. iteration 64: trace = 2.488865294803781 (0.00343205% change) linmin: converged after 5 iterations. iteration 65: trace = 2.488828943610771 (0.00146056% change) linmin: converged after 3 iterations. iteration 66: trace = 2.488763904884916 (0.00261326% change) linmin: converged after 3 iterations. iteration 67: trace = 2.488735810526342 (0.00112885% change) large trace change predicted (0.00312848%) linmin: converged after 6 iterations. iteration 68: trace = 2.48865800111508 (0.00312651% change) linmin: converged after 3 iterations. iteration 69: trace = 2.488603317682105 (0.00219733% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 2.488574474557392 (0.00115902% change) large trace change predicted (0.00249024%) linmin: converged after 3 iterations. iteration 71: trace = 2.488512534589992 (0.002489% change) linmin: converged after 7 iterations. iteration 72: trace = 2.488484799851445 (0.00111452% change) linmin: converged after 3 iterations. iteration 73: trace = 2.488451506537923 (0.0013379% change) large trace change predicted (0.0031914%) linmin: converged after 5 iterations. iteration 74: trace = 2.488372321747332 (0.00318214% change) linmin: converged after 3 iterations. iteration 75: trace = 2.488356731049004 (0.000626544% change) large trace change predicted (0.00189925%) linmin: converged after 5 iterations. iteration 76: trace = 2.488309524135499 (0.00189713% change) linmin: converged after 4 iterations. iteration 77: trace = 2.488271458079891 (0.00152981% change) linmin: converged after 4 iterations. iteration 78: trace = 2.488258000294219 (0.00054085% change) large trace change predicted (0.00171372%) linmin: converged after 4 iterations. iteration 79: trace = 2.48821544026547 (0.00171045% change) linmin: converged after 4 iterations. iteration 80: trace = 2.488166258686811 (0.0019766% change) linmin: converged after 12 iterations. iteration 81: trace = 2.488145059919184 (0.000851987% change) linmin: converged after 15 iterations. iteration 82: trace = 2.488106089528181 (0.00156625% change) linmin: converged after 4 iterations. iteration 83: trace = 2.488066336337749 (0.00159774% change) linmin: converged after 5 iterations. iteration 84: trace = 2.488048633590177 (0.000711509% change) large trace change predicted (0.00194513%) linmin: converged after 4 iterations. iteration 85: trace = 2.488000386622425 (0.00193917% change) linmin: converged after 5 iterations. iteration 86: trace = 2.487937929549748 (0.00251036% change) linmin: converged after 5 iterations. iteration 87: trace = 2.487919640950813 (0.000735093% change) large trace change predicted (0.00295702%) linmin: converged after 3 iterations. iteration 88: trace = 2.487846115004988 (0.00295536% change) linmin: converged after 4 iterations. iteration 89: trace = 2.487797886704479 (0.00193858% change) linmin: converged after 3 iterations. iteration 90: trace = 2.487776306549805 (0.000867444% change) large trace change predicted (0.00214995%) linmin: converged after 3 iterations. iteration 91: trace = 2.487722836395236 (0.00214934% change) linmin: converged after 3 iterations. iteration 92: trace = 2.487710813896149 (0.000483274% change) large trace change predicted (0.00124375%) linmin: converged after 5 iterations. iteration 93: trace = 2.487679883120304 (0.00124335% change) linmin: converged after 3 iterations. iteration 94: trace = 2.487653043297854 (0.00107892% change) linmin: converged after 3 iterations. iteration 95: trace = 2.487630501282141 (0.00090616% change) linmin: converged after 4 iterations. iteration 96: trace = 2.487599175459664 (0.00125927% change) linmin: converged after 3 iterations. iteration 97: trace = 2.487540228048141 (0.00236968% change) linmin: converged after 12 iterations. iteration 98: trace = 2.487521640120572 (0.000747244% change) linmin: converged after 4 iterations. iteration 99: trace = 2.487493683707828 (0.00112387% change) linmin: converged after 5 iterations. iteration 100: trace = 2.487462269535424 (0.00126289% change) linmin: converged after 3 iterations. iteration 101: trace = 2.48745536423858 (0.000277604% change) large trace change predicted (0.000931403%) linmin: converged after 5 iterations. iteration 102: trace = 2.487432233641114 (0.000929894% change) linmin: converged after 3 iterations. iteration 103: trace = 2.487405032651327 (0.00109354% change) linmin: converged after 3 iterations. iteration 104: trace = 2.487396818139055 (0.000330245% change) large trace change predicted (0.00148261%) linmin: converged after 3 iterations. iteration 105: trace = 2.487359848334163 (0.0014863% change) linmin: converged after 3 iterations. iteration 106: trace = 2.487331078568984 (0.00115665% change) linmin: converged after 5 iterations. iteration 107: trace = 2.487319494981296 (0.000465705% change) large trace change predicted (0.00232136%) linmin: converged after 6 iterations. iteration 108: trace = 2.48726164881472 (0.00232567% change) linmin: converged after 3 iterations. iteration 109: trace = 2.487237092826722 (0.000987275% change) linmin: converged after 3 iterations. iteration 110: trace = 2.487206680585687 (0.00122274% change) linmin: converged after 4 iterations. iteration 111: trace = 2.487173038603066 (0.00135261% change) linmin: converged after 3 iterations. iteration 112: trace = 2.487160558799443 (0.000501768% change) linmin: converged after 3 iterations. iteration 113: trace = 2.487141960392464 (0.000747779% change) linmin: converged after 5 iterations. iteration 114: trace = 2.487111565453936 (0.00122209% change) linmin: converged after 6 iterations. iteration 115: trace = 2.487101729536141 (0.000395476% change) large trace change predicted (0.000795578%) linmin: converged after 3 iterations. iteration 116: trace = 2.487081948065852 (0.000795365% change) linmin: converged after 3 iterations. iteration 117: trace = 2.4870636905194 (0.000734098% change) linmin: converged after 3 iterations. iteration 118: trace = 2.487055266003158 (0.000338734% change) large trace change predicted (0.00104506%) linmin: converged after 3 iterations. iteration 119: trace = 2.487029266684226 (0.00104539% change) linmin: converged after 4 iterations. iteration 120: trace = 2.487007971865747 (0.000856239% change) linmin: converged after 4 iterations. iteration 121: trace = 2.487000144833851 (0.000314717% change) large trace change predicted (0.00098169%) linmin: converged after 5 iterations. iteration 122: trace = 2.486975730154866 (0.000981697% change) linmin: converged after 3 iterations. iteration 123: trace = 2.486952827646625 (0.000920902% change) linmin: converged after 3 iterations. iteration 124: trace = 2.486940045383895 (0.000513974% change) large trace change predicted (0.00230676%) linmin: converged after 4 iterations. iteration 125: trace = 2.486882730702087 (0.00230465% change) linmin: converged after 3 iterations. iteration 126: trace = 2.486843220613449 (0.00158875% change) linmin: converged after 4 iterations. iteration 127: trace = 2.486783792724833 (0.00238972% change) linmin: converged after 4 iterations. iteration 128: trace = 2.486698791892305 (0.00341816% change) linmin: converged after 3 iterations. iteration 129: trace = 2.486661286309805 (0.00150826% change) linmin: converged after 7 iterations. iteration 130: trace = 2.486623172913379 (0.00153273% change) linmin: converged after 3 iterations. iteration 131: trace = 2.486591355088738 (0.00127957% change) linmin: converged after 3 iterations. iteration 132: trace = 2.486581495915449 (0.000396494% change) large trace change predicted (0.000963697%) linmin: converged after 4 iterations. iteration 133: trace = 2.486557524018012 (0.000964055% change) linmin: converged after 3 iterations. iteration 134: trace = 2.486535868448634 (0.000870909% change) linmin: converged after 3 iterations. iteration 135: trace = 2.486525734145124 (0.000407568% change) large trace change predicted (0.00132869%) linmin: converged after 3 iterations. iteration 136: trace = 2.486492672114544 (0.00132966% change) linmin: converged after 3 iterations. iteration 137: trace = 2.4864684568555 (0.000973877% change) linmin: converged after 3 iterations. iteration 138: trace = 2.486461344064414 (0.00028606% change) large trace change predicted (0.000628476%) linmin: converged after 3 iterations. iteration 139: trace = 2.486445718478366 (0.000628429% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.486440316002184 (0.000217277% change) linmin: converged after 3 iterations. iteration 141: trace = 2.486436897949191 (0.000137468% change) large trace change predicted (0.000494266%) linmin: converged after 6 iterations. iteration 142: trace = 2.486424619473493 (0.000493819% change) linmin: converged after 5 iterations. iteration 143: trace = 2.486421621317892 (0.000120581% change) large trace change predicted (0.000520131%) linmin: converged after 15 iterations. iteration 144: trace = 2.486408705250284 (0.000519465% change) linmin: converged after 6 iterations. iteration 145: trace = 2.486391995234417 (0.000672057% change) linmin: converged after 3 iterations. iteration 146: trace = 2.486387492495172 (0.000181095% change) large trace change predicted (0.000450639%) linmin: converged after 3 iterations. iteration 147: trace = 2.486376285763708 (0.000450724% change) linmin: converged after 4 iterations. iteration 148: trace = 2.486363602493589 (0.000510112% change) linmin: converged after 3 iterations. iteration 149: trace = 2.486359943403615 (0.000147166% change) large trace change predicted (0.000895146%) linmin: converged after 5 iterations. iteration 150: trace = 2.486337672880415 (0.000895712% change) linmin: converged after 3 iterations. iteration 151: trace = 2.486322372652038 (0.000615374% change) linmin: converged after 3 iterations. iteration 152: trace = 2.486310286550961 (0.000486105% change) linmin: converged after 4 iterations. iteration 153: trace = 2.486288351519972 (0.000882236% change) linmin: converged after 3 iterations. iteration 154: trace = 2.486270461204038 (0.000719562% change) linmin: converged after 3 iterations. iteration 155: trace = 2.486265078233208 (0.000216508% change) large trace change predicted (0.000473784%) linmin: converged after 3 iterations. iteration 156: trace = 2.486253288137071 (0.00047421% change) linmin: converged after 3 iterations. iteration 157: trace = 2.486244471224024 (0.000354627% change) linmin: converged after 3 iterations. iteration 158: trace = 2.486241791578302 (0.000107779% change) large trace change predicted (0.000397653%) linmin: converged after 3 iterations. iteration 159: trace = 2.486231901543722 (0.000397791% change) linmin: converged after 3 iterations. iteration 160: trace = 2.486229388624313 (0.000101073% change) large trace change predicted (0.000218116%) linmin: converged after 3 iterations. iteration 161: trace = 2.486223965460543 (0.000218128% change) linmin: converged after 3 iterations. iteration 162: trace = 2.486219141454832 (0.00019403% change) linmin: converged after 3 iterations. iteration 163: trace = 2.486216681749386 (9.89336e-05% change) large trace change predicted (0.000284402%) linmin: converged after 6 iterations. iteration 164: trace = 2.486209618362964 (0.000284102% change) linmin: converged after 23 iterations. iteration 165: trace = 2.486198883418821 (0.00043178% change) linmin: converged after 19 iterations. iteration 166: trace = 2.486195868179986 (0.000121279% change) large trace change predicted (0.000255398%) linmin: converged after 4 iterations. iteration 167: trace = 2.486189521272439 (0.000255286% change) linmin: converged after 4 iterations. iteration 168: trace = 2.486181623261373 (0.000317676% change) linmin: converged after 3 iterations. iteration 169: trace = 2.486178527728146 (0.00012451% change) linmin: converged after 4 iterations. iteration 170: trace = 2.486172932683418 (0.000225046% change) linmin: converged after 4 iterations. iteration 171: trace = 2.486164266855635 (0.000348562% change) linmin: converged after 4 iterations. iteration 172: trace = 2.486160649663025 (0.000145493% change) large trace change predicted (0.000303333%) linmin: converged after 3 iterations. iteration 173: trace = 2.486153110623879 (0.000303241% change) linmin: converged after 4 iterations. iteration 174: trace = 2.486145958516302 (0.000287678% change) linmin: converged after 7 iterations. iteration 175: trace = 2.486143253537672 (0.000108802% change) large trace change predicted (0.000275365%) linmin: converged after 3 iterations. iteration 176: trace = 2.486136409821238 (0.000275275% change) linmin: converged after 4 iterations. iteration 177: trace = 2.48613149952664 (0.000197507% change) linmin: converged after 5 iterations. iteration 178: trace = 2.486129092153331 (9.68321e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.48612481206577 (0.000172159% change) linmin: converged after 4 iterations. iteration 180: trace = 2.486122211310087 (0.000104611% change) linmin: converged after 3 iterations. iteration 181: trace = 2.486119066555182 (0.000126492% change) large trace change predicted (0.000341478%) linmin: converged after 4 iterations. iteration 182: trace = 2.486110582934301 (0.00034124% change) linmin: converged after 3 iterations. iteration 183: trace = 2.486105934249012 (0.000186986% change) linmin: converged after 4 iterations. iteration 184: trace = 2.486103648652534 (9.19348e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.486099630498395 (0.000161625% change) linmin: converged after 3 iterations. iteration 186: trace = 2.486095589937971 (0.000162526% change) linmin: converged after 3 iterations. iteration 187: trace = 2.486093695745089 (7.61915e-05% change) large trace change predicted (0.000189711%) linmin: converged after 5 iterations. iteration 188: trace = 2.486088979197969 (0.000189717% change) linmin: converged after 3 iterations. iteration 189: trace = 2.486086845441113 (8.58279e-05% change) large trace change predicted (0.000210963%) linmin: converged after 3 iterations. iteration 190: trace = 2.486081598975246 (0.000211033% change) linmin: converged after 3 iterations. iteration 191: trace = 2.486075445989276 (0.000247498% change) linmin: converged after 3 iterations. iteration 192: trace = 2.486072784963713 (0.000107037% change) linmin: converged after 3 iterations. iteration 193: trace = 2.486067978207759 (0.000193348% change) linmin: converged after 3 iterations. iteration 194: trace = 2.486062669328761 (0.000213545% change) linmin: converged after 3 iterations. iteration 195: trace = 2.486061490394072 (4.74218e-05% change) large trace change predicted (0.000140042%) linmin: converged after 4 iterations. iteration 196: trace = 2.486058007016652 (0.000140116% change) linmin: converged after 3 iterations. iteration 197: trace = 2.486054811393256 (0.000128542% change) linmin: converged after 5 iterations. iteration 198: trace = 2.486053727921057 (4.3582e-05% change) large trace change predicted (9.18039e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.486051444543701 (9.18475e-05% change) linmin: converged after 4 iterations. iteration 200: trace = 2.48604871018823 (0.000109988% change) linmin: converged after 4 iterations. iteration 201: trace = 2.486047081327871 (6.55201e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.486045468864992 (6.48605e-05% change) large trace change predicted (0.000223438%) linmin: converged after 4 iterations. iteration 203: trace = 2.486039910217959 (0.000223594% change) linmin: converged after 2 iterations. iteration 204: trace = 2.486038922013825 (3.97501e-05% change) large trace change predicted (0.000199919%) linmin: converged after 3 iterations. iteration 205: trace = 2.486033950211503 (0.000199989% change) linmin: converged after 3 iterations. iteration 206: trace = 2.486031306054993 (0.00010636% change) linmin: converged after 4 iterations. iteration 207: trace = 2.486030231168287 (4.32371e-05% change) large trace change predicted (8.93124e-05%) linmin: converged after 4 iterations. iteration 208: trace = 2.486028011030611 (8.93046e-05% change) large trace change predicted (0.000184494%) linmin: converged after 6 iterations. iteration 209: trace = 2.486023428236718 (0.000184342% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.48602202168585 (5.65784e-05% change) linmin: converged after 12 iterations. iteration 211: trace = 2.486020018723904 (8.0569e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.486018320754877 (6.83007e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.486017457263136 (3.47339e-05% change) large trace change predicted (7.40508e-05%) linmin: converged after 4 iterations. iteration 214: trace = 2.486015616836127 (7.40312e-05% change) linmin: converged after 10 iterations. iteration 215: trace = 2.486012916941027 (0.000108603% change) linmin: converged after 3 iterations. iteration 216: trace = 2.486012291214537 (2.51699e-05% change) large trace change predicted (8.39124e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.486010206453553 (8.38597e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.486008460770565 (7.02203e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.486007789783964 (2.69905e-05% change) large trace change predicted (8.16819e-05%) linmin: converged after 5 iterations. iteration 220: trace = 2.486005760354276 (8.16341e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.486005045497719 (2.87552e-05% change) large trace change predicted (6.61263e-05%) linmin: converged after 9 iterations. iteration 222: trace = 2.486003402161579 (6.61035e-05% change) linmin: converged after 5 iterations. iteration 223: trace = 2.486001996233311 (5.65538e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.486000042584344 (7.8586e-05% change) linmin: converged after 5 iterations. iteration 225: trace = 2.485999119309783 (3.7139e-05% change) large trace change predicted (0.000140858%) linmin: converged after 10 iterations. iteration 226: trace = 2.485995618704608 (0.000140813% change) linmin: converged after 3 iterations. iteration 227: trace = 2.485994100233929 (6.1081e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.485991521445129 (0.000103733% change) linmin: converged after 3 iterations. iteration 229: trace = 2.485988403934094 (0.000125403% change) linmin: converged after 3 iterations. iteration 230: trace = 2.485987503584906 (3.6217e-05% change) large trace change predicted (0.000111695%) linmin: converged after 5 iterations. iteration 231: trace = 2.485984727381403 (0.000111674% change) linmin: converged after 5 iterations. iteration 232: trace = 2.485982326403656 (9.65806e-05% change) linmin: converged after 5 iterations. iteration 233: trace = 2.485981651611549 (2.71439e-05% change) large trace change predicted (6.92219e-05%) linmin: converged after 3 iterations. iteration 234: trace = 2.485979930570006 (6.92299e-05% change) linmin: converged after 5 iterations. iteration 235: trace = 2.485977905199617 (8.14717e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.48597730380663 (2.41914e-05% change) large trace change predicted (8.42799e-05%) linmin: converged after 4 iterations. iteration 237: trace = 2.485975208536899 (8.42836e-05% change) linmin: converged after 4 iterations. iteration 238: trace = 2.485972481099969 (0.000109713% change) linmin: converged after 5 iterations. iteration 239: trace = 2.485971839214122 (2.58203e-05% change) large trace change predicted (5.6214e-05%) linmin: converged after 3 iterations. iteration 240: trace = 2.485970441700708 (5.6216e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.485968844084179 (6.42653e-05% change) linmin: converged after 3 iterations. iteration 242: trace = 2.485968424802206 (1.68659e-05% change) large trace change predicted (6.98542e-05%) linmin: converged after 4 iterations. iteration 243: trace = 2.485966688376817 (6.98491e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.485965446971699 (4.99365e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.485964604852616 (3.38749e-05% change) large trace change predicted (0.000103126%) linmin: converged after 3 iterations. iteration 246: trace = 2.485962041276639 (0.000103122% change) linmin: converged after 6 iterations. iteration 247: trace = 2.485960303402692 (6.99075e-05% change) linmin: converged after 5 iterations. iteration 248: trace = 2.485957665169964 (0.000106125% change) linmin: converged after 3 iterations. iteration 249: trace = 2.485954723603623 (0.000118327% change) linmin: converged after 3 iterations. iteration 250: trace = 2.485954009590688 (2.87219e-05% change) linmin: converged after 5 iterations. iteration 251: trace = 2.485952659138304 (5.43233e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.485950347235431 (9.29987e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.485949172321636 (4.72622e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.485947577225308 (6.41645e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.485945662020343 (7.70413e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.485944562755226 (4.42192e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.485943623257654 (3.77924e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.485942113115575 (6.07473e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.485941692883185 (1.69044e-05% change) large trace change predicted (5.55981e-05%) linmin: converged after 3 iterations. iteration 260: trace = 2.485940310662413 (5.56015e-05% change) linmin: converged after 4 iterations. iteration 261: trace = 2.485938556977435 (7.05442e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.485938117284358 (1.76872e-05% change) large trace change predicted (5.47196e-05%) linmin: converged after 4 iterations. iteration 263: trace = 2.485936757504735 (5.46989e-05% change) linmin: converged after 4 iterations. iteration 264: trace = 2.485934872111849 (7.58424e-05% change) linmin: converged after 2 iterations. iteration 265: trace = 2.485934342667958 (2.12976e-05% change) large trace change predicted (0.000115978%) linmin: converged after 20 iterations. iteration 266: trace = 2.485931462012558 (0.000115878% change) linmin: converged after 4 iterations. iteration 267: trace = 2.485929664190849 (7.23199e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.48592863729641 (4.13083e-05% change) large trace change predicted (9.58579e-05%) linmin: converged after 7 iterations. iteration 269: trace = 2.485926255828979 (9.57979e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.485924124492907 (8.57361e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.485923745827829 (1.52324e-05% change) large trace change predicted (7.43766e-05%) linmin: converged after 3 iterations. iteration 272: trace = 2.485921896978573 (7.43728e-05% change) linmin: converged after 5 iterations. iteration 273: trace = 2.485921078711772 (3.2916e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.48592048381861 (2.39305e-05% change) large trace change predicted (7.98036e-05%) linmin: converged after 4 iterations. iteration 275: trace = 2.485918499997581 (7.98023e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.485917726900054 (3.10991e-05% change) linmin: converged after 4 iterations. iteration 277: trace = 2.485916798874416 (3.73313e-05% change) linmin: converged after 3 iterations. iteration 278: trace = 2.485915841890903 (3.84962e-05% change) linmin: converged after 4 iterations. iteration 279: trace = 2.485915428001314 (1.66494e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.485915156796766 (1.09096e-05% change) large trace change predicted (2.45237e-05%) linmin: converged after 4 iterations. iteration 281: trace = 2.485914547198413 (2.45221e-05% change) linmin: converged after 2 iterations. iteration 282: trace = 2.48591397024841 (2.32088e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.485913416994713 (2.22555e-05% change) linmin: converged after 4 iterations. iteration 284: trace = 2.485912346741366 (4.30527e-05% change) linmin: converged after 4 iterations. iteration 285: trace = 2.485911911775135 (1.74972e-05% change) large trace change predicted (3.78617e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.485910970666737 (3.78577e-05% change) linmin: converged after 3 iterations. iteration 287: trace = 2.485909928737816 (4.19134e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.485909652038214 (1.11307e-05% change) large trace change predicted (3.44923e-05%) linmin: converged after 4 iterations. iteration 289: trace = 2.485908794542906 (3.44942e-05% change) linmin: converged after 3 iterations. iteration 290: trace = 2.485907580723941 (4.8828e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.485907230171407 (1.41016e-05% change) large trace change predicted (7.80145e-05%) linmin: converged after 5 iterations. iteration 292: trace = 2.485905288868155 (7.80924e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.485904457413371 (3.34468e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.485903618487427 (3.37473e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.485902688182957 (3.74232e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.485901918355574 (3.09677e-05% change) linmin: converged after 3 iterations. iteration 297: trace = 2.485901734629439 (7.39072e-06% change) large trace change predicted (3.39546e-05%) linmin: converged after 3 iterations. iteration 298: trace = 2.485900890495897 (3.39568e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.48590041018798 (1.93213e-05% change) linmin: converged after 4 iterations. iteration 300: trace = 2.485900180711757 (9.23111e-06% change) large trace change predicted (2.9496e-05%) linmin: converged after 3 iterations. iteration 301: trace = 2.485899447482988 (2.94955e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.485899135824026 (1.25371e-05% change) large trace change predicted (2.62525e-05%) linmin: converged after 3 iterations. iteration 303: trace = 2.485898483180081 (2.62538e-05% change) linmin: converged after 3 iterations. iteration 304: trace = 2.485897748158209 (2.95677e-05% change) linmin: converged after 13 iterations. iteration 305: trace = 2.485897472633001 (1.10835e-05% change) large trace change predicted (2.76783e-05%) linmin: converged after 4 iterations. iteration 306: trace = 2.485896784643212 (2.76757e-05% change) linmin: converged after 3 iterations. iteration 307: trace = 2.485896208114291 (2.3192e-05% change) linmin: converged after 16 iterations. iteration 308: trace = 2.485895611119694 (2.40153e-05% change) linmin: converged after 2 iterations. iteration 309: trace = 2.485895272828215 (1.36084e-05% change) large trace change predicted (2.81279e-05%) linmin: converged after 3 iterations. iteration 310: trace = 2.485894573694849 (2.8124e-05% change) linmin: converged after 3 iterations. iteration 311: trace = 2.485894358226965 (8.66762e-06% change) large trace change predicted (2.39788e-05%) linmin: converged after 5 iterations. iteration 312: trace = 2.485893762301133 (2.39723e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.485893047776924 (2.87432e-05% change) linmin: converged after 3 iterations. iteration 314: trace = 2.485892908701802 (5.59457e-06% change) large trace change predicted (2.65519e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.485892248902879 (2.65417e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.485891877518642 (1.49397e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.485891750872335 (5.0946e-06% change) large trace change predicted (1.6811e-05%) linmin: converged after 3 iterations. iteration 318: trace = 2.485891333048813 (1.68078e-05% change) linmin: converged after 5 iterations. iteration 319: trace = 2.485890959707071 (1.50184e-05% change) linmin: converged after 19 iterations. iteration 320: trace = 2.485890817568823 (5.7178e-06% change) large trace change predicted (2.65065e-05%) linmin: converged after 16 iterations. iteration 321: trace = 2.485890158826757 (2.64992e-05% change) linmin: converged after 4 iterations. iteration 322: trace = 2.485889705876483 (1.82208e-05% change) linmin: converged after 3 iterations. iteration 323: trace = 2.485889538126151 (6.7481e-06% change) large trace change predicted (1.95807e-05%) linmin: converged after 4 iterations. iteration 324: trace = 2.485889051509746 (1.95751e-05% change) linmin: converged after 2 iterations. iteration 325: trace = 2.485888757339809 (1.18336e-05% change) linmin: converged after 4 iterations. iteration 326: trace = 2.485888545542125 (8.52e-06% change) large trace change predicted (1.97252e-05%) linmin: converged after 7 iterations. iteration 327: trace = 2.485888055232837 (1.97237e-05% change) linmin: converged after 2 iterations. iteration 328: trace = 2.485887788638825 (1.07243e-05% change) linmin: converged after 3 iterations. iteration 329: trace = 2.485887463090222 (1.30959e-05% change) large trace change predicted (2.65074e-05%) linmin: converged after 3 iterations. iteration 330: trace = 2.485886804123782 (2.65083e-05% change) linmin: converged after 5 iterations. iteration 331: trace = 2.485886494136767 (1.24699e-05% change) linmin: converged after 3 iterations. iteration 332: trace = 2.48588596819191 (2.11572e-05% change) linmin: converged after 3 iterations. iteration 333: trace = 2.485885515568653 (1.82077e-05% change) linmin: converged after 2 iterations. iteration 334: trace = 2.485885362111051 (6.17316e-06% change) linmin: converged after 2 iterations. iteration 335: trace = 2.485885210707106 (6.09054e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.485884945045744 (1.06868e-05% change) linmin: converged after 4 iterations. iteration 337: trace = 2.485884877394166 (2.72143e-06% change) large trace change predicted (8.92198e-06%) linmin: converged after 4 iterations. iteration 338: trace = 2.485884655577982 (8.92303e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.485884475797544 (7.23205e-06% change) linmin: converged after 4 iterations. iteration 340: trace = 2.485884400738471 (3.01941e-06% change) large trace change predicted (1.03345e-05%) linmin: converged after 3 iterations. iteration 341: trace = 2.485884143787008 (1.03364e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.485883765246077 (1.52276e-05% change) linmin: converged after 4 iterations. iteration 343: trace = 2.485883671025189 (3.79024e-06% change) large trace change predicted (1.2505e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.485883360095597 (1.25078e-05% change) linmin: converged after 4 iterations. iteration 345: trace = 2.485883118815805 (9.706e-06% change) linmin: converged after 6 iterations. iteration 346: trace = 2.485883019168665 (4.00852e-06% change) large trace change predicted (1.35496e-05%) linmin: converged after 5 iterations. iteration 347: trace = 2.485882682316431 (1.35506e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.485882555980481 (5.08214e-06% change) linmin: converged after 3 iterations. iteration 349: trace = 2.485882306930253 (1.00186e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.48588209723502 (8.43545e-06% change) linmin: converged after 3 iterations. iteration 351: trace = 2.48588200409695 (3.74668e-06% change) large trace change predicted (1.0543e-05%) linmin: converged after 3 iterations. iteration 352: trace = 2.485881742042807 (1.05417e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.485881636544489 (4.2439e-06% change) linmin: converged after 4 iterations. iteration 354: trace = 2.485881483251974 (6.16653e-06% change) linmin: converged after 5 iterations. iteration 355: trace = 2.485881204668219 (1.12066e-05% change) linmin: converged after 6 iterations. iteration 356: trace = 2.485881132200586 (2.91517e-06% change) large trace change predicted (7.88748e-06%) linmin: converged after 4 iterations. iteration 357: trace = 2.485880936172148 (7.88567e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.485880777292191 (6.39129e-06% change) linmin: converged after 3 iterations. iteration 359: trace = 2.485880700031593 (3.10798e-06% change) large trace change predicted (6.38219e-06%) linmin: converged after 14 iterations. iteration 360: trace = 2.485880541401155 (6.38126e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.485880354929694 (7.50122e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.485880294930855 (2.41359e-06% change) large trace change predicted (6.20151e-06%) linmin: converged after 6 iterations. iteration 363: trace = 2.485880140784376 (6.20088e-06% change) linmin: converged after 4 iterations. iteration 364: trace = 2.485879979101922 (6.50403e-06% change) linmin: converged after 4 iterations. iteration 365: trace = 2.485879919103026 (2.41359e-06% change) large trace change predicted (1.33255e-05%) linmin: converged after 8 iterations. iteration 366: trace = 2.485879587889342 (1.33238e-05% change) linmin: converged after 7 iterations. iteration 367: trace = 2.485879201432082 (1.55461e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.485879067998373 (5.36767e-06% change) large trace change predicted (1.37008e-05%) linmin: converged after 3 iterations. iteration 369: trace = 2.485878727406584 (1.37011e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.485878428101167 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 371: trace = 2.485878346726981 (3.27346e-06% change) large trace change predicted (1.08916e-05%) linmin: converged after 2 iterations. iteration 372: trace = 2.485878075971529 (1.08917e-05% change) linmin: converged after 2 iterations. iteration 373: trace = 2.485877928417474 (5.93569e-06% change) linmin: converged after 3 iterations. iteration 374: trace = 2.48587782103891 (4.31954e-06% change) large trace change predicted (8.99719e-06%) linmin: converged after 5 iterations. iteration 375: trace = 2.485877597367579 (8.99768e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.485877350423996 (9.93386e-06% change) linmin: converged after 4 iterations. iteration 377: trace = 2.485877285297414 (2.61986e-06% change) large trace change predicted (1.09292e-05%) linmin: converged after 3 iterations. iteration 378: trace = 2.485877013583101 (1.09303e-05% change) linmin: converged after 3 iterations. iteration 379: trace = 2.485876883662909 (5.22633e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.485876813353013 (2.82837e-06% change) linmin: converged after 2 iterations. iteration 381: trace = 2.48587669382159 (4.80842e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.485876488279835 (8.26838e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.485876440512067 (1.92157e-06% change) large trace change predicted (8.09195e-06%) linmin: converged after 3 iterations. iteration 384: trace = 2.485876239372412 (8.0913e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.485876027286559 (8.53163e-06% change) linmin: converged after 4 iterations. iteration 386: trace = 2.485875946859879 (3.23535e-06% change) large trace change predicted (1.41237e-05%) linmin: converged after 4 iterations. iteration 387: trace = 2.485875595742851 (1.41245e-05% change) linmin: converged after 4 iterations. iteration 388: trace = 2.485875514501315 (3.26813e-06% change) large trace change predicted (1.03704e-05%) linmin: converged after 7 iterations. iteration 389: trace = 2.485875256708515 (1.03703e-05% change) linmin: converged after 6 iterations. iteration 390: trace = 2.485875066155807 (7.66542e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.485874969091101 (3.90465e-06% change) linmin: converged after 17 iterations. iteration 392: trace = 2.485874801742324 (6.73199e-06% change) linmin: converged after 3 iterations. iteration 393: trace = 2.485874522054159 (1.12511e-05% change) linmin: converged after 3 iterations. iteration 394: trace = 2.485874392273183 (5.22074e-06% change) linmin: converged after 3 iterations. iteration 395: trace = 2.485874272914492 (4.80148e-06% change) linmin: converged after 5 iterations. iteration 396: trace = 2.485874066515826 (8.30286e-06% change) linmin: converged after 3 iterations. iteration 397: trace = 2.485873981502775 (3.41985e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.485873847026941 (5.4096e-06% change) linmin: converged after 3 iterations. iteration 399: trace = 2.485873656468925 (7.66564e-06% change) linmin: converged after 3 iterations. iteration 400: trace = 2.485873592123216 (2.58845e-06% change) large trace change predicted (5.24019e-06%) linmin: converged after 4 iterations. iteration 401: trace = 2.485873461876362 (5.23948e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.485873332707443 (5.19612e-06% change) linmin: converged after 3 iterations. iteration 403: trace = 2.485873263874981 (2.76894e-06% change) large trace change predicted (7.17064e-06%) linmin: converged after 3 iterations. iteration 404: trace = 2.485873085637827 (7.17e-06% change) linmin: converged after 3 iterations. iteration 405: trace = 2.485872821346301 (1.06317e-05% change) linmin: converged after 5 iterations. iteration 406: trace = 2.485872729276638 (3.70372e-06% change) large trace change predicted (1.06372e-05%) linmin: converged after 4 iterations. iteration 407: trace = 2.485872464910204 (1.06348e-05% change) linmin: converged after 3 iterations. iteration 408: trace = 2.485872311313276 (6.17879e-06% change) linmin: converged after 14 iterations. iteration 409: trace = 2.485872223936334 (3.51494e-06% change) large trace change predicted (7.78093e-06%) linmin: converged after 5 iterations. iteration 410: trace = 2.485872030531145 (7.78017e-06% change) linmin: converged after 3 iterations. iteration 411: trace = 2.485871884420846 (5.87763e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.485871815218446 (2.78383e-06% change) linmin: converged after 4 iterations. iteration 413: trace = 2.485871683821008 (5.28577e-06% change) linmin: converged after 4 iterations. iteration 414: trace = 2.485871494428108 (7.61877e-06% change) linmin: converged after 5 iterations. iteration 415: trace = 2.48587145720753 (1.49728e-06% change) large trace change predicted (6.71818e-06%) linmin: converged after 3 iterations. iteration 416: trace = 2.485871290193783 (6.71852e-06% change) linmin: converged after 2 iterations. iteration 417: trace = 2.485871231414292 (2.36454e-06% change) linmin: converged after 3 iterations. iteration 418: trace = 2.485871190841979 (1.63212e-06% change) large trace change predicted (7.01105e-06%) linmin: converged after 4 iterations. iteration 419: trace = 2.485871016566595 (7.01064e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.485870912572561 (4.1834e-06% change) linmin: converged after 2 iterations. iteration 421: trace = 2.485870880991395 (1.27043e-06% change) large trace change predicted (3.37745e-06%) linmin: converged after 3 iterations. iteration 422: trace = 2.485870797035556 (3.37732e-06% change) linmin: converged after 3 iterations. iteration 423: trace = 2.485870744256358 (2.12317e-06% change) linmin: converged after 7 iterations. iteration 424: trace = 2.485870670290663 (2.97544e-06% change) linmin: converged after 3 iterations. iteration 425: trace = 2.485870544491732 (5.06056e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.485870481732443 (2.52464e-06% change) linmin: converged after 4 iterations. iteration 427: trace = 2.485870411175001 (2.83834e-06% change) linmin: converged after 26 iterations. iteration 428: trace = 2.485870290780793 (4.84314e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.485870255391174 (1.42363e-06% change) large trace change predicted (4.73544e-06%) linmin: converged after 21 iterations. iteration 430: trace = 2.485870137671351 (4.73556e-06% change) linmin: converged after 15 iterations. iteration 431: trace = 2.485870039418725 (3.95244e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.485869986993713 (2.10892e-06% change) large trace change predicted (5.35082e-06%) linmin: converged after 3 iterations. iteration 433: trace = 2.485869853958143 (5.35167e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.485869680056128 (6.99562e-06% change) linmin: converged after 9 iterations. iteration 435: trace = 2.485869643684701 (1.46313e-06% change) large trace change predicted (5.63131e-06%) linmin: converged after 5 iterations. iteration 436: trace = 2.485869503665958 (5.63259e-06% change) linmin: converged after 14 iterations. iteration 437: trace = 2.485869439645072 (2.57539e-06% change) linmin: converged after 3 iterations. iteration 438: trace = 2.485869413994621 (1.03185e-06% change) large trace change predicted (3.37021e-06%) linmin: converged after 3 iterations. iteration 439: trace = 2.485869330210942 (3.3704e-06% change) linmin: converged after 12 iterations. iteration 440: trace = 2.48586928059478 (1.99593e-06% change) linmin: converged after 3 iterations. iteration 441: trace = 2.485869233179883 (1.90738e-06% change) linmin: converged after 4 iterations. iteration 442: trace = 2.485869145610005 (3.52271e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.485869063473394 (3.30414e-06% change) linmin: converged after 2 iterations. iteration 444: trace = 2.485869041127063 (8.98934e-07% change) large trace change predicted (4.19972e-06%) linmin: converged after 5 iterations. iteration 445: trace = 2.485868936738284 (4.19929e-06% change) linmin: converged after 2 iterations. iteration 446: trace = 2.48586888401891 (2.12076e-06% change) linmin: converged after 4 iterations. iteration 447: trace = 2.485868832915147 (2.05577e-06% change) linmin: converged after 3 iterations. iteration 448: trace = 2.485868747720442 (3.42716e-06% change) linmin: converged after 4 iterations. iteration 449: trace = 2.485868684554225 (2.54101e-06% change) linmin: converged after 2 iterations. iteration 450: trace = 2.485868659687701 (1.00032e-06% change) large trace change predicted (2.96403e-06%) linmin: converged after 4 iterations. iteration 451: trace = 2.485868586011092 (2.96382e-06% change) linmin: converged after 4 iterations. iteration 452: trace = 2.485868490425078 (3.84518e-06% change) linmin: converged after 3 iterations. iteration 453: trace = 2.48586846793009 (9.04915e-07% change) large trace change predicted (2.81081e-06%) linmin: converged after 3 iterations. iteration 454: trace = 2.485868398063671 (2.81054e-06% change) linmin: converged after 7 iterations. iteration 455: trace = 2.485868322227633 (3.05069e-06% change) linmin: converged after 32 iterations. iteration 456: trace = 2.48586830730178 (6.00428e-07% change) large trace change predicted (2.52101e-06%) linmin: converged after 29 iterations. iteration 457: trace = 2.485868244635478 (2.5209e-06% change) linmin: converged after 10 iterations. iteration 458: trace = 2.485868224743199 (8.00215e-07% change) linmin: converged after 2 iterations. iteration 459: trace = 2.485868188256212 (1.46778e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.48586815534189 (1.32406e-06% change) linmin: converged after 3 iterations. iteration 461: trace = 2.485868133450664 (8.80627e-07% change) large trace change predicted (1.98458e-06%) linmin: converged after 3 iterations. iteration 462: trace = 2.485868084120775 (1.98441e-06% change) linmin: converged after 4 iterations. iteration 463: trace = 2.485868019497456 (2.59963e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.485867996293494 (9.33435e-07% change) linmin: converged after 4 iterations. iteration 465: trace = 2.485867953826549 (1.70833e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.485867893073292 (2.44395e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.485867876025061 (6.85806e-07% change) large trace change predicted (2.36046e-06%) linmin: converged after 3 iterations. iteration 468: trace = 2.485867817348503 (2.36041e-06% change) linmin: converged after 2 iterations. iteration 469: trace = 2.485867762714372 (2.19779e-06% change) linmin: converged after 5 iterations. iteration 470: trace = 2.485867734917171 (1.11821e-06% change) large trace change predicted (2.39405e-06%) linmin: converged after 2 iterations. iteration 471: trace = 2.485867675403512 (2.39408e-06% change) linmin: converged after 2 iterations. iteration 472: trace = 2.485867613174001 (2.50333e-06% change) linmin: converged after 16 iterations. iteration 473: trace = 2.485867592989133 (8.11985e-07% change) large trace change predicted (2.0842e-06%) linmin: converged after 8 iterations. iteration 474: trace = 2.485867541177512 (2.08425e-06% change) linmin: converged after 3 iterations. iteration 475: trace = 2.485867507563353 (1.35221e-06% change) linmin: converged after 22 iterations. iteration 476: trace = 2.485867498849147 (3.5055e-07% change) large trace change predicted (7.73015e-07%) linmin: converged after 2 iterations. iteration 477: trace = 2.485867479632895 (7.7302e-07% change) linmin: converged after 17 iterations. iteration 478: trace = 2.485867450606877 (1.16764e-06% change) linmin: converged after 32 iterations. iteration 479: trace = 2.485867444141832 (2.60072e-07% change) large trace change predicted (1.05355e-06%) linmin: converged after 4 iterations. iteration 480: trace = 2.485867417950375 (1.05361e-06% change) linmin: converged after 2 iterations. iteration 481: trace = 2.485867396817774 (8.5011e-07% change) linmin: converged after 2 iterations. iteration 482: trace = 2.485867386773368 (4.0406e-07% change) large trace change predicted (1.09553e-06%) linmin: converged after 3 iterations. iteration 483: trace = 2.485867359538926 (1.09557e-06% change) linmin: converged after 2 iterations. iteration 484: trace = 2.48586732478117 (1.39821e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.485867311055481 (5.52149e-07% change) large trace change predicted (1.7335e-06%) linmin: converged after 3 iterations. iteration 486: trace = 2.485867267961204 (1.73357e-06% change) linmin: converged after 2 iterations. iteration 487: trace = 2.485867244239801 (9.54251e-07% change) linmin: converged after 2 iterations. iteration 488: trace = 2.485867233828202 (4.18832e-07% change) large trace change predicted (1.25791e-06%) linmin: converged after 5 iterations. iteration 489: trace = 2.48586720255778 (1.25793e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.485867179788646 (9.15943e-07% change) linmin: converged after 3 iterations. iteration 491: trace = 2.485867169784331 (4.02448e-07% change) large trace change predicted (9.8972e-07%) linmin: converged after 3 iterations. iteration 492: trace = 2.485867145181219 (9.89719e-07% change) linmin: converged after 2 iterations. iteration 493: trace = 2.485867122368226 (9.17708e-07% change) linmin: converged after 18 iterations. iteration 494: trace = 2.485867109572829 (5.14726e-07% change) large trace change predicted (1.27129e-06%) linmin: converged after 3 iterations. iteration 495: trace = 2.485867077972008 (1.27122e-06% change) linmin: converged after 4 iterations. iteration 496: trace = 2.485867055912573 (8.87394e-07% change) linmin: converged after 2 iterations. iteration 497: trace = 2.485867044729456 (4.49868e-07% change) linmin: converged after 12 iterations. iteration 498: trace = 2.48586702695478 (7.15029e-07% change) linmin: converged after 8 iterations. iteration 499: trace = 2.485867016233747 (4.31279e-07% change) linmin: converged after 3 iterations. iteration 500: trace = 2.485867004623938 (4.67033e-07% change) large trace change predicted (9.55285e-07%) linmin: converged after 3 iterations. iteration 501: trace = 2.485866980878031 (9.55236e-07% change) linmin: converged after 4 iterations. iteration 502: trace = 2.485866973526107 (2.95749e-07% change) linmin: converged after 3 iterations. iteration 503: trace = 2.485866961229981 (4.94641e-07% change) linmin: converged after 3 iterations. iteration 504: trace = 2.485866939099254 (8.90262e-07% change) linmin: converged after 3 iterations. iteration 505: trace = 2.485866918690563 (8.20989e-07% change) linmin: converged after 4 iterations. iteration 506: trace = 2.485866895872162 (9.17925e-07% change) large trace change predicted (1.9145e-06%) linmin: converged after 4 iterations. iteration 507: trace = 2.485866848281662 (1.91444e-06% change) linmin: converged after 3 iterations. iteration 508: trace = 2.485866830020769 (7.34589e-07% change) linmin: converged after 9 iterations. iteration 509: trace = 2.485866798780411 (1.25672e-06% change) linmin: converged after 4 iterations. iteration 510: trace = 2.485866759679631 (1.57292e-06% change) linmin: converged after 3 iterations. iteration 511: trace = 2.485866751384479 (3.33693e-07% change) large trace change predicted (1.41447e-06%) linmin: converged after 2 iterations. iteration 512: trace = 2.485866716222462 (1.41448e-06% change) linmin: converged after 2 iterations. iteration 513: trace = 2.485866691268892 (1.00382e-06% change) linmin: converged after 3 iterations. iteration 514: trace = 2.485866681071788 (4.10203e-07% change) large trace change predicted (1.17446e-06%) linmin: converged after 2 iterations. iteration 515: trace = 2.485866651874806 (1.17452e-06% change) linmin: converged after 30 iterations. iteration 516: trace = 2.485866629997839 (8.80054e-07% change) linmin: converged after 24 iterations. iteration 517: trace = 2.485866618664308 (4.55919e-07% change) large trace change predicted (1.14796e-06%) linmin: converged after 3 iterations. iteration 518: trace = 2.485866590126886 (1.14799e-06% change) linmin: converged after 3 iterations. iteration 519: trace = 2.485866569538686 (8.2821e-07% change) linmin: converged after 8 iterations. iteration 520: trace = 2.48586655371236 (6.36652e-07% change) linmin: converged after 4 iterations. iteration 521: trace = 2.485866548712139 (2.01146e-07% change) large trace change predicted (9.13106e-07%) linmin: converged after 4 iterations. iteration 522: trace = 2.485866526013558 (9.13105e-07% change) linmin: converged after 2 iterations. iteration 523: trace = 2.485866506401708 (7.88934e-07% change) linmin: converged after 3 iterations. iteration 524: trace = 2.48586649009149 (6.56118e-07% change) large trace change predicted (1.48377e-06%) linmin: converged after 3 iterations. iteration 525: trace = 2.485866453205912 (1.48381e-06% change) linmin: converged after 4 iterations. iteration 526: trace = 2.485866436147058 (6.86234e-07% change) linmin: converged after 2 iterations. iteration 527: trace = 2.485866420919921 (6.12548e-07% change) linmin: converged after 2 iterations. iteration 528: trace = 2.485866390685679 (1.21625e-06% change) linmin: converged after 3 iterations. iteration 529: trace = 2.485866382828613 (3.1607e-07% change) large trace change predicted (9.44287e-07%) linmin: converged after 3 iterations. iteration 530: trace = 2.48586635935478 (9.44292e-07% change) linmin: converged after 20 iterations. iteration 531: trace = 2.485866335741836 (9.49888e-07% change) linmin: converged after 22 iterations. iteration 532: trace = 2.485866323248332 (5.02581e-07% change) large trace change predicted (1.07893e-06%) linmin: converged after 16 iterations. iteration 533: trace = 2.485866296426903 (1.07896e-06% change) linmin: converged after 5 iterations. iteration 534: trace = 2.48586626738511 (1.16828e-06% change) linmin: converged after 6 iterations. iteration 535: trace = 2.485866258972777 (3.38407e-07% change) large trace change predicted (9.12254e-07%) linmin: converged after 2 iterations. iteration 536: trace = 2.485866236295242 (9.12259e-07% change) linmin: converged after 5 iterations. iteration 537: trace = 2.485866212413076 (9.60718e-07% change) linmin: converged after 3 iterations. iteration 538: trace = 2.485866205654591 (2.71876e-07% change) large trace change predicted (7.64061e-07%) linmin: converged after 20 iterations. iteration 539: trace = 2.485866186660834 (7.6407e-07% change) linmin: converged after 4 iterations. iteration 540: trace = 2.485866170809313 (6.37666e-07% change) linmin: converged after 5 iterations. iteration 541: trace = 2.485866165744737 (2.03735e-07% change) large trace change predicted (7.56376e-07%) linmin: converged after 5 iterations. iteration 542: trace = 2.485866146942725 (7.56357e-07% change) linmin: converged after 11 iterations. iteration 543: trace = 2.485866130747774 (6.51481e-07% change) linmin: converged after 4 iterations. iteration 544: trace = 2.485866122032381 (3.50598e-07% change) large trace change predicted (1.51451e-06%) linmin: converged after 11 iterations. iteration 545: trace = 2.485866084388703 (1.51431e-06% change) linmin: converged after 29 iterations. iteration 546: trace = 2.485866075186559 (3.70179e-07% change) large trace change predicted (8.77737e-07%) linmin: converged after 4 iterations. iteration 547: trace = 2.485866053368421 (8.77688e-07% change) linmin: converged after 6 iterations. iteration 548: trace = 2.485866031826706 (8.66568e-07% change) linmin: converged after 4 iterations. iteration 549: trace = 2.485866010483658 (8.58576e-07% change) linmin: converged after 3 iterations. iteration 550: trace = 2.485866005734243 (1.91057e-07% change) large trace change predicted (9.3547e-07%) linmin: converged after 21 iterations. iteration 551: trace = 2.485865982479988 (9.35459e-07% change) linmin: converged after 3 iterations. iteration 552: trace = 2.485865964358965 (7.28962e-07% change) linmin: converged after 11 iterations. iteration 553: trace = 2.485865958564203 (2.33108e-07% change) large trace change predicted (5.43682e-07%) linmin: converged after 3 iterations. iteration 554: trace = 2.485865945048811 (5.43689e-07% change) linmin: converged after 6 iterations. iteration 555: trace = 2.485865926177687 (7.59137e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.485865921908739 (1.71729e-07% change) large trace change predicted (3.74282e-07%) linmin: converged after 4 iterations. iteration 557: trace = 2.485865912604631 (3.7428e-07% change) linmin: converged after 7 iterations. iteration 558: trace = 2.485865898763034 (5.56812e-07% change) linmin: converged after 2 iterations. iteration 559: trace = 2.485865890594146 (3.28613e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.485865883198732 (2.97498e-07% change) linmin: converged after 18 iterations. iteration 561: trace = 2.485865871369293 (4.75868e-07% change) linmin: converged after 4 iterations. iteration 562: trace = 2.485865863708871 (3.08159e-07% change) linmin: converged after 2 iterations. iteration 563: trace = 2.485865860684591 (1.21659e-07% change) large trace change predicted (6.55238e-07%) linmin: converged after 14 iterations. iteration 564: trace = 2.485865844397677 (6.55181e-07% change) linmin: converged after 26 iterations. iteration 565: trace = 2.485865835896939 (3.41963e-07% change) linmin: converged after 5 iterations. iteration 566: trace = 2.485865828655967 (2.91286e-07% change) linmin: converged after 3 iterations. iteration 567: trace = 2.485865815810901 (5.16724e-07% change) linmin: converged after 3 iterations. iteration 568: trace = 2.485865807771368 (3.2341e-07% change) linmin: converged after 5 iterations. iteration 569: trace = 2.485865795146291 (5.07874e-07% change) linmin: converged after 2 iterations. iteration 570: trace = 2.485865781367603 (5.54281e-07% change) linmin: converged after 20 iterations. iteration 571: trace = 2.485865772803337 (3.44518e-07% change) linmin: converged after 3 iterations. iteration 572: trace = 2.485865764162654 (3.47592e-07% change) linmin: converged after 4 iterations. iteration 573: trace = 2.485865747759466 (6.59858e-07% change) linmin: converged after 4 iterations. iteration 574: trace = 2.485865742153827 (2.255e-07% change) large trace change predicted (6.79819e-07%) linmin: converged after 3 iterations. iteration 575: trace = 2.485865725253269 (6.79866e-07% change) linmin: converged after 3 iterations. iteration 576: trace = 2.485865711751071 (5.43159e-07% change) linmin: converged after 3 iterations. iteration 577: trace = 2.485865708891211 (1.15045e-07% change) large trace change predicted (3.69306e-07%) linmin: converged after 3 iterations. iteration 578: trace = 2.485865699710651 (3.6931e-07% change) linmin: converged after 11 iterations. iteration 579: trace = 2.485865691388251 (3.34789e-07% change) linmin: converged after 7 iterations. iteration 580: trace = 2.485865683910438 (3.00813e-07% change) linmin: converged after 12 iterations. iteration 581: trace = 2.48586567938243 (1.8215e-07% change) large trace change predicted (4.60106e-07%) linmin: converged after 3 iterations. iteration 582: trace = 2.485865667945014 (4.60098e-07% change) linmin: converged after 3 iterations. iteration 583: trace = 2.485865662952972 (2.00817e-07% change) linmin: converged after 4 iterations. iteration 584: trace = 2.485865656701815 (2.51468e-07% change) large trace change predicted (5.37333e-07%) linmin: converged after 4 iterations. iteration 585: trace = 2.485865643345008 (5.3731e-07% change) linmin: converged after 4 iterations. iteration 586: trace = 2.485865640616766 (1.0975e-07% change) large trace change predicted (4.63027e-07%) linmin: converged after 3 iterations. iteration 587: trace = 2.48586562910696 (4.6301e-07% change) linmin: converged after 7 iterations. iteration 588: trace = 2.485865620579228 (3.43049e-07% change) linmin: converged after 4 iterations. iteration 589: trace = 2.485865610866434 (3.90721e-07% change) linmin: converged after 11 iterations. iteration 590: trace = 2.485865608049879 (1.13303e-07% change) large trace change predicted (4.24282e-07%) linmin: converged after 20 iterations. iteration 591: trace = 2.485865597503016 (4.24273e-07% change) linmin: converged after 14 iterations. iteration 592: trace = 2.485865593504626 (1.60845e-07% change) linmin: converged after 14 iterations. iteration 593: trace = 2.485865587123043 (2.56715e-07% change) linmin: converged after 5 iterations. iteration 594: trace = 2.485865576458851 (4.28993e-07% change) linmin: converged after 4 iterations. iteration 595: trace = 2.485865572939455 (1.41576e-07% change) linmin: converged after 4 iterations. iteration 596: trace = 2.48586556675149 (2.48926e-07% change) linmin: converged after 4 iterations. iteration 597: trace = 2.485865560634619 (2.46066e-07% change) linmin: converged after 19 iterations. iteration 598: trace = 2.485865559082415 (6.24412e-08% change) large trace change predicted (2.19717e-07%) linmin: converged after 3 iterations. iteration 599: trace = 2.485865553620635 (2.19713e-07% change) linmin: converged after 3 iterations. iteration 600: trace = 2.485865549531818 (1.64483e-07% change) linmin: converged after 6 iterations. iteration 601: trace = 2.485865547203728 (9.36531e-08% change) large trace change predicted (2.17335e-07%) linmin: converged after 4 iterations. iteration 602: trace = 2.485865541801099 (2.17334e-07% change) linmin: converged after 3 iterations. iteration 603: trace = 2.485865536131561 (2.28071e-07% change) linmin: converged after 9 iterations. iteration 604: trace = 2.485865532492405 (1.46394e-07% change) large trace change predicted (3.47301e-07%) linmin: converged after 8 iterations. iteration 605: trace = 2.485865523859311 (3.47287e-07% change) linmin: converged after 6 iterations. iteration 606: trace = 2.485865519053076 (1.93343e-07% change) linmin: converged after 8 iterations. iteration 607: trace = 2.485865516999705 (8.26018e-08% change) large trace change predicted (3.24611e-07%) linmin: converged after 4 iterations. iteration 608: trace = 2.485865508930416 (3.24607e-07% change) linmin: converged after 3 iterations. iteration 609: trace = 2.485865503966822 (1.99673e-07% change) linmin: converged after 4 iterations. iteration 610: trace = 2.485865498832388 (2.06545e-07% change) linmin: converged after 4 iterations. iteration 611: trace = 2.485865491854048 (2.80721e-07% change) linmin: converged after 14 iterations. iteration 612: trace = 2.485865482931558 (3.58929e-07% change) linmin: converged after 10 iterations. iteration 613: trace = 2.485865481365619 (6.29937e-08% change) large trace change predicted (2.19712e-07%) linmin: converged after 4 iterations. iteration 614: trace = 2.485865475903803 (2.19715e-07% change) linmin: converged after 4 iterations. iteration 615: trace = 2.485865472071529 (1.54163e-07% change) linmin: converged after 6 iterations. iteration 616: trace = 2.485865471161913 (3.65915e-08% change) large trace change predicted (9.4761e-08%) linmin: converged after 6 iterations. iteration 617: trace = 2.485865468806269 (9.47615e-08% change) linmin: converged after 2 iterations. iteration 618: trace = 2.485865465853961 (1.18764e-07% change) linmin: converged after 27 iterations. iteration 619: trace = 2.485865464892822 (3.86642e-08% change) large trace change predicted (1.09374e-07%) linmin: converged after 2 iterations. iteration 620: trace = 2.485865462173916 (1.09375e-07% change) linmin: converged after 5 iterations. iteration 621: trace = 2.485865459243237 (1.17894e-07% change) linmin: converged after 4 iterations. iteration 622: trace = 2.485865458284646 (3.85617e-08% change) large trace change predicted (1.13672e-07%) linmin: converged after 4 iterations. iteration 623: trace = 2.485865455458881 (1.13673e-07% change) linmin: converged after 12 iterations. iteration 624: trace = 2.485865450855711 (1.85174e-07% change) linmin: converged after 28 iterations. iteration 625: trace = 2.485865449820198 (4.1656e-08% change) large trace change predicted (1.97861e-07%) linmin: converged after 8 iterations. iteration 626: trace = 2.485865444901576 (1.97864e-07% change) linmin: converged after 4 iterations. iteration 627: trace = 2.485865442227376 (1.07576e-07% change) linmin: converged after 3 iterations. iteration 628: trace = 2.48586544082506 (5.64116e-08% change) large trace change predicted (1.3045e-07%) linmin: converged after 4 iterations. iteration 629: trace = 2.485865437582248 (1.3045e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.48586543541829 (8.70505e-08% change) linmin: converged after 6 iterations. iteration 631: trace = 2.485865433787513 (6.5602e-08% change) linmin: converged after 6 iterations. iteration 632: trace = 2.485865430826964 (1.19095e-07% change) linmin: converged after 3 iterations. iteration 633: trace = 2.485865427173128 (1.46984e-07% change) linmin: converged after 22 iterations. iteration 634: trace = 2.485865425780974 (5.60028e-08% change) large trace change predicted (1.63076e-07%) linmin: converged after 12 iterations. iteration 635: trace = 2.485865421727208 (1.63073e-07% change) linmin: converged after 5 iterations. iteration 636: trace = 2.485865420716171 (4.06714e-08% change) linmin: converged after 8 iterations. iteration 637: trace = 2.485865418741218 (7.94473e-08% change) linmin: converged after 4 iterations. iteration 638: trace = 2.485865416308797 (9.78501e-08% change) linmin: converged after 4 iterations. iteration 639: trace = 2.485865415586216 (2.90676e-08% change) large trace change predicted (7.8939e-08%) linmin: converged after 3 iterations. iteration 640: trace = 2.485865413623912 (7.89385e-08% change) linmin: converged after 4 iterations. iteration 641: trace = 2.485865411064103 (1.02975e-07% change) linmin: converged after 3 iterations. iteration 642: trace = 2.485865409666585 (5.62186e-08% change) linmin: converged after 3 iterations. iteration 643: trace = 2.485865408621831 (4.20278e-08% change) large trace change predicted (1.1032e-07%) linmin: converged after 6 iterations. iteration 644: trace = 2.485865405879441 (1.10319e-07% change) linmin: converged after 4 iterations. iteration 645: trace = 2.485865404359473 (6.11444e-08% change) large trace change predicted (1.35969e-07%) linmin: converged after 7 iterations. iteration 646: trace = 2.485865400979491 (1.35968e-07% change) linmin: converged after 17 iterations. iteration 647: trace = 2.48586539529247 (2.28774e-07% change) linmin: converged after 29 iterations. iteration 648: trace = 2.485865393324314 (7.91739e-08% change) linmin: converged after 4 iterations. iteration 649: trace = 2.485865389599396 (1.49844e-07% change) linmin: converged after 4 iterations. iteration 650: trace = 2.48586538469004 (1.97491e-07% change) linmin: converged after 4 iterations. iteration 651: trace = 2.485865383643857 (4.20853e-08% change) large trace change predicted (1.66559e-07%) linmin: converged after 4 iterations. iteration 652: trace = 2.485865379503407 (1.6656e-07% change) linmin: converged after 3 iterations. iteration 653: trace = 2.485865377013683 (1.00155e-07% change) linmin: converged after 5 iterations. iteration 654: trace = 2.485865375630695 (5.5634e-08% change) large trace change predicted (1.67618e-07%) linmin: converged after 3 iterations. iteration 655: trace = 2.485865371463805 (1.67623e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.485865368074782 (1.36332e-07% change) linmin: converged after 4 iterations. iteration 657: trace = 2.485865366747093 (5.34095e-08% change) large trace change predicted (1.17999e-07%) linmin: converged after 3 iterations. iteration 658: trace = 2.485865363813772 (1.18e-07% change) linmin: converged after 4 iterations. iteration 659: trace = 2.485865361439716 (9.55022e-08% change) linmin: converged after 2 iterations. iteration 660: trace = 2.485865359244011 (8.83276e-08% change) linmin: converged after 12 iterations. iteration 661: trace = 2.485865358233724 (4.06413e-08% change) large trace change predicted (1.01237e-07%) linmin: converged after 3 iterations. iteration 662: trace = 2.485865355717102 (1.01237e-07% change) linmin: converged after 4 iterations. iteration 663: trace = 2.48586535300271 (1.09193e-07% change) linmin: converged after 4 iterations. iteration 664: trace = 2.485865351824437 (4.73989e-08% change) large trace change predicted (1.50156e-07%) linmin: converged after 2 iterations. iteration 665: trace = 2.485865348091738 (1.50157e-07% change) linmin: converged after 4 iterations. iteration 666: trace = 2.485865345448826 (1.06318e-07% change) linmin: converged after 11 iterations. iteration 667: trace = 2.485865343746249 (6.84903e-08% change) large trace change predicted (1.49826e-07%) linmin: converged after 4 iterations. iteration 668: trace = 2.485865340021753 (1.49827e-07% change) linmin: converged after 7 iterations. iteration 669: trace = 2.485865339024858 (4.01025e-08% change) large trace change predicted (1.21677e-07%) linmin: converged after 22 iterations. iteration 670: trace = 2.485865336000082 (1.21679e-07% change) linmin: converged after 6 iterations. iteration 671: trace = 2.485865333249115 (1.10664e-07% change) linmin: converged after 3 iterations. iteration 672: trace = 2.485865331497596 (7.04591e-08% change) linmin: converged after 2 iterations. iteration 673: trace = 2.485865328692755 (1.12832e-07% change) linmin: converged after 17 iterations. iteration 674: trace = 2.485865324656489 (1.62369e-07% change) linmin: converged after 7 iterations. iteration 675: trace = 2.485865323681069 (3.92387e-08% change) large trace change predicted (1.06218e-07%) linmin: converged after 4 iterations. iteration 676: trace = 2.48586532104061 (1.06219e-07% change) linmin: converged after 4 iterations. iteration 677: trace = 2.485865318047731 (1.20396e-07% change) linmin: converged after 4 iterations. iteration 678: trace = 2.485865317355628 (2.78415e-08% change) large trace change predicted (1.01426e-07%) linmin: converged after 2 iterations. iteration 679: trace = 2.485865314834305 (1.01426e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.485865312919978 (7.70085e-08% change) linmin: converged after 6 iterations. iteration 681: trace = 2.485865312027291 (3.59105e-08% change) linmin: converged after 4 iterations. iteration 682: trace = 2.485865310276112 (7.04454e-08% change) linmin: converged after 19 iterations. iteration 683: trace = 2.485865307493994 (1.11917e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.485865306098545 (5.61353e-08% change) large trace change predicted (1.32098e-07%) linmin: converged after 4 iterations. iteration 685: trace = 2.485865302814865 (1.32094e-07% change) linmin: converged after 13 iterations. iteration 686: trace = 2.485865300026325 (1.12176e-07% change) linmin: converged after 3 iterations. iteration 687: trace = 2.485865299163148 (3.47234e-08% change) large trace change predicted (1.03175e-07%) linmin: converged after 4 iterations. iteration 688: trace = 2.485865296598393 (1.03174e-07% change) linmin: converged after 3 iterations. iteration 689: trace = 2.485865294306469 (9.21982e-08% change) linmin: converged after 5 iterations. iteration 690: trace = 2.485865293381978 (3.71899e-08% change) large trace change predicted (9.65726e-08%) linmin: converged after 13 iterations. iteration 691: trace = 2.485865290981323 (9.65722e-08% change) linmin: converged after 3 iterations. iteration 692: trace = 2.485865289201401 (7.16017e-08% change) linmin: converged after 3 iterations. iteration 693: trace = 2.485865288198151 (4.03582e-08% change) linmin: converged after 4 iterations. iteration 694: trace = 2.485865286439175 (7.07591e-08% change) linmin: converged after 8 iterations. iteration 695: trace = 2.485865283907873 (1.01828e-07% change) linmin: converged after 16 iterations. iteration 696: trace = 2.485865283583839 (1.3035e-08% change) large trace change predicted (5.9495e-08%) linmin: converged after 4 iterations. iteration 697: trace = 2.485865282104879 (5.94948e-08% change) linmin: converged after 4 iterations. iteration 698: trace = 2.485865280604293 (6.03648e-08% change) large trace change predicted (1.33776e-07%) linmin: converged after 4 iterations. iteration 699: trace = 2.485865277278877 (1.33773e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.485865274452708 (1.1369e-07% change) linmin: converged after 4 iterations. iteration 701: trace = 2.485865273109587 (5.40303e-08% change) linmin: converged after 2 iterations. iteration 702: trace = 2.485865272512046 (2.40375e-08% change) linmin: converged after 4 iterations. iteration 703: trace = 2.485865271690666 (3.3042e-08% change) linmin: converged after 4 iterations. iteration 704: trace = 2.48586527009937 (6.40137e-08% change) linmin: converged after 6 iterations. iteration 705: trace = 2.485865269650481 (1.80577e-08% change) large trace change predicted (6.21585e-08%) linmin: converged after 7 iterations. iteration 706: trace = 2.485865268105322 (6.21578e-08% change) linmin: converged after 4 iterations. iteration 707: trace = 2.485865266427404 (6.74984e-08% change) linmin: converged after 2 iterations. iteration 708: trace = 2.485865265636122 (3.18312e-08% change) linmin: converged after 16 iterations. iteration 709: trace = 2.485865264471996 (4.68298e-08% change) linmin: converged after 4 iterations. iteration 710: trace = 2.48586526278609 (6.78197e-08% change) linmin: converged after 4 iterations. iteration 711: trace = 2.485865262330762 (1.83167e-08% change) large trace change predicted (7.09122e-08%) linmin: converged after 7 iterations. iteration 712: trace = 2.48586526056796 (7.0913e-08% change) linmin: converged after 4 iterations. iteration 713: trace = 2.485865259129184 (5.78783e-08% change) linmin: converged after 5 iterations. iteration 714: trace = 2.485865258609236 (2.09162e-08% change) large trace change predicted (8.90484e-08%) linmin: converged after 5 iterations. iteration 715: trace = 2.485865256395566 (8.90503e-08% change) linmin: converged after 5 iterations. iteration 716: trace = 2.485865254644665 (7.04342e-08% change) linmin: converged after 18 iterations. iteration 717: trace = 2.485865254231463 (1.66221e-08% change) large trace change predicted (3.49756e-08%) linmin: converged after 6 iterations. iteration 718: trace = 2.485865253362014 (3.49757e-08% change) linmin: converged after 3 iterations. iteration 719: trace = 2.485865252400799 (3.86672e-08% change) linmin: converged after 4 iterations. iteration 720: trace = 2.485865252134373 (1.07176e-08% change) large trace change predicted (4.68321e-08%) linmin: converged after 4 iterations. iteration 721: trace = 2.485865250970197 (4.68319e-08% change) linmin: converged after 4 iterations. iteration 722: trace = 2.485865249725378 (5.00759e-08% change) linmin: converged after 6 iterations. iteration 723: trace = 2.485865249303344 (1.69774e-08% change) large trace change predicted (4.16707e-08%) linmin: converged after 4 iterations. iteration 724: trace = 2.485865248267469 (4.16706e-08% change) linmin: converged after 4 iterations. iteration 725: trace = 2.485865246820299 (5.82159e-08% change) linmin: converged after 4 iterations. iteration 726: trace = 2.48586524644703 (1.50157e-08% change) large trace change predicted (4.78694e-08%) linmin: converged after 9 iterations. iteration 727: trace = 2.485865245257072 (4.78689e-08% change) linmin: converged after 5 iterations. iteration 728: trace = 2.485865244055209 (4.83479e-08% change) linmin: converged after 24 iterations. iteration 729: trace = 2.485865243396975 (2.64791e-08% change) linmin: converged after 4 iterations. iteration 730: trace = 2.485865242756343 (2.5771e-08% change) linmin: converged after 8 iterations. iteration 731: trace = 2.485865241644774 (4.47156e-08% change) linmin: converged after 2 iterations. iteration 732: trace = 2.485865241069395 (2.3146e-08% change) linmin: converged after 4 iterations. iteration 733: trace = 2.485865240248724 (3.30135e-08% change) linmin: converged after 7 iterations. iteration 734: trace = 2.485865239042962 (4.85047e-08% change) linmin: converged after 4 iterations. iteration 735: trace = 2.48586523848481 (2.2453e-08% change) linmin: converged after 3 iterations. iteration 736: trace = 2.485865238100206 (1.54716e-08% change) large trace change predicted (3.4548e-08%) linmin: converged after 3 iterations. iteration 737: trace = 2.485865237241395 (3.45478e-08% change) linmin: converged after 20 iterations. iteration 738: trace = 2.485865236900455 (1.37152e-08% change) linmin: converged after 3 iterations. iteration 739: trace = 2.485865236454114 (1.79552e-08% change) linmin: converged after 4 iterations. iteration 740: trace = 2.485865235980166 (1.90657e-08% change) linmin: converged after 4 iterations. iteration 741: trace = 2.485865235703937 (1.1112e-08% change) large trace change predicted (2.86331e-08%) linmin: converged after 3 iterations. iteration 742: trace = 2.485865234992159 (2.8633e-08% change) linmin: converged after 4 iterations. iteration 743: trace = 2.485865233985277 (4.05043e-08% change) linmin: converged after 3 iterations. iteration 744: trace = 2.485865233754162 (9.29717e-09% change) large trace change predicted (3.0813e-08%) linmin: converged after 7 iterations. iteration 745: trace = 2.485865232988195 (3.08129e-08% change) linmin: converged after 2 iterations. iteration 746: trace = 2.48586523222742 (3.06041e-08% change) linmin: converged after 4 iterations. iteration 747: trace = 2.485865231670393 (2.24078e-08% change) linmin: converged after 2 iterations. iteration 748: trace = 2.485865231406732 (1.06064e-08% change) large trace change predicted (3.46596e-08%) linmin: converged after 16 iterations. iteration 749: trace = 2.485865230545142 (3.46596e-08% change) linmin: converged after 24 iterations. iteration 750: trace = 2.485865229954649 (2.3754e-08% change) linmin: converged after 3 iterations. iteration 751: trace = 2.485865229421019 (2.14666e-08% change) linmin: converged after 4 iterations. iteration 752: trace = 2.485865228599152 (3.30616e-08% change) linmin: converged after 3 iterations. iteration 753: trace = 2.48586522777317 (3.32271e-08% change) linmin: converged after 2 iterations. iteration 754: trace = 2.485865227627385 (5.86455e-09% change) large trace change predicted (2.5362e-08%) linmin: converged after 3 iterations. iteration 755: trace = 2.485865226996919 (2.5362e-08% change) linmin: converged after 4 iterations. iteration 756: trace = 2.485865226777721 (8.81777e-09% change) linmin: converged after 4 iterations. iteration 757: trace = 2.485865226608296 (6.81555e-09% change) linmin: converged after 2 iterations. iteration 758: trace = 2.4858652262888 (1.28525e-08% change) linmin: converged after 3 iterations. iteration 759: trace = 2.485865226040943 (9.97065e-09% change) linmin: converged after 36 iterations. iteration 760: trace = 2.485865225811314 (9.23738e-09% change) linmin: converged after 7 iterations. iteration 761: trace = 2.485865225440171 (1.49302e-08% change) linmin: converged after 4 iterations. iteration 762: trace = 2.485865225288361 (6.10691e-09% change) linmin: converged after 8 iterations. iteration 763: trace = 2.485865225055666 (9.36071e-09% change) large trace change predicted (2.08393e-08%) linmin: converged after 3 iterations. iteration 764: trace = 2.485865224537629 (2.08393e-08% change) linmin: converged after 4 iterations. iteration 765: trace = 2.485865224428886 (4.37444e-09% change) large trace change predicted (2.18974e-08%) linmin: converged after 2 iterations. iteration 766: trace = 2.485865223884546 (2.18974e-08% change) linmin: converged after 4 iterations. iteration 767: trace = 2.485865223528712 (1.43143e-08% change) linmin: converged after 19 iterations. iteration 768: trace = 2.485865223237374 (1.17197e-08% change) linmin: converged after 3 iterations. iteration 769: trace = 2.485865223118294 (4.79028e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 770: trace = 2.485865223011 (4.31619e-09% change) large trace change predicted (9.04054e-09%) linmin: converged after 3 iterations. iteration 771: trace = 2.485865222786265 (9.04051e-09% change) linmin: converged after 3 iterations. iteration 772: trace = 2.485865222399922 (1.55416e-08% change) linmin: converged after 20 iterations. iteration 773: trace = 2.485865222186273 (8.59454e-09% change) linmin: converged after 6 iterations. iteration 774: trace = 2.485865221898463 (1.15779e-08% change) linmin: converged after 5 iterations. iteration 775: trace = 2.48586522146721 (1.73482e-08% change) linmin: converged after 3 iterations. iteration 776: trace = 2.485865221322491 (5.82165e-09% change) linmin: converged after 4 iterations. iteration 777: trace = 2.485865221071898 (1.00807e-08% change) linmin: converged after 14 iterations. iteration 778: trace = 2.485865220836317 (9.4768e-09% change) linmin: converged after 4 iterations. iteration 779: trace = 2.485865220740158 (3.86823e-09% change) large trace change predicted (1.14534e-08%) linmin: converged after 4 iterations. iteration 780: trace = 2.485865220455443 (1.14534e-08% change) linmin: converged after 3 iterations. iteration 781: trace = 2.485865220145579 (1.2465e-08% change) linmin: converged after 5 iterations. iteration 782: trace = 2.485865220056235 (3.5941e-09% change) large trace change predicted (7.83068e-09%) linmin: converged after 21 iterations. iteration 783: trace = 2.485865219861578 (7.83052e-09% change) linmin: converged after 3 iterations. iteration 784: trace = 2.485865219507575 (1.42406e-08% change) linmin: converged after 4 iterations. iteration 785: trace = 2.485865219385597 (4.90688e-09% change) large trace change predicted (2.33241e-08%) linmin: converged after 6 iterations. iteration 786: trace = 2.485865218805796 (2.33239e-08% change) linmin: converged after 14 iterations. iteration 787: trace = 2.48586521851486 (1.17036e-08% change) linmin: converged after 8 iterations. iteration 788: trace = 2.485865218115399 (1.60693e-08% change) linmin: converged after 5 iterations. iteration 789: trace = 2.485865217583654 (2.13907e-08% change) linmin: converged after 6 iterations. iteration 790: trace = 2.485865217173871 (1.64845e-08% change) linmin: converged after 3 iterations. iteration 791: trace = 2.485865216926728 (9.94194e-09% change) linmin: converged after 3 iterations. iteration 792: trace = 2.485865216527604 (1.60557e-08% change) linmin: converged after 4 iterations. iteration 793: trace = 2.48586521613341 (1.58574e-08% change) linmin: converged after 19 iterations. iteration 794: trace = 2.485865216008527 (5.02371e-09% change) large trace change predicted (2.05309e-08%) linmin: converged after 28 iterations. iteration 795: trace = 2.485865215498157 (2.05309e-08% change) linmin: converged after 3 iterations. iteration 796: trace = 2.485865215057126 (1.77415e-08% change) linmin: converged after 4 iterations. iteration 797: trace = 2.485865214868046 (7.60624e-09% change) linmin: converged after 18 iterations. iteration 798: trace = 2.485865214627248 (9.68667e-09% change) linmin: converged after 3 iterations. iteration 799: trace = 2.48586521436607 (1.05065e-08% change) linmin: converged after 5 iterations. iteration 800: trace = 2.485865214260306 (4.25463e-09% change) large trace change predicted (9.64774e-09%) linmin: converged after 5 iterations. iteration 801: trace = 2.485865214020475 (9.6478e-09% change) linmin: converged after 8 iterations. iteration 802: trace = 2.485865213660384 (1.44855e-08% change) linmin: converged after 18 iterations. iteration 803: trace = 2.485865213293775 (1.47477e-08% change) linmin: converged after 3 iterations. iteration 804: trace = 2.485865213147058 (5.90203e-09% change) large trace change predicted (1.40192e-08%) linmin: converged after 27 iterations. iteration 805: trace = 2.485865212798556 (1.40194e-08% change) linmin: converged after 23 iterations. iteration 806: trace = 2.485865212446051 (1.41803e-08% change) linmin: converged after 4 iterations. iteration 807: trace = 2.48586521225953 (7.50328e-09% change) large trace change predicted (1.82494e-08%) linmin: converged after 12 iterations. iteration 808: trace = 2.485865211805874 (1.82494e-08% change) linmin: converged after 19 iterations. iteration 809: trace = 2.48586521154175 (1.0625e-08% change) linmin: converged after 24 iterations. iteration 810: trace = 2.485865211390417 (6.08773e-09% change) large trace change predicted (1.64098e-08%) linmin: converged after 5 iterations. iteration 811: trace = 2.48586521098249 (1.64099e-08% change) linmin: converged after 4 iterations. iteration 812: trace = 2.485865210631671 (1.41126e-08% change) linmin: converged after 4 iterations. iteration 813: trace = 2.485865210438951 (7.75262e-09% change) large trace change predicted (1.78519e-08%) linmin: converged after 16 iterations. iteration 814: trace = 2.485865209995174 (1.7852e-08% change) linmin: converged after 4 iterations. iteration 815: trace = 2.485865209712896 (1.13553e-08% change) linmin: converged after 4 iterations. iteration 816: trace = 2.485865209574998 (5.54729e-09% change) large trace change predicted (1.42357e-08%) linmin: converged after 6 iterations. iteration 817: trace = 2.485865209221114 (1.42358e-08% change) linmin: converged after 2 iterations. iteration 818: trace = 2.485865208981652 (9.63294e-09% change) linmin: converged after 5 iterations. iteration 819: trace = 2.485865208898662 (3.3385e-09% change) large trace change predicted (1.07403e-08%) linmin: converged after 4 iterations. iteration 820: trace = 2.485865208631673 (1.07403e-08% change) linmin: converged after 7 iterations. iteration 821: trace = 2.485865208468182 (6.57682e-09% change) linmin: converged after 24 iterations. iteration 822: trace = 2.485865208357853 (4.43824e-09% change) large trace change predicted (1.4529e-08%) linmin: converged after 6 iterations. iteration 823: trace = 2.485865207996689 (1.45287e-08% change) linmin: converged after 4 iterations. iteration 824: trace = 2.485865207478519 (2.08446e-08% change) linmin: converged after 14 iterations. iteration 825: trace = 2.485865207342512 (5.47122e-09% change) linmin: converged after 12 iterations. iteration 826: trace = 2.485865207111771 (9.28211e-09% change) linmin: converged after 6 iterations. iteration 827: trace = 2.485865206773928 (1.35906e-08% change) linmin: converged after 28 iterations. iteration 828: trace = 2.485865206645257 (5.1761e-09% change) linmin: converged after 4 iterations. iteration 829: trace = 2.48586520642048 (9.04221e-09% change) linmin: converged after 4 iterations. iteration 830: trace = 2.485865206093515 (1.3153e-08% change) linmin: converged after 9 iterations. iteration 831: trace = 2.485865205921032 (6.93856e-09% change) linmin: converged after 12 iterations. iteration 832: trace = 2.485865205810471 (4.44756e-09% change) large trace change predicted (1.16417e-08%) linmin: converged after 3 iterations. iteration 833: trace = 2.485865205521074 (1.16417e-08% change) linmin: converged after 18 iterations. iteration 834: trace = 2.485865205456227 (2.60864e-09% change) large trace change predicted (9.12047e-09%) linmin: converged after 6 iterations. iteration 835: trace = 2.485865205229504 (9.12049e-09% change) linmin: converged after 12 iterations. iteration 836: trace = 2.485865205086512 (5.75221e-09% change) linmin: converged after 15 iterations. iteration 837: trace = 2.485865205035641 (2.0464e-09% change) large trace change predicted (7.69715e-09%) linmin: converged after 4 iterations. iteration 838: trace = 2.485865204844301 (7.69713e-09% change) large trace change predicted (3.31943e-08%) linmin: converged after 8 iterations. iteration 839: trace = 2.485865204019138 (3.31942e-08% change) resetting CG direction... linmin: converged after 25 iterations. iteration 840: trace = 2.485865203667318 (1.41529e-08% change) linmin: converged after 2 iterations. iteration 841: trace = 2.485865203254224 (1.66177e-08% change) linmin: converged after 26 iterations. iteration 842: trace = 2.485865203122991 (5.27918e-09% change) linmin: converged after 12 iterations. iteration 843: trace = 2.485865203082156 (1.64267e-09% change) large trace change predicted (4.71965e-09%) linmin: converged after 3 iterations. iteration 844: trace = 2.485865202964833 (4.71961e-09% change) linmin: converged after 19 iterations. iteration 845: trace = 2.485865202835416 (5.20615e-09% change) linmin: converged after 4 iterations. iteration 846: trace = 2.485865202757523 (3.13341e-09% change) large trace change predicted (8.64022e-09%) linmin: converged after 4 iterations. iteration 847: trace = 2.485865202542741 (8.64015e-09% change) linmin: converged after 8 iterations. iteration 848: trace = 2.485865202467049 (3.04489e-09% change) linmin: converged after 4 iterations. iteration 849: trace = 2.485865202324093 (5.75073e-09% change) linmin: converged after 4 iterations. iteration 850: trace = 2.485865202136429 (7.54926e-09% change) linmin: converged after 4 iterations. iteration 851: trace = 2.485865202063151 (2.9478e-09% change) linmin: converged after 4 iterations. iteration 852: trace = 2.485865201916832 (5.88602e-09% change) linmin: converged after 36 iterations. iteration 853: trace = 2.485865201719041 (7.95661e-09% change) linmin: converged after 3 iterations. iteration 854: trace = 2.48586520160303 (4.66685e-09% change) linmin: converged after 4 iterations. iteration 855: trace = 2.485865201522344 (3.2458e-09% change) large trace change predicted (9.49741e-09%) linmin: converged after 4 iterations. iteration 856: trace = 2.485865201286249 (9.4975e-09% change) linmin: converged after 25 iterations. iteration 857: trace = 2.485865201174299 (4.50346e-09% change) linmin: converged after 10 iterations. iteration 858: trace = 2.48586520109472 (3.20124e-09% change) linmin: converged after 19 iterations. iteration 859: trace = 2.485865200981267 (4.56392e-09% change) linmin: converged after 4 iterations. iteration 860: trace = 2.485865200916747 (2.59549e-09% change) linmin: converged after 5 iterations. iteration 861: trace = 2.485865200849259 (2.71484e-09% change) linmin: converged after 15 iterations. iteration 862: trace = 2.485865200718574 (5.25715e-09% change) linmin: converged after 3 iterations. iteration 863: trace = 2.485865200638832 (3.2078e-09% change) linmin: converged after 4 iterations. iteration 864: trace = 2.485865200558919 (3.21471e-09% change) linmin: converged after 4 iterations. iteration 865: trace = 2.485865200411697 (5.92234e-09% change) linmin: converged after 4 iterations. iteration 866: trace = 2.48586520028927 (4.92496e-09% change) linmin: converged after 25 iterations. iteration 867: trace = 2.485865200240234 (1.97257e-09% change) large trace change predicted (7.01101e-09%) linmin: converged after 13 iterations. iteration 868: trace = 2.485865200065955 (7.01079e-09% change) linmin: converged after 4 iterations. iteration 869: trace = 2.485865199934836 (5.27459e-09% change) linmin: converged after 16 iterations. iteration 870: trace = 2.485865199890833 (1.77015e-09% change) linmin: converged after 4 iterations. iteration 871: trace = 2.485865199814926 (3.05354e-09% change) linmin: converged after 21 iterations. iteration 872: trace = 2.485865199681697 (5.35944e-09% change) linmin: converged after 4 iterations. iteration 873: trace = 2.485865199636535 (1.81676e-09% change) large trace change predicted (4.18242e-09%) linmin: converged after 4 iterations. iteration 874: trace = 2.485865199532565 (4.18245e-09% change) linmin: converged after 5 iterations. iteration 875: trace = 2.485865199443655 (3.57663e-09% change) linmin: converged after 10 iterations. iteration 876: trace = 2.485865199402514 (1.65499e-09% change) large trace change predicted (3.5557e-09%) linmin: converged after 3 iterations. iteration 877: trace = 2.485865199314126 (3.55562e-09% change) linmin: converged after 3 iterations. iteration 878: trace = 2.485865199229332 (3.41104e-09% change) linmin: converged after 21 iterations. iteration 879: trace = 2.485865199200734 (1.15044e-09% change) linmin: converged after 9 iterations. iteration 880: trace = 2.485865199156711 (1.77092e-09% change) linmin: converged after 16 iterations. iteration 881: trace = 2.48586519909115 (2.63736e-09% change) linmin: converged after 5 iterations. iteration 882: trace = 2.48586519906895 (8.9305e-10% change) large trace change predicted (3.83822e-09%) linmin: converged after 3 iterations. iteration 883: trace = 2.48586519897354 (3.83808e-09% change) linmin: converged after 4 iterations. iteration 884: trace = 2.485865198901119 (2.91332e-09% change) linmin: converged after 3 iterations. iteration 885: trace = 2.485865198861212 (1.60535e-09% change) large trace change predicted (3.68247e-09%) linmin: converged after 6 iterations. iteration 886: trace = 2.485865198769671 (3.68246e-09% change) linmin: converged after 4 iterations. iteration 887: trace = 2.485865198706022 (2.56044e-09% change) linmin: converged after 2 iterations. iteration 888: trace = 2.485865198656273 (2.00128e-09% change) linmin: converged after 2 iterations. iteration 889: trace = 2.485865198614059 (1.69817e-09% change) large trace change predicted (3.805e-09%) linmin: converged after 7 iterations. iteration 890: trace = 2.485865198519475 (3.80487e-09% change) linmin: converged after 6 iterations. iteration 891: trace = 2.485865198489881 (1.19051e-09% change) large trace change predicted (3.10238e-09%) linmin: converged after 21 iterations. iteration 892: trace = 2.48586519841276 (3.10236e-09% change) linmin: converged after 4 iterations. iteration 893: trace = 2.485865198303793 (4.38345e-09% change) linmin: converged after 12 iterations. iteration 894: trace = 2.485865198269464 (1.381e-09% change) large trace change predicted (2.81361e-09%) linmin: converged after 8 iterations. iteration 895: trace = 2.485865198199524 (2.81349e-09% change) linmin: converged after 2 iterations. iteration 896: trace = 2.485865198136266 (2.5447e-09% change) linmin: converged after 8 iterations. iteration 897: trace = 2.485865198118605 (7.10474e-10% change) linmin: converged after 4 iterations. iteration 898: trace = 2.485865198095173 (9.42588e-10% change) linmin: converged after 2 iterations. iteration 899: trace = 2.485865198049976 (1.81818e-09% change) linmin: converged after 4 iterations. iteration 900: trace = 2.485865198011751 (1.53768e-09% change) linmin: converged after 4 iterations. iteration 901: trace = 2.485865197997444 (5.75525e-10% change) large trace change predicted (1.29855e-09%) linmin: converged after 6 iterations. iteration 902: trace = 2.485865197965164 (1.29854e-09% change) linmin: converged after 4 iterations. iteration 903: trace = 2.485865197929426 (1.43765e-09% change) linmin: converged after 5 iterations. iteration 904: trace = 2.485865197915947 (5.42226e-10% change) large trace change predicted (2.17089e-09%) linmin: converged after 3 iterations. iteration 905: trace = 2.485865197861982 (2.17087e-09% change) linmin: converged after 3 iterations. iteration 906: trace = 2.485865197821792 (1.61676e-09% change) linmin: converged after 4 iterations. iteration 907: trace = 2.485865197805183 (6.68135e-10% change) large trace change predicted (1.59801e-09%) linmin: converged after 2 iterations. iteration 908: trace = 2.485865197765459 (1.598e-09% change) linmin: converged after 6 iterations. iteration 909: trace = 2.485865197749646 (6.36086e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.485865197740856 (3.53611e-10% change) large trace change predicted (1.7187e-09%) linmin: converged after 10 iterations. iteration 911: trace = 2.485865197698129 (1.71879e-09% change) linmin: converged after 9 iterations. iteration 912: trace = 2.48586519768293 (6.11415e-10% change) large trace change predicted (1.2979e-09%) linmin: converged after 6 iterations. iteration 913: trace = 2.485865197650669 (1.29781e-09% change) linmin: converged after 6 iterations. iteration 914: trace = 2.485865197605567 (1.81433e-09% change) linmin: converged after 4 iterations. iteration 915: trace = 2.485865197587486 (7.27356e-10% change) linmin: converged after 6 iterations. iteration 916: trace = 2.485865197563741 (9.55201e-10% change) linmin: converged after 9 iterations. iteration 917: trace = 2.48586519753317 (1.22978e-09% change) linmin: converged after 12 iterations. iteration 918: trace = 2.485865197523846 (3.75102e-10% change) large trace change predicted (1.24119e-09%) linmin: converged after 3 iterations. iteration 919: trace = 2.485865197492994 (1.24109e-09% change) linmin: converged after 4 iterations. iteration 920: trace = 2.485865197465914 (1.08936e-09% change) linmin: converged after 13 iterations. iteration 921: trace = 2.48586519745559 (4.15316e-10% change) large trace change predicted (1.615e-09%) linmin: converged after 12 iterations. iteration 922: trace = 2.48586519741544 (1.6151e-09% change) linmin: converged after 8 iterations. iteration 923: trace = 2.485865197376865 (1.55181e-09% change) linmin: converged after 2 iterations. iteration 924: trace = 2.485865197352932 (9.62758e-10% change) linmin: converged after 3 iterations. iteration 925: trace = 2.485865197324163 (1.1573e-09% change) large trace change predicted (2.85902e-09%) linmin: converged after 4 iterations. iteration 926: trace = 2.48586519725309 (2.85906e-09% change) linmin: converged after 5 iterations. iteration 927: trace = 2.48586519721596 (1.49364e-09% change) linmin: converged after 2 iterations. iteration 928: trace = 2.485865197160825 (2.21798e-09% change) linmin: converged after 10 iterations. iteration 929: trace = 2.48586519711066 (2.01798e-09% change) linmin: converged after 10 iterations. iteration 930: trace = 2.485865197080857 (1.19893e-09% change) linmin: converged after 4 iterations. iteration 931: trace = 2.485865197051823 (1.16793e-09% change) linmin: converged after 6 iterations. iteration 932: trace = 2.485865197001735 (2.01491e-09% change) linmin: converged after 2 iterations. iteration 933: trace = 2.485865196989136 (5.06854e-10% change) large trace change predicted (1.47688e-09%) linmin: converged after 2 iterations. iteration 934: trace = 2.485865196952425 (1.47679e-09% change) linmin: converged after 4 iterations. iteration 935: trace = 2.485865196902827 (1.99517e-09% change) linmin: converged after 7 iterations. iteration 936: trace = 2.485865196851753 (2.05459e-09% change) linmin: converged after 8 iterations. iteration 937: trace = 2.48586519684065 (4.4665e-10% change) large trace change predicted (1.59611e-09%) linmin: converged after 5 iterations. iteration 938: trace = 2.485865196800973 (1.59611e-09% change) linmin: converged after 6 iterations. iteration 939: trace = 2.485865196776445 (9.86678e-10% change) linmin: converged after 4 iterations. iteration 940: trace = 2.485865196763301 (5.28756e-10% change) large trace change predicted (1.395e-09%) linmin: converged after 21 iterations. iteration 941: trace = 2.485865196728622 (1.39504e-09% change) linmin: converged after 5 iterations. iteration 942: trace = 2.485865196692836 (1.4396e-09% change) linmin: converged after 9 iterations. iteration 943: trace = 2.485865196678822 (5.63734e-10% change) large trace change predicted (1.92272e-09%) linmin: converged after 6 iterations. iteration 944: trace = 2.485865196631027 (1.92266e-09% change) linmin: converged after 3 iterations. iteration 945: trace = 2.48586519659087 (1.61544e-09% change) linmin: converged after 15 iterations. iteration 946: trace = 2.485865196573469 (7.00005e-10% change) linmin: converged after 5 iterations. iteration 947: trace = 2.485865196541856 (1.27171e-09% change) linmin: converged after 4 iterations. iteration 948: trace = 2.485865196492666 (1.97879e-09% change) linmin: converged after 5 iterations. iteration 949: trace = 2.485865196483128 (3.8366e-10% change) large trace change predicted (2.18476e-09%) linmin: converged after 15 iterations. iteration 950: trace = 2.485865196428817 (2.18482e-09% change) linmin: converged after 11 iterations. iteration 951: trace = 2.485865196387631 (1.65678e-09% change) linmin: converged after 19 iterations. iteration 952: trace = 2.485865196357544 (1.21036e-09% change) linmin: converged after 16 iterations. iteration 953: trace = 2.485865196334749 (9.16971e-10% change) large trace change predicted (2.17164e-09%) linmin: converged after 22 iterations. iteration 954: trace = 2.485865196280763 (2.17172e-09% change) linmin: converged after 13 iterations. iteration 955: trace = 2.485865196250781 (1.20607e-09% change) linmin: converged after 18 iterations. iteration 956: trace = 2.485865196239367 (4.59173e-10% change) large trace change predicted (1.57246e-09%) linmin: converged after 22 iterations. iteration 957: trace = 2.485865196200279 (1.5724e-09% change) linmin: converged after 15 iterations. iteration 958: trace = 2.485865196180975 (7.76537e-10% change) linmin: converged after 5 iterations. iteration 959: trace = 2.485865196166794 (5.70487e-10% change) large trace change predicted (1.32415e-09%) linmin: converged after 5 iterations. iteration 960: trace = 2.48586519613388 (1.32403e-09% change) linmin: converged after 10 iterations. iteration 961: trace = 2.485865196123907 (4.01203e-10% change) large trace change predicted (1.03782e-09%) linmin: converged after 9 iterations. iteration 962: trace = 2.485865196098107 (1.03786e-09% change) linmin: converged after 4 iterations. iteration 963: trace = 2.485865196065699 (1.3037e-09% change) linmin: converged after 4 iterations. iteration 964: trace = 2.485865196026463 (1.57834e-09% change) linmin: converged after 4 iterations. iteration 965: trace = 2.485865196003387 (9.28297e-10% change) linmin: converged after 10 iterations. iteration 966: trace = 2.485865195962528 (1.64367e-09% change) linmin: converged after 18 iterations. iteration 967: trace = 2.48586519593037 (1.29363e-09% change) linmin: converged after 16 iterations. iteration 968: trace = 2.485865195908953 (8.61537e-10% change) linmin: converged after 13 iterations. iteration 969: trace = 2.485865195894268 (5.90746e-10% change) large trace change predicted (1.52047e-09%) linmin: converged after 11 iterations. iteration 970: trace = 2.485865195856473 (1.5204e-09% change) linmin: converged after 11 iterations. iteration 971: trace = 2.485865195837264 (7.7275e-10% change) linmin: converged after 3 iterations. iteration 972: trace = 2.485865195826727 (4.23855e-10% change) large trace change predicted (1.22732e-09%) linmin: converged after 27 iterations. iteration 973: trace = 2.485865195796214 (1.22746e-09% change) linmin: converged after 10 iterations. iteration 974: trace = 2.485865195786945 (3.72869e-10% change) large trace change predicted (8.918e-10%) linmin: converged after 24 iterations. iteration 975: trace = 2.485865195764775 (8.91835e-10% change) linmin: converged after 9 iterations. iteration 976: trace = 2.485865195744029 (8.34561e-10% change) linmin: converged after 16 iterations. iteration 977: trace = 2.485865195735534 (3.41749e-10% change) large trace change predicted (1.63922e-09%) linmin: converged after 2 iterations. iteration 978: trace = 2.485865195694783 (1.63931e-09% change) large trace change predicted (8.61993e-09%) linmin: converged after 3 iterations. iteration 979: trace = 2.485865195480502 (8.62e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.485865195380866 (4.0081e-09% change) linmin: converged after 3 iterations. iteration 981: trace = 2.485865195310908 (2.81422e-09% change) linmin: converged after 4 iterations. iteration 982: trace = 2.485865195298332 (5.05889e-10% change) linmin: converged after 4 iterations. iteration 983: trace = 2.485865195284529 (5.55285e-10% change) linmin: converged after 6 iterations. iteration 984: trace = 2.485865195271472 (5.25218e-10% change) linmin: converged after 14 iterations. iteration 985: trace = 2.485865195264631 (2.75222e-10% change) linmin: converged after 6 iterations. iteration 986: trace = 2.485865195255348 (3.73405e-10% change) linmin: converged after 7 iterations. iteration 987: trace = 2.485865195237387 (7.22533e-10% change) linmin: converged after 3 iterations. iteration 988: trace = 2.485865195233441 (1.58727e-10% change) large trace change predicted (5.35532e-10%) linmin: converged after 15 iterations. iteration 989: trace = 2.485865195220129 (5.35526e-10% change) linmin: converged after 15 iterations. iteration 990: trace = 2.485865195207084 (5.24754e-10% change) linmin: converged after 10 iterations. iteration 991: trace = 2.485865195202752 (1.74269e-10% change) large trace change predicted (6.40452e-10%) linmin: converged after 15 iterations. iteration 992: trace = 2.485865195186831 (6.40463e-10% change) linmin: converged after 15 iterations. iteration 993: trace = 2.485865195173564 (5.33722e-10% change) linmin: converged after 6 iterations. iteration 994: trace = 2.485865195164523 (3.63687e-10% change) linmin: converged after 10 iterations. iteration 995: trace = 2.485865195155359 (3.68635e-10% change) linmin: converged after 22 iterations. iteration 996: trace = 2.485865195137432 (7.21139e-10% change) linmin: converged after 10 iterations. iteration 997: trace = 2.485865195133312 (1.65765e-10% change) large trace change predicted (5.98067e-10%) linmin: converged after 21 iterations. iteration 998: trace = 2.485865195118446 (5.97999e-10% change) linmin: converged after 12 iterations. iteration 999: trace = 2.485865195107226 (4.51348e-10% change) linmin: converged after 3 iterations. iteration 1000: trace = 2.485865195103003 (1.69892e-10% change) large trace change predicted (3.59476e-10%) linmin: converged after 16 iterations. iteration 1001: trace = 2.485865195094067 (3.59489e-10% change) linmin: converged after 3 iterations. iteration 1002: trace = 2.485865195084453 (3.86714e-10% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.485865195079111 (2.14911e-10% change) linmin: converged after 5 iterations. iteration 1004: trace = 2.485865195070572 (3.435e-10% change) linmin: converged after 4 iterations. iteration 1005: trace = 2.485865195059299 (4.53474e-10% change) linmin: converged after 4 iterations. iteration 1006: trace = 2.485865195048942 (4.16638e-10% change) linmin: converged after 9 iterations. iteration 1007: trace = 2.48586519504509 (1.54975e-10% change) large trace change predicted (5.72838e-10%) linmin: converged after 4 iterations. iteration 1008: trace = 2.485865195030848 (5.72899e-10% change) linmin: converged after 3 iterations. iteration 1009: trace = 2.485865195025054 (2.33097e-10% change) linmin: converged after 5 iterations. iteration 1010: trace = 2.485865195018233 (2.744e-10% change) linmin: converged after 8 iterations. iteration 1011: trace = 2.485865195008758 (3.81141e-10% change) linmin: converged after 4 iterations. iteration 1012: trace = 2.485865194997796 (4.40987e-10% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.485865194994954 (1.14333e-10% change) large trace change predicted (4.19174e-10%) linmin: converged after 7 iterations. iteration 1014: trace = 2.485865194984537 (4.19049e-10% change) linmin: converged after 6 iterations. iteration 1015: trace = 2.485865194977043 (3.01429e-10% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.485865194971785 (2.11534e-10% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.485865194964899 (2.77008e-10% change) linmin: converged after 4 iterations. iteration 1018: trace = 2.485865194956525 (3.36854e-10% change) linmin: converged after 6 iterations. iteration 1019: trace = 2.485865194954441 (8.38206e-11% change) Finished solving for bands 1 to 10 after 1019 iterations. tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894 elapsed time for k point: 16.498380422592163 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. iteration 1: trace = 2.624860657444398 (2.69642% change) linmin: converged after 4 iterations. iteration 2: trace = 2.610953324994328 (0.531239% change) linmin: converged after 4 iterations. iteration 3: trace = 2.601889621169397 (0.347745% change) linmin: converged after 4 iterations. iteration 4: trace = 2.600356646247478 (0.0589351% change) large trace change predicted (0.133101%) linmin: converged after 4 iterations. iteration 5: trace = 2.596948849867374 (0.131137% change) linmin: converged after 4 iterations. iteration 6: trace = 2.596372064805613 (0.0222126% change) linmin: converged after 3 iterations. iteration 7: trace = 2.595542927897237 (0.0319395% change) linmin: converged after 4 iterations. iteration 8: trace = 2.595152374510337 (0.0150482% change) linmin: converged after 4 iterations. iteration 9: trace = 2.594847404885622 (0.0117522% change) linmin: converged after 4 iterations. iteration 10: trace = 2.594454447741832 (0.0151449% change) linmin: converged after 4 iterations. iteration 11: trace = 2.594326308669367 (0.00493908% change) large trace change predicted (0.0216469%) linmin: converged after 4 iterations. iteration 12: trace = 2.593777335123011 (0.0211628% change) linmin: converged after 4 iterations. iteration 13: trace = 2.593512013071509 (0.0102297% change) linmin: converged after 4 iterations. iteration 14: trace = 2.593177865792837 (0.0128848% change) linmin: converged after 4 iterations. iteration 15: trace = 2.592759591436514 (0.0161311% change) linmin: converged after 4 iterations. iteration 16: trace = 2.592616495656834 (0.00551921% change) large trace change predicted (0.023475%) linmin: converged after 8 iterations. iteration 17: trace = 2.592031022028394 (0.0225849% change) linmin: converged after 4 iterations. iteration 18: trace = 2.59183881548556 (0.00741556% change) linmin: converged after 4 iterations. iteration 19: trace = 2.591510395488983 (0.0126721% change) linmin: converged after 5 iterations. iteration 20: trace = 2.591143472008585 (0.0141597% change) linmin: converged after 4 iterations. iteration 21: trace = 2.591058362290834 (0.00328469% change) large trace change predicted (0.0106647%) linmin: converged after 4 iterations. iteration 22: trace = 2.590787445825455 (0.0104564% change) linmin: converged after 4 iterations. iteration 23: trace = 2.590682179684191 (0.00406318% change) linmin: converged after 4 iterations. iteration 24: trace = 2.590536674665397 (0.00561663% change) linmin: converged after 4 iterations. iteration 25: trace = 2.590316049918632 (0.00851693% change) linmin: converged after 4 iterations. iteration 26: trace = 2.590262712828229 (0.00205912% change) large trace change predicted (0.00488962%) linmin: converged after 4 iterations. iteration 27: trace = 2.590136056658688 (0.00488982% change) linmin: converged after 3 iterations. iteration 28: trace = 2.590064081920008 (0.00277884% change) linmin: converged after 3 iterations. iteration 29: trace = 2.589966977982653 (0.00374916% change) linmin: converged after 3 iterations. iteration 30: trace = 2.589846952045266 (0.00463437% change) linmin: converged after 3 iterations. iteration 31: trace = 2.589779713799327 (0.00259626% change) linmin: converged after 3 iterations. iteration 32: trace = 2.589656148768881 (0.00477137% change) linmin: converged after 3 iterations. iteration 33: trace = 2.589592222492429 (0.00246855% change) large trace change predicted (0.00587392%) linmin: converged after 3 iterations. iteration 34: trace = 2.58943868885607 (0.00592905% change) linmin: converged after 3 iterations. iteration 35: trace = 2.589299359937044 (0.00538081% change) linmin: converged after 3 iterations. iteration 36: trace = 2.589151546670612 (0.00570878% change) linmin: converged after 4 iterations. iteration 37: trace = 2.588877287495618 (0.0105932% change) linmin: converged after 3 iterations. iteration 38: trace = 2.588758826838513 (0.00457586% change) large trace change predicted (0.0103829%) linmin: converged after 3 iterations. iteration 39: trace = 2.588487137598281 (0.0104955% change) linmin: converged after 3 iterations. iteration 40: trace = 2.588238477463922 (0.00960685% change) linmin: converged after 3 iterations. iteration 41: trace = 2.588129337514486 (0.00421685% change) large trace change predicted (0.00966144%) linmin: converged after 3 iterations. iteration 42: trace = 2.587877763590856 (0.00972077% change) linmin: converged after 3 iterations. iteration 43: trace = 2.587755089809354 (0.00474044% change) linmin: converged after 3 iterations. iteration 44: trace = 2.587559763088374 (0.0075484% change) linmin: converged after 3 iterations. iteration 45: trace = 2.587201412270447 (0.0138499% change) linmin: converged after 3 iterations. iteration 46: trace = 2.587078625716444 (0.00474603% change) large trace change predicted (0.0134465%) linmin: converged after 3 iterations. iteration 47: trace = 2.586730779580112 (0.0134464% change) linmin: converged after 3 iterations. iteration 48: trace = 2.586416677216178 (0.0121436% change) linmin: converged after 4 iterations. iteration 49: trace = 2.586172564541082 (0.0094387% change) linmin: converged after 4 iterations. iteration 50: trace = 2.585801897293217 (0.0143337% change) linmin: converged after 3 iterations. iteration 51: trace = 2.585704546876046 (0.00376488% change) large trace change predicted (0.00796064%) linmin: converged after 4 iterations. iteration 52: trace = 2.585499754810095 (0.00792048% change) linmin: converged after 4 iterations. iteration 53: trace = 2.585309102943152 (0.00737416% change) linmin: converged after 4 iterations. iteration 54: trace = 2.585225653328603 (0.00322789% change) large trace change predicted (0.00857994%) linmin: converged after 4 iterations. iteration 55: trace = 2.58500537722372 (0.00852094% change) linmin: converged after 4 iterations. iteration 56: trace = 2.584916458740381 (0.00343984% change) linmin: converged after 4 iterations. iteration 57: trace = 2.584748111302744 (0.0065129% change) linmin: converged after 4 iterations. iteration 58: trace = 2.584504284515206 (0.00943374% change) linmin: converged after 4 iterations. iteration 59: trace = 2.584418705703339 (0.00331128% change) large trace change predicted (0.00842828%) linmin: converged after 4 iterations. iteration 60: trace = 2.584201815731018 (0.00839257% change) linmin: converged after 4 iterations. iteration 61: trace = 2.584099141053601 (0.00397325% change) linmin: converged after 3 iterations. iteration 62: trace = 2.583934358439061 (0.00637699% change) linmin: converged after 4 iterations. iteration 63: trace = 2.583709117768531 (0.00871735% change) linmin: converged after 4 iterations. iteration 64: trace = 2.583615279669869 (0.00363198% change) large trace change predicted (0.00904956%) linmin: converged after 4 iterations. iteration 65: trace = 2.583383030980548 (0.00898969% change) linmin: converged after 4 iterations. iteration 66: trace = 2.583261867954656 (0.0046902% change) linmin: converged after 4 iterations. iteration 67: trace = 2.583112554586477 (0.0057802% change) linmin: converged after 4 iterations. iteration 68: trace = 2.582958454725462 (0.00596584% change) linmin: converged after 6 iterations. iteration 69: trace = 2.582869898246245 (0.00342855% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.582791283889869 (0.00304373% change) linmin: converged after 5 iterations. iteration 71: trace = 2.582689744209822 (0.00393147% change) linmin: converged after 3 iterations. iteration 72: trace = 2.582487344019194 (0.00783711% change) linmin: converged after 4 iterations. iteration 73: trace = 2.582430457572128 (0.0022028% change) large trace change predicted (0.00655094%) linmin: converged after 3 iterations. iteration 74: trace = 2.582260887881654 (0.0065665% change) linmin: converged after 3 iterations. iteration 75: trace = 2.582142980085108 (0.00456617% change) linmin: converged after 3 iterations. iteration 76: trace = 2.582089125320038 (0.00208568% change) linmin: converged after 3 iterations. iteration 77: trace = 2.58198944932938 (0.00386036% change) linmin: converged after 3 iterations. iteration 78: trace = 2.58194945116086 (0.00154913% change) linmin: converged after 3 iterations. iteration 79: trace = 2.581896477308379 (0.00205172% change) linmin: converged after 3 iterations. iteration 80: trace = 2.581814650966695 (0.00316928% change) linmin: converged after 4 iterations. iteration 81: trace = 2.581795133875173 (0.000755948% change) large trace change predicted (0.00246214%) linmin: converged after 3 iterations. iteration 82: trace = 2.581731398762597 (0.00246867% change) linmin: converged after 3 iterations. iteration 83: trace = 2.58167987346304 (0.00199579% change) linmin: converged after 3 iterations. iteration 84: trace = 2.581660431325718 (0.000753084% change) large trace change predicted (0.0022678%) linmin: converged after 3 iterations. iteration 85: trace = 2.581601750028335 (0.00227303% change) linmin: converged after 3 iterations. iteration 86: trace = 2.581512409884697 (0.00346071% change) linmin: converged after 3 iterations. iteration 87: trace = 2.581471275825583 (0.00159342% change) large trace change predicted (0.00460164%) linmin: converged after 3 iterations. iteration 88: trace = 2.581352182994358 (0.00461348% change) linmin: converged after 3 iterations. iteration 89: trace = 2.581296892688224 (0.00214194% change) linmin: converged after 3 iterations. iteration 90: trace = 2.581194672433724 (0.00396011% change) linmin: converged after 3 iterations. iteration 91: trace = 2.581064534121345 (0.00504191% change) linmin: converged after 4 iterations. iteration 92: trace = 2.58103879067474 (0.000997401% change) large trace change predicted (0.00403908%) linmin: converged after 16 iterations. iteration 93: trace = 2.580934670132716 (0.00403414% change) linmin: converged after 5 iterations. iteration 94: trace = 2.580892543647282 (0.00163223% change) linmin: converged after 4 iterations. iteration 95: trace = 2.580844807207762 (0.00184963% change) linmin: converged after 4 iterations. iteration 96: trace = 2.580750264376087 (0.00366332% change) linmin: converged after 3 iterations. iteration 97: trace = 2.580717916046825 (0.00125345% change) large trace change predicted (0.00303787%) linmin: converged after 6 iterations. iteration 98: trace = 2.58063969606942 (0.00303098% change) linmin: converged after 4 iterations. iteration 99: trace = 2.580586921966533 (0.00204502% change) linmin: converged after 4 iterations. iteration 100: trace = 2.580568719281255 (0.000705372% change) large trace change predicted (0.00145523%) linmin: converged after 4 iterations. iteration 101: trace = 2.580531234955007 (0.00145257% change) linmin: converged after 20 iterations. iteration 102: trace = 2.580515873601728 (0.00059528% change) linmin: converged after 4 iterations. iteration 103: trace = 2.580499665390553 (0.000628102% change) linmin: converged after 7 iterations. iteration 104: trace = 2.5804738941213 (0.000998698% change) linmin: converged after 3 iterations. iteration 105: trace = 2.580463088660485 (0.00041874% change) large trace change predicted (0.00115897%) linmin: converged after 4 iterations. iteration 106: trace = 2.580433222769202 (0.00115739% change) linmin: converged after 6 iterations. iteration 107: trace = 2.580404878630592 (0.00109843% change) linmin: converged after 3 iterations. iteration 108: trace = 2.580391255549352 (0.000527945% change) large trace change predicted (0.00162418%) linmin: converged after 5 iterations. iteration 109: trace = 2.580349416150665 (0.00162145% change) linmin: converged after 6 iterations. iteration 110: trace = 2.580298851149196 (0.00195964% change) linmin: converged after 4 iterations. iteration 111: trace = 2.580288563859734 (0.000398687% change) large trace change predicted (0.00143959%) linmin: converged after 5 iterations. iteration 112: trace = 2.580251458649525 (0.00143804% change) linmin: converged after 3 iterations. iteration 113: trace = 2.580236913294601 (0.00056372% change) linmin: converged after 4 iterations. iteration 114: trace = 2.58021013568223 (0.0010378% change) linmin: converged after 3 iterations. iteration 115: trace = 2.580157606216286 (0.00203588% change) linmin: converged after 4 iterations. iteration 116: trace = 2.580144732078875 (0.000498968% change) large trace change predicted (0.00229942%) linmin: converged after 3 iterations. iteration 117: trace = 2.580085343526398 (0.00230178% change) linmin: converged after 3 iterations. iteration 118: trace = 2.580043142878056 (0.00163564% change) linmin: converged after 3 iterations. iteration 119: trace = 2.580026198424646 (0.000656753% change) large trace change predicted (0.00241367%) linmin: converged after 3 iterations. iteration 120: trace = 2.579963831871476 (0.00241731% change) linmin: converged after 3 iterations. iteration 121: trace = 2.579916529139641 (0.00183348% change) linmin: converged after 3 iterations. iteration 122: trace = 2.579904068728688 (0.000482978% change) large trace change predicted (0.00145144%) linmin: converged after 3 iterations. iteration 123: trace = 2.579866580502305 (0.0014531% change) linmin: converged after 4 iterations. iteration 124: trace = 2.57984755203891 (0.000737578% change) linmin: converged after 3 iterations. iteration 125: trace = 2.57981631925165 (0.00121065% change) linmin: converged after 4 iterations. iteration 126: trace = 2.579774460755521 (0.00162255% change) linmin: converged after 3 iterations. iteration 127: trace = 2.579757160004375 (0.000670633% change) large trace change predicted (0.00192692%) linmin: converged after 3 iterations. iteration 128: trace = 2.579707451549806 (0.00192688% change) linmin: converged after 4 iterations. iteration 129: trace = 2.579655882173126 (0.00199906% change) linmin: converged after 5 iterations. iteration 130: trace = 2.579638097400106 (0.000689427% change) large trace change predicted (0.00175717%) linmin: converged after 4 iterations. iteration 131: trace = 2.579592848580715 (0.00175409% change) linmin: converged after 4 iterations. iteration 132: trace = 2.579574042794405 (0.000729024% change) linmin: converged after 3 iterations. iteration 133: trace = 2.579568060257632 (0.00023192% change) large trace change predicted (0.00172045%) linmin: converged after 3 iterations. iteration 134: trace = 2.579523651934156 (0.00172156% change) linmin: converged after 3 iterations. iteration 135: trace = 2.579512030876582 (0.000450513% change) linmin: converged after 3 iterations. iteration 136: trace = 2.579493212543738 (0.000729533% change) linmin: converged after 3 iterations. iteration 137: trace = 2.579467290316428 (0.00100494% change) linmin: converged after 4 iterations. iteration 138: trace = 2.57945943003668 (0.000304725% change) large trace change predicted (0.00115311%) linmin: converged after 4 iterations. iteration 139: trace = 2.57942970403997 (0.00115242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.57941531781194 (0.000557731% change) linmin: converged after 4 iterations. iteration 141: trace = 2.579409085611241 (0.000241613% change) large trace change predicted (0.000491984%) linmin: converged after 7 iterations. iteration 142: trace = 2.57939639909439 (0.000491839% change) linmin: converged after 8 iterations. iteration 143: trace = 2.579388279752569 (0.000314777% change) linmin: converged after 3 iterations. iteration 144: trace = 2.579378552243709 (0.000377125% change) linmin: converged after 6 iterations. iteration 145: trace = 2.579359280246058 (0.000747159% change) linmin: converged after 3 iterations. iteration 146: trace = 2.579354515401984 (0.00018473% change) large trace change predicted (0.000506411%) linmin: converged after 8 iterations. iteration 147: trace = 2.579341463515056 (0.000506015% change) linmin: converged after 3 iterations. iteration 148: trace = 2.579328541119657 (0.000500997% change) linmin: converged after 4 iterations. iteration 149: trace = 2.57932162514439 (0.000268131% change) large trace change predicted (0.000612082%) linmin: converged after 3 iterations. iteration 150: trace = 2.579305838842733 (0.000612035% change) linmin: converged after 4 iterations. iteration 151: trace = 2.579296842491273 (0.00034879% change) linmin: converged after 3 iterations. iteration 152: trace = 2.579281595299001 (0.000591139% change) linmin: converged after 3 iterations. iteration 153: trace = 2.579262706042798 (0.000732348% change) linmin: converged after 4 iterations. iteration 154: trace = 2.579256466669243 (0.000241906% change) linmin: converged after 3 iterations. iteration 155: trace = 2.579244843842047 (0.000450628% change) linmin: converged after 3 iterations. iteration 156: trace = 2.579229499928375 (0.000594901% change) linmin: converged after 3 iterations. iteration 157: trace = 2.579225833301723 (0.00014216% change) large trace change predicted (0.000598052%) linmin: converged after 3 iterations. iteration 158: trace = 2.579210415829566 (0.000597758% change) linmin: converged after 3 iterations. iteration 159: trace = 2.579202872192492 (0.000292479% change) linmin: converged after 4 iterations. iteration 160: trace = 2.579194300329114 (0.000332346% change) linmin: converged after 3 iterations. iteration 161: trace = 2.579183234090278 (0.000429059% change) linmin: converged after 4 iterations. iteration 162: trace = 2.579177076317421 (0.000238749% change) linmin: converged after 6 iterations. iteration 163: trace = 2.579166583113692 (0.000406844% change) linmin: converged after 4 iterations. iteration 164: trace = 2.579150734762379 (0.000614478% change) linmin: converged after 3 iterations. iteration 165: trace = 2.579146892212581 (0.000148985% change) linmin: converged after 4 iterations. iteration 166: trace = 2.57913979939759 (0.000275007% change) linmin: converged after 4 iterations. iteration 167: trace = 2.579132919663073 (0.000266746% change) linmin: converged after 3 iterations. iteration 168: trace = 2.579130516362208 (9.31826e-05% change) large trace change predicted (0.000322816%) linmin: converged after 4 iterations. iteration 169: trace = 2.579122187050981 (0.000322951% change) linmin: converged after 3 iterations. iteration 170: trace = 2.579118803416007 (0.000131193% change) linmin: converged after 5 iterations. iteration 171: trace = 2.579114488093516 (0.000167318% change) linmin: converged after 3 iterations. iteration 172: trace = 2.579109064924683 (0.000210273% change) linmin: converged after 3 iterations. iteration 173: trace = 2.579106377122808 (0.000104214% change) linmin: converged after 10 iterations. iteration 174: trace = 2.579102879185829 (0.000135626% change) linmin: converged after 3 iterations. iteration 175: trace = 2.579097659114828 (0.000202399% change) linmin: converged after 3 iterations. iteration 176: trace = 2.579096401364937 (4.87671e-05% change) large trace change predicted (0.000221842%) linmin: converged after 3 iterations. iteration 177: trace = 2.579090674800652 (0.000222038% change) linmin: converged after 5 iterations. iteration 178: trace = 2.57908711058793 (0.000138197% change) linmin: converged after 4 iterations. iteration 179: trace = 2.579085264975734 (7.15607e-05% change) large trace change predicted (0.0002399%) linmin: converged after 3 iterations. iteration 180: trace = 2.579079074886856 (0.000240011% change) linmin: converged after 4 iterations. iteration 181: trace = 2.579076160976077 (0.000112983% change) linmin: converged after 3 iterations. iteration 182: trace = 2.579070757367755 (0.000209517% change) linmin: converged after 5 iterations. iteration 183: trace = 2.579062133148039 (0.000334393% change) linmin: converged after 3 iterations. iteration 184: trace = 2.579059574506094 (9.92083e-05% change) large trace change predicted (0.000233903%) linmin: converged after 3 iterations. iteration 185: trace = 2.579053541116616 (0.000233938% change) linmin: converged after 3 iterations. iteration 186: trace = 2.579045849975904 (0.000298216% change) linmin: converged after 4 iterations. iteration 187: trace = 2.579042501920684 (0.000129818% change) large trace change predicted (0.000302901%) linmin: converged after 5 iterations. iteration 188: trace = 2.579034692894698 (0.000302788% change) linmin: converged after 6 iterations. iteration 189: trace = 2.57903160921061 (0.000119567% change) linmin: converged after 4 iterations. iteration 190: trace = 2.579028621117473 (0.000115861% change) linmin: converged after 4 iterations. iteration 191: trace = 2.579022655294933 (0.000231321% change) linmin: converged after 13 iterations. iteration 192: trace = 2.579020981637274 (6.48951e-05% change) large trace change predicted (0.000179232%) linmin: converged after 18 iterations. iteration 193: trace = 2.579016363199398 (0.000179077% change) linmin: converged after 4 iterations. iteration 194: trace = 2.579010486487007 (0.000227867% change) linmin: converged after 3 iterations. iteration 195: trace = 2.579008983950309 (5.82602e-05% change) large trace change predicted (0.000143654%) linmin: converged after 14 iterations. iteration 196: trace = 2.57900528157252 (0.000143558% change) linmin: converged after 4 iterations. iteration 197: trace = 2.579001661777413 (0.000140356% change) linmin: converged after 5 iterations. iteration 198: trace = 2.579000216716951 (5.60318e-05% change) large trace change predicted (0.000143719%) linmin: converged after 12 iterations. iteration 199: trace = 2.578996512510935 (0.00014363% change) linmin: converged after 8 iterations. iteration 200: trace = 2.578994965206936 (5.99964e-05% change) large trace change predicted (0.000123383%) linmin: converged after 4 iterations. iteration 201: trace = 2.578991784702916 (0.000123323% change) linmin: converged after 3 iterations. iteration 202: trace = 2.578988673799553 (0.000120625% change) linmin: converged after 4 iterations. iteration 203: trace = 2.578987041775699 (6.32816e-05% change) linmin: converged after 3 iterations. iteration 204: trace = 2.578984245324334 (0.000108432% change) linmin: converged after 4 iterations. iteration 205: trace = 2.578979948552923 (0.000166607% change) linmin: converged after 4 iterations. iteration 206: trace = 2.578978759476258 (4.61065e-05% change) large trace change predicted (0.000159393%) linmin: converged after 4 iterations. iteration 207: trace = 2.578974647851428 (0.000159429% change) linmin: converged after 3 iterations. iteration 208: trace = 2.578972419690169 (8.63972e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.578970571015978 (7.16826e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.57896902314753 (6.00189e-05% change) linmin: converged after 2 iterations. iteration 211: trace = 2.578967699428833 (5.13275e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.578965531619185 (8.40573e-05% change) linmin: converged after 9 iterations. iteration 213: trace = 2.578964903233052 (2.43658e-05% change) large trace change predicted (8.68719e-05%) linmin: converged after 3 iterations. iteration 214: trace = 2.578962661795469 (8.69123e-05% change) linmin: converged after 4 iterations. iteration 215: trace = 2.578960794964922 (7.23869e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.578959973956169 (3.18349e-05% change) large trace change predicted (7.41753e-05%) linmin: converged after 3 iterations. iteration 217: trace = 2.57895806063757 (7.41896e-05% change) linmin: converged after 5 iterations. iteration 218: trace = 2.578956698729991 (5.28085e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.578955032234949 (6.4619e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.578953249304644 (6.91339e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.578952763190909 (1.88493e-05% change) large trace change predicted (5.94239e-05%) linmin: converged after 5 iterations. iteration 222: trace = 2.578951230285838 (5.94391e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.5789495749286 (6.41872e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.578948997883961 (2.23752e-05% change) large trace change predicted (7.62976e-05%) linmin: converged after 4 iterations. iteration 225: trace = 2.578947029685699 (7.63179e-05% change) linmin: converged after 4 iterations. iteration 226: trace = 2.578944779675347 (8.72453e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.578944139618348 (2.48186e-05% change) large trace change predicted (0.000104966%) linmin: converged after 4 iterations. iteration 228: trace = 2.57894143165448 (0.000105003% change) linmin: converged after 3 iterations. iteration 229: trace = 2.578940084552484 (5.22347e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.578938669210328 (5.48808e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.578936271851268 (9.29592e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.578935689729847 (2.25722e-05% change) large trace change predicted (8.28239e-05%) linmin: converged after 2 iterations. iteration 233: trace = 2.578933553755356 (8.28239e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.578932277588847 (4.94843e-05% change) linmin: converged after 5 iterations. iteration 235: trace = 2.578931558308749 (2.78906e-05% change) large trace change predicted (6.9119e-05%) linmin: converged after 3 iterations. iteration 236: trace = 2.578929775938617 (6.91128e-05% change) linmin: converged after 7 iterations. iteration 237: trace = 2.578927681915258 (8.11974e-05% change) linmin: converged after 2 iterations. iteration 238: trace = 2.578927307360245 (1.45237e-05% change) large trace change predicted (7.6634e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.578925332207012 (7.65882e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.578924470717827 (3.3405e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.578923849846243 (2.40748e-05% change) large trace change predicted (4.95985e-05%) linmin: converged after 3 iterations. iteration 242: trace = 2.57892257127596 (4.95777e-05% change) linmin: converged after 7 iterations. iteration 243: trace = 2.578922283815265 (1.11465e-05% change) large trace change predicted (3.21426e-05%) linmin: converged after 5 iterations. iteration 244: trace = 2.578921455034727 (3.21367e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.578920602831324 (3.3045e-05% change) linmin: converged after 2 iterations. iteration 246: trace = 2.578920339575498 (1.0208e-05% change) large trace change predicted (3.17353e-05%) linmin: converged after 5 iterations. iteration 247: trace = 2.578919521243326 (3.17316e-05% change) linmin: converged after 3 iterations. iteration 248: trace = 2.578918601641423 (3.56584e-05% change) linmin: converged after 2 iterations. iteration 249: trace = 2.578918151881921 (1.74399e-05% change) large trace change predicted (5.12963e-05%) linmin: converged after 3 iterations. iteration 250: trace = 2.578916829132448 (5.12909e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.578916299272354 (2.05458e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.57891562054581 (2.63183e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.578914731096893 (3.44893e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.578913679451401 (4.07786e-05% change) linmin: converged after 4 iterations. iteration 255: trace = 2.578913266686216 (1.60054e-05% change) large trace change predicted (5.40277e-05%) linmin: converged after 3 iterations. iteration 256: trace = 2.578911873026465 (5.40406e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.578911480189724 (1.52327e-05% change) large trace change predicted (3.39854e-05%) linmin: converged after 3 iterations. iteration 258: trace = 2.578910603653624 (3.39886e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.578909348090638 (4.86858e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.578909011721332 (1.30431e-05% change) large trace change predicted (6.38916e-05%) linmin: converged after 4 iterations. iteration 261: trace = 2.578907363961063 (6.38937e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.578906388890173 (3.78095e-05% change) linmin: converged after 4 iterations. iteration 263: trace = 2.578905971315756 (1.61919e-05% change) large trace change predicted (3.76844e-05%) linmin: converged after 4 iterations. iteration 264: trace = 2.578904999335657 (3.76896e-05% change) linmin: converged after 3 iterations. iteration 265: trace = 2.578904108376322 (3.4548e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.578903851990263 (9.94167e-06% change) large trace change predicted (4.4242e-05%) linmin: converged after 5 iterations. iteration 267: trace = 2.578902711252484 (4.42334e-05% change) linmin: converged after 4 iterations. iteration 268: trace = 2.578902248812526 (1.79317e-05% change) linmin: converged after 4 iterations. iteration 269: trace = 2.578901705804483 (2.10558e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.578900843404065 (3.34406e-05% change) linmin: converged after 7 iterations. iteration 271: trace = 2.578900645666602 (7.66751e-06% change) large trace change predicted (2.45719e-05%) linmin: converged after 8 iterations. iteration 272: trace = 2.578900011973643 (2.45722e-05% change) linmin: converged after 4 iterations. iteration 273: trace = 2.578899334407352 (2.62735e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.578899123706742 (8.17018e-06% change) large trace change predicted (2.61149e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.578898450209252 (2.61157e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.578898213822447 (9.16619e-06% change) linmin: converged after 14 iterations. iteration 277: trace = 2.578897848535566 (1.41645e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.578897259488174 (2.28411e-05% change) linmin: converged after 4 iterations. iteration 279: trace = 2.578896697811086 (2.17797e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.578896241973919 (1.76757e-05% change) linmin: converged after 4 iterations. iteration 281: trace = 2.578895843061092 (1.54684e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.578895612515214 (8.93971e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.57889544199031 (6.61232e-06% change) large trace change predicted (1.71937e-05%) linmin: converged after 4 iterations. iteration 284: trace = 2.578894998612311 (1.71926e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.57889486052752 (5.35442e-06% change) large trace change predicted (1.5317e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.57889446553857 (1.53162e-05% change) linmin: converged after 3 iterations. iteration 287: trace = 2.578894068100964 (1.54112e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.578893959325635 (4.21791e-06% change) large trace change predicted (1.5865e-05%) linmin: converged after 3 iterations. iteration 289: trace = 2.578893550266271 (1.58618e-05% change) linmin: converged after 4 iterations. iteration 290: trace = 2.578893308053489 (9.39212e-06% change) linmin: converged after 3 iterations. iteration 291: trace = 2.578893087859599 (8.53831e-06% change) linmin: converged after 3 iterations. iteration 292: trace = 2.578892655646249 (1.67596e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.578892511129264 (5.60384e-06% change) large trace change predicted (1.17002e-05%) linmin: converged after 4 iterations. iteration 294: trace = 2.578892209452875 (1.16979e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.578891800121638 (1.58724e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.57889160628186 (7.5164e-06% change) linmin: converged after 5 iterations. iteration 297: trace = 2.578891228850099 (1.46354e-05% change) linmin: converged after 13 iterations. iteration 298: trace = 2.578890717163789 (1.98413e-05% change) linmin: converged after 2 iterations. iteration 299: trace = 2.578890539719477 (6.88065e-06% change) linmin: converged after 4 iterations. iteration 300: trace = 2.578890290483081 (9.66448e-06% change) linmin: converged after 3 iterations. iteration 301: trace = 2.578889961525526 (1.27558e-05% change) linmin: converged after 4 iterations. iteration 302: trace = 2.578889887795748 (2.85897e-06% change) large trace change predicted (1.27063e-05%) linmin: converged after 3 iterations. iteration 303: trace = 2.578889560151664 (1.27049e-05% change) linmin: converged after 3 iterations. iteration 304: trace = 2.578889337352475 (8.63935e-06% change) linmin: converged after 2 iterations. iteration 305: trace = 2.578889244576347 (3.59752e-06% change) large trace change predicted (9.01151e-06%) linmin: converged after 4 iterations. iteration 306: trace = 2.578889012208811 (9.01037e-06% change) linmin: converged after 2 iterations. iteration 307: trace = 2.578888788603815 (8.67059e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.578888709944779 (3.05011e-06% change) large trace change predicted (1.0041e-05%) linmin: converged after 3 iterations. iteration 309: trace = 2.578888450987346 (1.00414e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.578888326266121 (4.83624e-06% change) linmin: converged after 2 iterations. iteration 311: trace = 2.578888201279482 (4.84653e-06% change) linmin: converged after 3 iterations. iteration 312: trace = 2.578888028533574 (6.69846e-06% change) linmin: converged after 4 iterations. iteration 313: trace = 2.578887961707215 (2.59129e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.57888784886548 (4.3756e-06% change) linmin: converged after 4 iterations. iteration 315: trace = 2.578887685046229 (6.35232e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.578887643012387 (1.62992e-06% change) large trace change predicted (6.51603e-06%) linmin: converged after 5 iterations. iteration 317: trace = 2.578887474954171 (6.51669e-06% change) linmin: converged after 4 iterations. iteration 318: trace = 2.578887311670011 (6.33157e-06% change) linmin: converged after 10 iterations. iteration 319: trace = 2.57888724960782 (2.40655e-06% change) large trace change predicted (1.01267e-05%) linmin: converged after 3 iterations. iteration 320: trace = 2.578886988427016 (1.01277e-05% change) linmin: converged after 3 iterations. iteration 321: trace = 2.578886935954951 (2.03468e-06% change) large trace change predicted (7.67331e-06%) linmin: converged after 3 iterations. iteration 322: trace = 2.578886738058058 (7.67373e-06% change) linmin: converged after 2 iterations. iteration 323: trace = 2.578886588366594 (5.8045e-06% change) linmin: converged after 3 iterations. iteration 324: trace = 2.578886529103038 (2.29803e-06% change) large trace change predicted (6.21405e-06%) linmin: converged after 5 iterations. iteration 325: trace = 2.578886368852701 (6.21394e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.578886158990578 (8.1377e-06% change) linmin: converged after 3 iterations. iteration 327: trace = 2.578886035712026 (4.7803e-06% change) linmin: converged after 4 iterations. iteration 328: trace = 2.578885939372719 (3.73569e-06% change) linmin: converged after 4 iterations. iteration 329: trace = 2.578885788817776 (5.83798e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.578885732387192 (2.18818e-06% change) large trace change predicted (6.23893e-06%) linmin: converged after 4 iterations. iteration 331: trace = 2.578885571515369 (6.23804e-06% change) linmin: converged after 3 iterations. iteration 332: trace = 2.578885448289417 (4.77826e-06% change) linmin: converged after 5 iterations. iteration 333: trace = 2.578885392876492 (2.14872e-06% change) large trace change predicted (5.54789e-06%) linmin: converged after 11 iterations. iteration 334: trace = 2.578885249821361 (5.54717e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.578885206103884 (1.69521e-06% change) linmin: converged after 4 iterations. iteration 336: trace = 2.578885136710719 (2.69082e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.578885050046726 (3.36052e-06% change) linmin: converged after 5 iterations. iteration 338: trace = 2.578884959998245 (3.49176e-06% change) linmin: converged after 7 iterations. iteration 339: trace = 2.578884938076271 (8.50056e-07% change) large trace change predicted (4.49268e-06%) linmin: converged after 5 iterations. iteration 340: trace = 2.57888482222907 (4.49214e-06% change) linmin: converged after 3 iterations. iteration 341: trace = 2.578884771013445 (1.98596e-06% change) linmin: converged after 8 iterations. iteration 342: trace = 2.578884704013924 (2.598e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.578884608043694 (3.72139e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.578884568228974 (1.54387e-06% change) large trace change predicted (3.5061e-06%) linmin: converged after 3 iterations. iteration 345: trace = 2.578884477813926 (3.50598e-06% change) linmin: converged after 32 iterations. iteration 346: trace = 2.57888440816081 (2.7009e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.578884377325902 (1.19567e-06% change) large trace change predicted (2.95992e-06%) linmin: converged after 2 iterations. iteration 348: trace = 2.578884300992386 (2.95994e-06% change) linmin: converged after 4 iterations. iteration 349: trace = 2.578884199370362 (3.94054e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.578884116659355 (3.20724e-06% change) linmin: converged after 15 iterations. iteration 351: trace = 2.578884058645616 (2.24957e-06% change) linmin: converged after 2 iterations. iteration 352: trace = 2.578884036464944 (8.60088e-07% change) large trace change predicted (2.03024e-06%) linmin: converged after 17 iterations. iteration 353: trace = 2.578883984105725 (2.03031e-06% change) linmin: converged after 2 iterations. iteration 354: trace = 2.578883927608765 (2.19075e-06% change) linmin: converged after 5 iterations. iteration 355: trace = 2.57888390014904 (1.06479e-06% change) large trace change predicted (2.37462e-06%) linmin: converged after 3 iterations. iteration 356: trace = 2.578883838906447 (2.37477e-06% change) linmin: converged after 2 iterations. iteration 357: trace = 2.5788837970657 (1.62244e-06% change) linmin: converged after 30 iterations. iteration 358: trace = 2.57888376807427 (1.12419e-06% change) linmin: converged after 3 iterations. iteration 359: trace = 2.578883713670522 (2.10959e-06% change) linmin: converged after 3 iterations. iteration 360: trace = 2.578883701399795 (4.75815e-07% change) large trace change predicted (1.552e-06%) linmin: converged after 3 iterations. iteration 361: trace = 2.578883661374154 (1.55205e-06% change) linmin: converged after 2 iterations. iteration 362: trace = 2.578883615165985 (1.79179e-06% change) linmin: converged after 2 iterations. iteration 363: trace = 2.578883599986654 (5.88601e-07% change) large trace change predicted (1.47467e-06%) linmin: converged after 21 iterations. iteration 364: trace = 2.578883561955101 (1.47473e-06% change) linmin: converged after 3 iterations. iteration 365: trace = 2.578883499786162 (2.41069e-06% change) linmin: converged after 6 iterations. iteration 366: trace = 2.578883473259338 (1.02862e-06% change) large trace change predicted (2.16324e-06%) linmin: converged after 3 iterations. iteration 367: trace = 2.57888341746973 (2.16332e-06% change) linmin: converged after 12 iterations. iteration 368: trace = 2.578883362803683 (2.11976e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.578883331312625 (1.22111e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.578883278096646 (2.06353e-06% change) linmin: converged after 2 iterations. iteration 371: trace = 2.578883232301224 (1.77579e-06% change) linmin: converged after 4 iterations. iteration 372: trace = 2.578883193866086 (1.49038e-06% change) linmin: converged after 3 iterations. iteration 373: trace = 2.578883128458537 (2.53627e-06% change) linmin: converged after 6 iterations. iteration 374: trace = 2.578883113782989 (5.69066e-07% change) large trace change predicted (1.66165e-06%) linmin: converged after 5 iterations. iteration 375: trace = 2.578883070932626 (1.66159e-06% change) linmin: converged after 11 iterations. iteration 376: trace = 2.578883018716562 (2.02476e-06% change) linmin: converged after 6 iterations. iteration 377: trace = 2.578882970182465 (1.88198e-06% change) linmin: converged after 9 iterations. iteration 378: trace = 2.578882952350625 (6.91456e-07% change) large trace change predicted (2.05739e-06%) linmin: converged after 3 iterations. iteration 379: trace = 2.578882899296014 (2.05727e-06% change) linmin: converged after 10 iterations. iteration 380: trace = 2.578882881506566 (6.89812e-07% change) linmin: converged after 4 iterations. iteration 381: trace = 2.578882853475612 (1.08694e-06% change) linmin: converged after 27 iterations. iteration 382: trace = 2.578882815943033 (1.45538e-06% change) linmin: converged after 5 iterations. iteration 383: trace = 2.578882806889427 (3.51067e-07% change) large trace change predicted (1.06703e-06%) linmin: converged after 4 iterations. iteration 384: trace = 2.578882779372916 (1.06699e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.578882755527427 (9.24644e-07% change) linmin: converged after 3 iterations. iteration 386: trace = 2.578882744525212 (4.26627e-07% change) large trace change predicted (1.01891e-06%) linmin: converged after 3 iterations. iteration 387: trace = 2.578882718249225 (1.01889e-06% change) linmin: converged after 2 iterations. iteration 388: trace = 2.578882703063015 (5.88868e-07% change) linmin: converged after 4 iterations. iteration 389: trace = 2.578882679998177 (8.94373e-07% change) linmin: converged after 17 iterations. iteration 390: trace = 2.578882640629375 (1.52658e-06% change) linmin: converged after 4 iterations. iteration 391: trace = 2.578882633940746 (2.59362e-07% change) large trace change predicted (1.42673e-06%) linmin: converged after 4 iterations. iteration 392: trace = 2.578882597146995 (1.42673e-06% change) linmin: converged after 2 iterations. iteration 393: trace = 2.578882569518502 (1.07134e-06% change) linmin: converged after 3 iterations. iteration 394: trace = 2.578882553965367 (6.03096e-07% change) linmin: converged after 2 iterations. iteration 395: trace = 2.578882530776598 (8.99179e-07% change) linmin: converged after 5 iterations. iteration 396: trace = 2.578882500050447 (1.19145e-06% change) linmin: converged after 6 iterations. iteration 397: trace = 2.578882489042851 (4.26836e-07% change) large trace change predicted (1.115e-06%) linmin: converged after 3 iterations. iteration 398: trace = 2.578882460288019 (1.11501e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.578882432897072 (1.06212e-06% change) linmin: converged after 4 iterations. iteration 400: trace = 2.578882421877958 (4.27283e-07% change) large trace change predicted (1.64314e-06%) linmin: converged after 2 iterations. iteration 401: trace = 2.578882379502339 (1.64318e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.578882367864802 (4.51263e-07% change) large trace change predicted (1.12085e-06%) linmin: converged after 8 iterations. iteration 403: trace = 2.578882338957688 (1.12092e-06% change) linmin: converged after 5 iterations. iteration 404: trace = 2.578882310266573 (1.11254e-06% change) linmin: converged after 2 iterations. iteration 405: trace = 2.578882300352086 (3.84449e-07% change) linmin: converged after 2 iterations. iteration 406: trace = 2.578882283079114 (6.69785e-07% change) linmin: converged after 3 iterations. iteration 407: trace = 2.578882259177726 (9.26812e-07% change) linmin: converged after 5 iterations. iteration 408: trace = 2.578882247956715 (4.35111e-07% change) linmin: converged after 3 iterations. iteration 409: trace = 2.57888223444814 (5.23815e-07% change) linmin: converged after 3 iterations. iteration 410: trace = 2.578882212189181 (8.63124e-07% change) linmin: converged after 12 iterations. iteration 411: trace = 2.578882206515553 (2.20003e-07% change) large trace change predicted (6.59205e-07%) linmin: converged after 2 iterations. iteration 412: trace = 2.578882189515412 (6.59206e-07% change) linmin: converged after 16 iterations. iteration 413: trace = 2.578882167133094 (8.67908e-07% change) linmin: converged after 20 iterations. iteration 414: trace = 2.578882162543898 (1.77953e-07% change) large trace change predicted (7.20905e-07%) linmin: converged after 13 iterations. iteration 415: trace = 2.578882143952733 (7.209e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.578882138199545 (2.23088e-07% change) linmin: converged after 2 iterations. iteration 417: trace = 2.578882128500576 (3.76092e-07% change) linmin: converged after 2 iterations. iteration 418: trace = 2.578882115845795 (4.90708e-07% change) linmin: converged after 20 iterations. iteration 419: trace = 2.57888211063133 (2.02199e-07% change) resetting CG direction... linmin: converged after 16 iterations. iteration 420: trace = 2.578882105624677 (1.9414e-07% change) large trace change predicted (4.22431e-07%) linmin: converged after 3 iterations. iteration 421: trace = 2.578882094730754 (4.22428e-07% change) linmin: converged after 3 iterations. iteration 422: trace = 2.57888208676304 (3.0896e-07% change) linmin: converged after 9 iterations. iteration 423: trace = 2.578882082194057 (1.77169e-07% change) large trace change predicted (5.53253e-07%) linmin: converged after 3 iterations. iteration 424: trace = 2.578882067926347 (5.53252e-07% change) linmin: converged after 6 iterations. iteration 425: trace = 2.57888206455133 (1.30871e-07% change) large trace change predicted (5.55757e-07%) linmin: converged after 4 iterations. iteration 426: trace = 2.578882050219244 (5.55748e-07% change) linmin: converged after 22 iterations. iteration 427: trace = 2.578882039301253 (4.23361e-07% change) linmin: converged after 29 iterations. iteration 428: trace = 2.578882035916876 (1.31234e-07% change) large trace change predicted (4.92629e-07%) linmin: converged after 16 iterations. iteration 429: trace = 2.578882023212756 (4.92621e-07% change) linmin: converged after 2 iterations. iteration 430: trace = 2.578882016030413 (2.78506e-07% change) linmin: converged after 4 iterations. iteration 431: trace = 2.57888201061992 (2.098e-07% change) large trace change predicted (4.41943e-07%) linmin: converged after 5 iterations. iteration 432: trace = 2.578881999222959 (4.41934e-07% change) linmin: converged after 9 iterations. iteration 433: trace = 2.578881990164549 (3.51253e-07% change) linmin: converged after 3 iterations. iteration 434: trace = 2.578881985954999 (1.63232e-07% change) large trace change predicted (4.93198e-07%) linmin: converged after 5 iterations. iteration 435: trace = 2.578881973236215 (4.9319e-07% change) linmin: converged after 20 iterations. iteration 436: trace = 2.578881962807785 (4.04378e-07% change) linmin: converged after 4 iterations. iteration 437: trace = 2.578881957293434 (2.13827e-07% change) large trace change predicted (5.69584e-07%) linmin: converged after 20 iterations. iteration 438: trace = 2.57888194260472 (5.69577e-07% change) linmin: converged after 3 iterations. iteration 439: trace = 2.578881938537754 (1.57703e-07% change) large trace change predicted (3.27811e-07%) linmin: converged after 8 iterations. iteration 440: trace = 2.578881930083957 (3.27809e-07% change) linmin: converged after 10 iterations. iteration 441: trace = 2.578881920162149 (3.84733e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.578881912464808 (2.98476e-07% change) linmin: converged after 11 iterations. iteration 443: trace = 2.578881908075124 (1.70217e-07% change) linmin: converged after 4 iterations. iteration 444: trace = 2.578881900367723 (2.98866e-07% change) linmin: converged after 3 iterations. iteration 445: trace = 2.57888189572206 (1.80143e-07% change) linmin: converged after 3 iterations. iteration 446: trace = 2.578881890744253 (1.93022e-07% change) linmin: converged after 2 iterations. iteration 447: trace = 2.578881881909399 (3.42585e-07% change) linmin: converged after 4 iterations. iteration 448: trace = 2.578881880018332 (7.33289e-08% change) large trace change predicted (2.81432e-07%) linmin: converged after 3 iterations. iteration 449: trace = 2.578881872760469 (2.81434e-07% change) linmin: converged after 2 iterations. iteration 450: trace = 2.57888186673831 (2.33518e-07% change) linmin: converged after 4 iterations. iteration 451: trace = 2.5788818639563 (1.07877e-07% change) linmin: converged after 4 iterations. iteration 452: trace = 2.578881859993886 (1.53649e-07% change) linmin: converged after 9 iterations. iteration 453: trace = 2.578881854783525 (2.0204e-07% change) linmin: converged after 4 iterations. iteration 454: trace = 2.578881853007518 (6.88673e-08% change) large trace change predicted (1.52945e-07%) linmin: converged after 4 iterations. iteration 455: trace = 2.578881849063212 (1.52946e-07% change) linmin: converged after 16 iterations. iteration 456: trace = 2.578881843086535 (2.31755e-07% change) linmin: converged after 7 iterations. iteration 457: trace = 2.57888183978997 (1.27829e-07% change) linmin: converged after 7 iterations. iteration 458: trace = 2.578881835958173 (1.48584e-07% change) linmin: converged after 3 iterations. iteration 459: trace = 2.578881828467651 (2.90456e-07% change) linmin: converged after 3 iterations. iteration 460: trace = 2.578881827035234 (5.55441e-08% change) large trace change predicted (2.62877e-07%) linmin: converged after 4 iterations. iteration 461: trace = 2.578881820255876 (2.6288e-07% change) linmin: converged after 3 iterations. iteration 462: trace = 2.578881817775461 (9.61818e-08% change) linmin: converged after 3 iterations. iteration 463: trace = 2.578881814346596 (1.32959e-07% change) linmin: converged after 4 iterations. iteration 464: trace = 2.578881808577203 (2.23717e-07% change) linmin: converged after 12 iterations. iteration 465: trace = 2.578881805941811 (1.02191e-07% change) linmin: converged after 4 iterations. iteration 466: trace = 2.578881801060249 (1.8929e-07% change) linmin: converged after 5 iterations. iteration 467: trace = 2.578881795843017 (2.02306e-07% change) linmin: converged after 7 iterations. iteration 468: trace = 2.578881794179496 (6.45055e-08% change) large trace change predicted (1.59521e-07%) linmin: converged after 4 iterations. iteration 469: trace = 2.57888179006568 (1.59519e-07% change) linmin: converged after 4 iterations. iteration 470: trace = 2.578881784015823 (2.34592e-07% change) linmin: converged after 5 iterations. iteration 471: trace = 2.578881781443343 (9.97518e-08% change) linmin: converged after 9 iterations. iteration 472: trace = 2.578881778556654 (1.11936e-07% change) linmin: converged after 3 iterations. iteration 473: trace = 2.578881774866784 (1.4308e-07% change) linmin: converged after 5 iterations. iteration 474: trace = 2.578881773660004 (4.67947e-08% change) linmin: converged after 13 iterations. iteration 475: trace = 2.578881771567481 (8.11407e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.578881768884465 (1.04038e-07% change) linmin: converged after 14 iterations. iteration 477: trace = 2.578881768221123 (2.57221e-08% change) large trace change predicted (9.21641e-08%) linmin: converged after 14 iterations. iteration 478: trace = 2.578881765844351 (9.21629e-08% change) linmin: converged after 5 iterations. iteration 479: trace = 2.578881763287353 (9.91514e-08% change) linmin: converged after 6 iterations. iteration 480: trace = 2.578881762435282 (3.30404e-08% change) large trace change predicted (1.04227e-07%) linmin: converged after 4 iterations. iteration 481: trace = 2.578881759747437 (1.04225e-07% change) linmin: converged after 7 iterations. iteration 482: trace = 2.578881756528326 (1.24826e-07% change) linmin: converged after 4 iterations. iteration 483: trace = 2.578881755828173 (2.71495e-08% change) large trace change predicted (1.25791e-07%) linmin: converged after 4 iterations. iteration 484: trace = 2.578881752584197 (1.2579e-07% change) linmin: converged after 2 iterations. iteration 485: trace = 2.578881750817801 (6.84947e-08% change) linmin: converged after 3 iterations. iteration 486: trace = 2.578881749817505 (3.8788e-08% change) large trace change predicted (1.0013e-07%) linmin: converged after 3 iterations. iteration 487: trace = 2.578881747235278 (1.0013e-07% change) large trace change predicted (2.43235e-07%) linmin: converged after 6 iterations. iteration 488: trace = 2.57888174096231 (2.43244e-07% change) large trace change predicted (6.32619e-07%) linmin: converged after 5 iterations. iteration 489: trace = 2.578881724647273 (6.3264e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.578881718426556 (2.41218e-07% change) linmin: converged after 4 iterations. iteration 491: trace = 2.578881716780178 (6.38408e-08% change) linmin: converged after 7 iterations. iteration 492: trace = 2.578881714248487 (9.81701e-08% change) linmin: converged after 5 iterations. iteration 493: trace = 2.578881712980371 (4.91731e-08% change) linmin: converged after 7 iterations. iteration 494: trace = 2.578881712148531 (3.22558e-08% change) linmin: converged after 7 iterations. iteration 495: trace = 2.578881710508369 (6.35997e-08% change) linmin: converged after 5 iterations. iteration 496: trace = 2.578881710055911 (1.75447e-08% change) linmin: converged after 4 iterations. iteration 497: trace = 2.578881709201378 (3.31358e-08% change) linmin: converged after 5 iterations. iteration 498: trace = 2.578881708396628 (3.12054e-08% change) linmin: converged after 5 iterations. iteration 499: trace = 2.578881708040746 (1.37999e-08% change) large trace change predicted (4.78392e-08%) linmin: converged after 4 iterations. iteration 500: trace = 2.578881706807022 (4.78395e-08% change) linmin: converged after 6 iterations. iteration 501: trace = 2.578881705319007 (5.77e-08% change) linmin: converged after 10 iterations. iteration 502: trace = 2.578881704844703 (1.83918e-08% change) large trace change predicted (4.39255e-08%) linmin: converged after 15 iterations. iteration 503: trace = 2.578881703711909 (4.39258e-08% change) linmin: converged after 8 iterations. iteration 504: trace = 2.578881702842232 (3.3723e-08% change) linmin: converged after 4 iterations. iteration 505: trace = 2.578881702605541 (9.17805e-09% change) large trace change predicted (5.31418e-08%) linmin: converged after 4 iterations. iteration 506: trace = 2.578881701235065 (5.31423e-08% change) linmin: converged after 4 iterations. iteration 507: trace = 2.578881699599157 (6.34348e-08% change) linmin: converged after 4 iterations. iteration 508: trace = 2.578881698862904 (2.85493e-08% change) large trace change predicted (6.56085e-08%) linmin: converged after 4 iterations. iteration 509: trace = 2.578881697170931 (6.56088e-08% change) linmin: converged after 24 iterations. iteration 510: trace = 2.57888169666101 (1.9773e-08% change) linmin: converged after 3 iterations. iteration 511: trace = 2.578881695920174 (2.8727e-08% change) linmin: converged after 2 iterations. iteration 512: trace = 2.578881694668283 (4.85439e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.578881693905658 (2.95719e-08% change) linmin: converged after 12 iterations. iteration 514: trace = 2.578881693429598 (1.84599e-08% change) linmin: converged after 5 iterations. iteration 515: trace = 2.578881692567755 (3.34193e-08% change) linmin: converged after 4 iterations. iteration 516: trace = 2.578881692083071 (1.87943e-08% change) linmin: converged after 4 iterations. iteration 517: trace = 2.578881691498053 (2.26849e-08% change) linmin: converged after 6 iterations. iteration 518: trace = 2.578881690786688 (2.75843e-08% change) linmin: converged after 7 iterations. iteration 519: trace = 2.578881690544526 (9.39019e-09% change) large trace change predicted (3.33005e-08%) linmin: converged after 9 iterations. iteration 520: trace = 2.578881689685758 (3.33e-08% change) linmin: converged after 4 iterations. iteration 521: trace = 2.578881688906706 (3.02089e-08% change) linmin: converged after 7 iterations. iteration 522: trace = 2.578881688428924 (1.85267e-08% change) linmin: converged after 8 iterations. iteration 523: trace = 2.578881688124509 (1.18041e-08% change) large trace change predicted (3.26334e-08%) linmin: converged after 6 iterations. iteration 524: trace = 2.578881687282942 (3.2633e-08% change) linmin: converged after 3 iterations. iteration 525: trace = 2.578881687040559 (9.39876e-09% change) large trace change predicted (1.94505e-08%) linmin: converged after 8 iterations. iteration 526: trace = 2.578881686538957 (1.94504e-08% change) linmin: converged after 28 iterations. iteration 527: trace = 2.578881685941983 (2.31485e-08% change) linmin: converged after 7 iterations. iteration 528: trace = 2.578881685700483 (9.36451e-09% change) large trace change predicted (3.7376e-08%) linmin: converged after 7 iterations. iteration 529: trace = 2.578881684736602 (3.7376e-08% change) linmin: converged after 4 iterations. iteration 530: trace = 2.578881683860251 (3.39818e-08% change) linmin: converged after 6 iterations. iteration 531: trace = 2.578881683598155 (1.01632e-08% change) large trace change predicted (2.16464e-08%) linmin: converged after 5 iterations. iteration 532: trace = 2.578881683039921 (2.16463e-08% change) linmin: converged after 4 iterations. iteration 533: trace = 2.578881682597069 (1.71723e-08% change) linmin: converged after 23 iterations. iteration 534: trace = 2.578881682325931 (1.05138e-08% change) large trace change predicted (3.5112e-08%) linmin: converged after 3 iterations. iteration 535: trace = 2.578881681420434 (3.5112e-08% change) linmin: converged after 19 iterations. iteration 536: trace = 2.578881680759065 (2.56456e-08% change) linmin: converged after 26 iterations. iteration 537: trace = 2.578881680517772 (9.35651e-09% change) large trace change predicted (2.50835e-08%) linmin: converged after 4 iterations. iteration 538: trace = 2.5788816798709 (2.50834e-08% change) linmin: converged after 5 iterations. iteration 539: trace = 2.578881679263183 (2.35651e-08% change) linmin: converged after 4 iterations. iteration 540: trace = 2.578881679054399 (8.09592e-09% change) large trace change predicted (2.08287e-08%) linmin: converged after 7 iterations. iteration 541: trace = 2.578881678517249 (2.08288e-08% change) linmin: converged after 5 iterations. iteration 542: trace = 2.578881678158877 (1.38964e-08% change) linmin: converged after 11 iterations. iteration 543: trace = 2.578881677940108 (8.4831e-09% change) linmin: converged after 7 iterations. iteration 544: trace = 2.578881677524349 (1.61217e-08% change) linmin: converged after 6 iterations. iteration 545: trace = 2.578881677206355 (1.23307e-08% change) linmin: converged after 4 iterations. iteration 546: trace = 2.578881676968276 (9.23187e-09% change) large trace change predicted (1.86965e-08%) linmin: converged after 4 iterations. iteration 547: trace = 2.578881676486112 (1.86966e-08% change) linmin: converged after 4 iterations. iteration 548: trace = 2.578881676296866 (7.3383e-09% change) linmin: converged after 13 iterations. iteration 549: trace = 2.578881676070456 (8.77942e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.578881675728816 (1.32476e-08% change) linmin: converged after 3 iterations. iteration 551: trace = 2.578881675497678 (8.96271e-09% change) linmin: converged after 3 iterations. iteration 552: trace = 2.578881675242907 (9.87914e-09% change) linmin: converged after 6 iterations. iteration 553: trace = 2.57888167487022 (1.44515e-08% change) linmin: converged after 19 iterations. iteration 554: trace = 2.578881674776116 (3.64902e-09% change) large trace change predicted (8.65085e-09%) linmin: converged after 21 iterations. iteration 555: trace = 2.578881674553021 (8.65086e-09% change) linmin: converged after 11 iterations. iteration 556: trace = 2.57888167437303 (6.97939e-09% change) linmin: converged after 4 iterations. iteration 557: trace = 2.578881674323784 (1.90959e-09% change) large trace change predicted (1.07489e-08%) linmin: converged after 4 iterations. iteration 558: trace = 2.578881674046585 (1.07488e-08% change) linmin: converged after 4 iterations. iteration 559: trace = 2.578881673624115 (1.63819e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.578881673512144 (4.34184e-09% change) linmin: converged after 4 iterations. iteration 561: trace = 2.578881673295886 (8.38573e-09% change) linmin: converged after 7 iterations. iteration 562: trace = 2.578881673157047 (5.3837e-09% change) linmin: converged after 7 iterations. iteration 563: trace = 2.578881673066309 (3.51849e-09% change) linmin: converged after 5 iterations. iteration 564: trace = 2.578881672932382 (5.19322e-09% change) linmin: converged after 19 iterations. iteration 565: trace = 2.578881672734481 (7.67392e-09% change) linmin: converged after 6 iterations. iteration 566: trace = 2.578881672675247 (2.29689e-09% change) large trace change predicted (7.54241e-09%) linmin: converged after 20 iterations. iteration 567: trace = 2.578881672480739 (7.54234e-09% change) linmin: converged after 4 iterations. iteration 568: trace = 2.578881672331461 (5.78846e-09% change) linmin: converged after 5 iterations. iteration 569: trace = 2.578881672236288 (3.69047e-09% change) large trace change predicted (9.53334e-09%) linmin: converged after 4 iterations. iteration 570: trace = 2.578881671990434 (9.53337e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.578881671914584 (2.94118e-09% change) large trace change predicted (7.29543e-09%) linmin: converged after 12 iterations. iteration 572: trace = 2.578881671726443 (7.29547e-09% change) linmin: converged after 21 iterations. iteration 573: trace = 2.578881671543017 (7.11262e-09% change) linmin: converged after 3 iterations. iteration 574: trace = 2.578881671473154 (2.70905e-09% change) large trace change predicted (6.57549e-09%) linmin: converged after 12 iterations. iteration 575: trace = 2.57888167130358 (6.57547e-09% change) linmin: converged after 7 iterations. iteration 576: trace = 2.578881671088701 (8.33226e-09% change) linmin: converged after 5 iterations. iteration 577: trace = 2.578881671032781 (2.16837e-09% change) large trace change predicted (1.09121e-08%) linmin: converged after 4 iterations. iteration 578: trace = 2.578881670751375 (1.09119e-08% change) linmin: converged after 12 iterations. iteration 579: trace = 2.578881670591658 (6.19327e-09% change) linmin: converged after 4 iterations. iteration 580: trace = 2.578881670513216 (3.04169e-09% change) large trace change predicted (1.04119e-08%) linmin: converged after 20 iterations. iteration 581: trace = 2.578881670244702 (1.0412e-08% change) linmin: converged after 4 iterations. iteration 582: trace = 2.578881670042271 (7.84955e-09% change) linmin: converged after 6 iterations. iteration 583: trace = 2.578881669975914 (2.57311e-09% change) large trace change predicted (7.51575e-09%) linmin: converged after 4 iterations. iteration 584: trace = 2.578881669782093 (7.5157e-09% change) linmin: converged after 3 iterations. iteration 585: trace = 2.578881669703646 (3.0419e-09% change) linmin: converged after 3 iterations. iteration 586: trace = 2.578881669557983 (5.6483e-09% change) linmin: converged after 22 iterations. iteration 587: trace = 2.578881669411186 (5.69227e-09% change) linmin: converged after 7 iterations. iteration 588: trace = 2.578881669317883 (3.61797e-09% change) linmin: converged after 4 iterations. iteration 589: trace = 2.578881669236906 (3.14e-09% change) large trace change predicted (6.96832e-09%) linmin: converged after 20 iterations. iteration 590: trace = 2.5788816690572 (6.96837e-09% change) linmin: converged after 24 iterations. iteration 591: trace = 2.57888166890418 (5.93359e-09% change) linmin: converged after 18 iterations. iteration 592: trace = 2.578881668853529 (1.96404e-09% change) large trace change predicted (5.39672e-09%) linmin: converged after 11 iterations. iteration 593: trace = 2.578881668714356 (5.39665e-09% change) linmin: converged after 4 iterations. iteration 594: trace = 2.578881668589363 (4.84682e-09% change) linmin: converged after 5 iterations. iteration 595: trace = 2.578881668560112 (1.13424e-09% change) large trace change predicted (3.13085e-09%) linmin: converged after 7 iterations. iteration 596: trace = 2.578881668479373 (3.13076e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.578881668368087 (4.3153e-09% change) linmin: converged after 12 iterations. iteration 598: trace = 2.578881668327885 (1.5589e-09% change) large trace change predicted (5.339e-09%) linmin: converged after 5 iterations. iteration 599: trace = 2.578881668190197 (5.33904e-09% change) linmin: converged after 15 iterations. iteration 600: trace = 2.578881668069743 (4.67078e-09% change) linmin: converged after 24 iterations. iteration 601: trace = 2.578881668035215 (1.33889e-09% change) large trace change predicted (3.15479e-09%) linmin: converged after 12 iterations. iteration 602: trace = 2.578881667953855 (3.15485e-09% change) linmin: converged after 21 iterations. iteration 603: trace = 2.578881667910796 (1.66967e-09% change) linmin: converged after 24 iterations. iteration 604: trace = 2.578881667856274 (2.11418e-09% change) linmin: converged after 3 iterations. iteration 605: trace = 2.578881667765254 (3.52944e-09% change) linmin: converged after 19 iterations. iteration 606: trace = 2.578881667737539 (1.0747e-09% change) large trace change predicted (3.07161e-09%) linmin: converged after 2 iterations. iteration 607: trace = 2.578881667658322 (3.07173e-09% change) linmin: converged after 7 iterations. iteration 608: trace = 2.578881667584383 (2.86712e-09% change) linmin: converged after 4 iterations. iteration 609: trace = 2.578881667557337 (1.04875e-09% change) large trace change predicted (3.28848e-09%) linmin: converged after 27 iterations. iteration 610: trace = 2.57888166747253 (3.28853e-09% change) linmin: converged after 24 iterations. iteration 611: trace = 2.57888166736174 (4.29605e-09% change) linmin: converged after 10 iterations. iteration 612: trace = 2.578881667282033 (3.09075e-09% change) linmin: converged after 23 iterations. iteration 613: trace = 2.578881667222985 (2.28965e-09% change) linmin: converged after 4 iterations. iteration 614: trace = 2.578881667151451 (2.77383e-09% change) linmin: converged after 9 iterations. iteration 615: trace = 2.578881667116891 (1.34013e-09% change) linmin: converged after 19 iterations. iteration 616: trace = 2.578881667068707 (1.86839e-09% change) linmin: converged after 24 iterations. iteration 617: trace = 2.578881666997116 (2.77607e-09% change) linmin: converged after 4 iterations. iteration 618: trace = 2.578881666943873 (2.06455e-09% change) linmin: converged after 4 iterations. iteration 619: trace = 2.578881666924302 (7.58895e-10% change) large trace change predicted (2.04941e-09%) linmin: converged after 6 iterations. iteration 620: trace = 2.578881666871453 (2.04933e-09% change) linmin: converged after 8 iterations. iteration 621: trace = 2.578881666829185 (1.63899e-09% change) linmin: converged after 6 iterations. iteration 622: trace = 2.578881666776131 (2.05725e-09% change) linmin: converged after 5 iterations. iteration 623: trace = 2.578881666709835 (2.57074e-09% change) linmin: converged after 7 iterations. iteration 624: trace = 2.578881666694345 (6.00641e-10% change) large trace change predicted (1.31907e-09%) linmin: converged after 15 iterations. iteration 625: trace = 2.578881666660327 (1.3191e-09% change) linmin: converged after 16 iterations. iteration 626: trace = 2.578881666625079 (1.3668e-09% change) linmin: converged after 4 iterations. iteration 627: trace = 2.578881666610428 (5.68112e-10% change) large trace change predicted (3.02454e-09%) linmin: converged after 3 iterations. iteration 628: trace = 2.578881666532428 (3.02456e-09% change) linmin: converged after 6 iterations. iteration 629: trace = 2.578881666402975 (5.01973e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 630: trace = 2.578881666365661 (1.44689e-09% change) linmin: converged after 14 iterations. iteration 631: trace = 2.578881666308834 (2.20355e-09% change) linmin: converged after 4 iterations. iteration 632: trace = 2.578881666271098 (1.46327e-09% change) linmin: converged after 3 iterations. iteration 633: trace = 2.578881666261256 (3.81652e-10% change) large trace change predicted (1.10518e-09%) linmin: converged after 4 iterations. iteration 634: trace = 2.578881666232756 (1.10514e-09% change) linmin: converged after 5 iterations. iteration 635: trace = 2.578881666211092 (8.40037e-10% change) linmin: converged after 8 iterations. iteration 636: trace = 2.578881666196355 (5.71436e-10% change) linmin: converged after 15 iterations. iteration 637: trace = 2.578881666170575 (9.99686e-10% change) linmin: converged after 7 iterations. iteration 638: trace = 2.578881666158961 (4.50326e-10% change) linmin: converged after 3 iterations. iteration 639: trace = 2.578881666137326 (8.38952e-10% change) large trace change predicted (1.70635e-09%) linmin: converged after 16 iterations. iteration 640: trace = 2.578881666093318 (1.70646e-09% change) linmin: converged after 4 iterations. iteration 641: trace = 2.578881666076654 (6.46189e-10% change) large trace change predicted (1.54369e-09%) linmin: converged after 10 iterations. iteration 642: trace = 2.578881666036843 (1.54371e-09% change) linmin: converged after 4 iterations. iteration 643: trace = 2.578881665998372 (1.49179e-09% change) linmin: converged after 6 iterations. iteration 644: trace = 2.578881665989188 (3.56131e-10% change) large trace change predicted (9.14615e-10%) linmin: converged after 4 iterations. iteration 645: trace = 2.5788816659656 (9.14652e-10% change) linmin: converged after 13 iterations. iteration 646: trace = 2.578881665938786 (1.03974e-09% change) linmin: converged after 3 iterations. iteration 647: trace = 2.578881665927605 (4.33588e-10% change) large trace change predicted (1.85373e-09%) linmin: converged after 5 iterations. iteration 648: trace = 2.578881665879801 (1.85365e-09% change) linmin: converged after 6 iterations. iteration 649: trace = 2.578881665849486 (1.17552e-09% change) linmin: converged after 3 iterations. iteration 650: trace = 2.578881665837637 (4.59453e-10% change) linmin: converged after 4 iterations. iteration 651: trace = 2.578881665818133 (7.56295e-10% change) linmin: converged after 3 iterations. iteration 652: trace = 2.578881665793404 (9.58891e-10% change) linmin: converged after 3 iterations. iteration 653: trace = 2.57888166578838 (1.94847e-10% change) large trace change predicted (6.15716e-10%) linmin: converged after 3 iterations. iteration 654: trace = 2.578881665772504 (6.15606e-10% change) linmin: converged after 5 iterations. iteration 655: trace = 2.578881665755103 (6.74757e-10% change) linmin: converged after 15 iterations. iteration 656: trace = 2.578881665733172 (8.50404e-10% change) linmin: converged after 3 iterations. iteration 657: trace = 2.578881665727903 (2.04301e-10% change) large trace change predicted (8.55276e-10%) linmin: converged after 12 iterations. iteration 658: trace = 2.578881665705846 (8.55277e-10% change) linmin: converged after 5 iterations. iteration 659: trace = 2.578881665687642 (7.05891e-10% change) linmin: converged after 12 iterations. iteration 660: trace = 2.578881665677319 (4.00284e-10% change) large trace change predicted (1.03966e-09%) linmin: converged after 3 iterations. iteration 661: trace = 2.578881665650508 (1.03965e-09% change) linmin: converged after 4 iterations. iteration 662: trace = 2.578881665630861 (7.6184e-10% change) linmin: converged after 15 iterations. iteration 663: trace = 2.578881665624601 (2.42754e-10% change) large trace change predicted (8.73049e-10%) linmin: converged after 10 iterations. iteration 664: trace = 2.578881665602088 (8.72979e-10% change) linmin: converged after 3 iterations. iteration 665: trace = 2.578881665585691 (6.35805e-10% change) linmin: converged after 9 iterations. iteration 666: trace = 2.578881665579373 (2.44975e-10% change) large trace change predicted (5.44998e-10%) linmin: converged after 3 iterations. iteration 667: trace = 2.578881665565317 (5.45072e-10% change) linmin: converged after 3 iterations. iteration 668: trace = 2.578881665550274 (5.83318e-10% change) linmin: converged after 8 iterations. iteration 669: trace = 2.578881665539279 (4.26321e-10% change) linmin: converged after 15 iterations. iteration 670: trace = 2.578881665517534 (8.43188e-10% change) linmin: converged after 3 iterations. iteration 671: trace = 2.5788816655135 (1.56429e-10% change) large trace change predicted (6.11963e-10%) linmin: converged after 7 iterations. iteration 672: trace = 2.578881665497717 (6.12007e-10% change) linmin: converged after 3 iterations. iteration 673: trace = 2.578881665485625 (4.68907e-10% change) linmin: converged after 2 iterations. iteration 674: trace = 2.578881665477133 (3.29285e-10% change) linmin: converged after 4 iterations. iteration 675: trace = 2.578881665468803 (3.23017e-10% change) linmin: converged after 15 iterations. iteration 676: trace = 2.578881665455805 (5.04002e-10% change) linmin: converged after 15 iterations. iteration 677: trace = 2.578881665446927 (3.44267e-10% change) linmin: converged after 4 iterations. iteration 678: trace = 2.578881665434703 (4.74004e-10% change) linmin: converged after 14 iterations. iteration 679: trace = 2.578881665414669 (7.76839e-10% change) linmin: converged after 4 iterations. iteration 680: trace = 2.578881665410171 (1.74406e-10% change) large trace change predicted (5.34734e-10%) linmin: converged after 6 iterations. iteration 681: trace = 2.578881665396382 (5.34705e-10% change) linmin: converged after 13 iterations. iteration 682: trace = 2.578881665382299 (5.46105e-10% change) linmin: converged after 12 iterations. iteration 683: trace = 2.578881665377376 (1.90886e-10% change) large trace change predicted (4.80507e-10%) linmin: converged after 11 iterations. iteration 684: trace = 2.578881665364982 (4.80582e-10% change) linmin: converged after 4 iterations. iteration 685: trace = 2.578881665352843 (4.70698e-10% change) linmin: converged after 4 iterations. iteration 686: trace = 2.578881665343447 (3.64363e-10% change) linmin: converged after 3 iterations. iteration 687: trace = 2.578881665339246 (1.62886e-10% change) large trace change predicted (3.86006e-10%) linmin: converged after 8 iterations. iteration 688: trace = 2.578881665329292 (3.86009e-10% change) linmin: converged after 15 iterations. iteration 689: trace = 2.57888166532241 (2.66845e-10% change) linmin: converged after 4 iterations. iteration 690: trace = 2.578881665319939 (9.58133e-11% change) Finished solving for bands 1 to 10 after 690 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 elapsed time for k point: 6.338700771331787 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.744311706566845 (2.29525% change) linmin: converged after 4 iterations. iteration 2: trace = 2.727853429188773 (0.601527% change) linmin: converged after 4 iterations. iteration 3: trace = 2.712444778499678 (0.566463% change) linmin: converged after 3 iterations. iteration 4: trace = 2.709059882647264 (0.124869% change) large trace change predicted (0.449863%) linmin: converged after 5 iterations. iteration 5: trace = 2.697341162333736 (0.433513% change) linmin: converged after 3 iterations. iteration 6: trace = 2.694430122046091 (0.107981% change) linmin: converged after 4 iterations. iteration 7: trace = 2.689690881339194 (0.176045% change) linmin: converged after 4 iterations. iteration 8: trace = 2.684920914106784 (0.1775% change) linmin: converged after 4 iterations. iteration 9: trace = 2.683317893044006 (0.0597224% change) large trace change predicted (0.123465%) linmin: converged after 4 iterations. iteration 10: trace = 2.680111196554443 (0.119576% change) linmin: converged after 4 iterations. iteration 11: trace = 2.678994185279359 (0.0416865% change) linmin: converged after 4 iterations. iteration 12: trace = 2.677047604712764 (0.0726873% change) linmin: converged after 4 iterations. iteration 13: trace = 2.675749668986879 (0.0484956% change) linmin: converged after 4 iterations. iteration 14: trace = 2.675253512529668 (0.0185444% change) large trace change predicted (0.0689961%) linmin: converged after 5 iterations. iteration 15: trace = 2.673466767247756 (0.0668102% change) linmin: converged after 4 iterations. iteration 16: trace = 2.672597660652589 (0.0325139% change) large trace change predicted (0.0848707%) linmin: converged after 5 iterations. iteration 17: trace = 2.670556349849861 (0.0764085% change) linmin: converged after 5 iterations. iteration 18: trace = 2.669703874082995 (0.0319264% change) linmin: converged after 6 iterations. iteration 19: trace = 2.668900351150444 (0.0301024% change) linmin: converged after 4 iterations. iteration 20: trace = 2.668441764783743 (0.0171841% change) linmin: converged after 4 iterations. iteration 21: trace = 2.667894295966653 (0.0205185% change) linmin: converged after 4 iterations. iteration 22: trace = 2.667712420203308 (0.00681744% change) linmin: converged after 4 iterations. iteration 23: trace = 2.667380646818715 (0.0124374% change) linmin: converged after 4 iterations. iteration 24: trace = 2.667219082742461 (0.00605721% change) large trace change predicted (0.0140638%) linmin: converged after 4 iterations. iteration 25: trace = 2.66684774538052 (0.0139232% change) linmin: converged after 4 iterations. iteration 26: trace = 2.666714603089204 (0.00499262% change) large trace change predicted (0.0115122%) linmin: converged after 4 iterations. iteration 27: trace = 2.666408036339559 (0.0114967% change) linmin: converged after 3 iterations. iteration 28: trace = 2.666220305149554 (0.00704085% change) linmin: converged after 4 iterations. iteration 29: trace = 2.66597312092934 (0.00927139% change) linmin: converged after 4 iterations. iteration 30: trace = 2.665789186993254 (0.00689955% change) linmin: converged after 4 iterations. iteration 31: trace = 2.665604105047465 (0.0069431% change) linmin: converged after 3 iterations. iteration 32: trace = 2.665322393682089 (0.0105689% change) linmin: converged after 3 iterations. iteration 33: trace = 2.665175370989547 (0.00551628% change) linmin: converged after 3 iterations. iteration 34: trace = 2.664933916151045 (0.00906003% change) linmin: converged after 3 iterations. iteration 35: trace = 2.664826985369218 (0.00401259% change) large trace change predicted (0.0092731%) linmin: converged after 4 iterations. iteration 36: trace = 2.664575674215955 (0.00943112% change) linmin: converged after 3 iterations. iteration 37: trace = 2.664486077834961 (0.00336256% change) large trace change predicted (0.00824588%) linmin: converged after 3 iterations. iteration 38: trace = 2.66426321971807 (0.00836437% change) linmin: converged after 3 iterations. iteration 39: trace = 2.664167698140893 (0.00358535% change) large trace change predicted (0.00963697%) linmin: converged after 3 iterations. iteration 40: trace = 2.663907663756214 (0.00976091% change) linmin: converged after 4 iterations. iteration 41: trace = 2.663805028176641 (0.00385289% change) large trace change predicted (0.010414%) linmin: converged after 4 iterations. iteration 42: trace = 2.663525763579706 (0.0104842% change) linmin: converged after 4 iterations. iteration 43: trace = 2.663401608748139 (0.00466141% change) large trace change predicted (0.00944192%) linmin: converged after 4 iterations. iteration 44: trace = 2.663149126389749 (0.00948014% change) linmin: converged after 4 iterations. iteration 45: trace = 2.663044892504995 (0.00391401% change) large trace change predicted (0.00793982%) linmin: converged after 4 iterations. iteration 46: trace = 2.662833377783387 (0.0079429% change) linmin: converged after 4 iterations. iteration 47: trace = 2.662716816016567 (0.00437745% change) linmin: converged after 4 iterations. iteration 48: trace = 2.662492945270663 (0.00840796% change) linmin: converged after 10 iterations. iteration 49: trace = 2.662363198583294 (0.00487325% change) linmin: converged after 3 iterations. iteration 50: trace = 2.662194435901293 (0.00633903% change) linmin: converged after 4 iterations. iteration 51: trace = 2.662058263970111 (0.00511516% change) linmin: converged after 4 iterations. iteration 52: trace = 2.661880036824464 (0.00669531% change) linmin: converged after 3 iterations. iteration 53: trace = 2.661724424549829 (0.00584612% change) linmin: converged after 4 iterations. iteration 54: trace = 2.661571659351845 (0.0057395% change) linmin: converged after 4 iterations. iteration 55: trace = 2.661350624840456 (0.00830501% change) linmin: converged after 4 iterations. iteration 56: trace = 2.661190937801536 (0.00600041% change) linmin: converged after 4 iterations. iteration 57: trace = 2.660967704777387 (0.00838882% change) linmin: converged after 4 iterations. iteration 58: trace = 2.660849318412781 (0.0044491% change) large trace change predicted (0.00999838%) linmin: converged after 4 iterations. iteration 59: trace = 2.660586139879843 (0.00989126% change) linmin: converged after 4 iterations. iteration 60: trace = 2.660492932363067 (0.00350333% change) large trace change predicted (0.00837966%) linmin: converged after 4 iterations. iteration 61: trace = 2.660271734284825 (0.00831452% change) linmin: converged after 4 iterations. iteration 62: trace = 2.660168754141257 (0.00387111% change) large trace change predicted (0.0102877%) linmin: converged after 4 iterations. iteration 63: trace = 2.659896542020582 (0.0102334% change) linmin: converged after 6 iterations. iteration 64: trace = 2.659777432904348 (0.00447806% change) linmin: converged after 6 iterations. iteration 65: trace = 2.659570313256062 (0.00778741% change) linmin: converged after 3 iterations. iteration 66: trace = 2.659406587425108 (0.00615629% change) linmin: converged after 4 iterations. iteration 67: trace = 2.659264423859675 (0.00534583% change) linmin: converged after 4 iterations. iteration 68: trace = 2.659119392291422 (0.00545397% change) linmin: converged after 4 iterations. iteration 69: trace = 2.659023915401236 (0.00359061% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.658915873699179 (0.00406329% change) large trace change predicted (0.016385%) linmin: converged after 3 iterations. iteration 71: trace = 2.65847821219801 (0.0164615% change) linmin: converged after 3 iterations. iteration 72: trace = 2.658118975344289 (0.0135138% change) linmin: converged after 3 iterations. iteration 73: trace = 2.657882986337128 (0.00887844% change) linmin: converged after 3 iterations. iteration 74: trace = 2.657598355694323 (0.0107095% change) linmin: converged after 3 iterations. iteration 75: trace = 2.657541563519207 (0.002137% change) large trace change predicted (0.00462973%) linmin: converged after 3 iterations. iteration 76: trace = 2.657418313642661 (0.00463785% change) linmin: converged after 3 iterations. iteration 77: trace = 2.657346174417507 (0.00271467% change) linmin: converged after 6 iterations. iteration 78: trace = 2.657324770813269 (0.000805454% change) large trace change predicted (0.00211725%) linmin: converged after 3 iterations. iteration 79: trace = 2.657268389099224 (0.00212177% change) linmin: converged after 3 iterations. iteration 80: trace = 2.657245708872471 (0.00085352% change) linmin: converged after 3 iterations. iteration 81: trace = 2.657219660351481 (0.000980288% change) linmin: converged after 3 iterations. iteration 82: trace = 2.657182681218516 (0.00139166% change) linmin: converged after 3 iterations. iteration 83: trace = 2.657168089408553 (0.000549147% change) large trace change predicted (0.00207295%) linmin: converged after 3 iterations. iteration 84: trace = 2.657112955464979 (0.00207494% change) linmin: converged after 3 iterations. iteration 85: trace = 2.657052124539778 (0.00228939% change) linmin: converged after 9 iterations. iteration 86: trace = 2.657017628805025 (0.00129828% change) large trace change predicted (0.0041929%) linmin: converged after 3 iterations. iteration 87: trace = 2.656905955255567 (0.00420305% change) linmin: converged after 4 iterations. iteration 88: trace = 2.656840795769683 (0.00245249% change) linmin: converged after 3 iterations. iteration 89: trace = 2.656716258420769 (0.00468753% change) linmin: converged after 3 iterations. iteration 90: trace = 2.656564762507229 (0.00570254% change) linmin: converged after 3 iterations. iteration 91: trace = 2.656504400467738 (0.00227221% change) large trace change predicted (0.00808324%) linmin: converged after 4 iterations. iteration 92: trace = 2.656289837853747 (0.0080772% change) linmin: converged after 3 iterations. iteration 93: trace = 2.656193473489253 (0.00362785% change) linmin: converged after 4 iterations. iteration 94: trace = 2.656063428358988 (0.00489604% change) linmin: converged after 4 iterations. iteration 95: trace = 2.655889889600818 (0.0065339% change) linmin: converged after 4 iterations. iteration 96: trace = 2.655839142251867 (0.00191077% change) large trace change predicted (0.00421301%) linmin: converged after 3 iterations. iteration 97: trace = 2.655727256189858 (0.00421292% change) linmin: converged after 4 iterations. iteration 98: trace = 2.655616150869089 (0.0041837% change) linmin: converged after 4 iterations. iteration 99: trace = 2.655571209211261 (0.00169234% change) linmin: converged after 3 iterations. iteration 100: trace = 2.655503811953288 (0.00253799% change) linmin: converged after 3 iterations. iteration 101: trace = 2.655488980723592 (0.000558511% change) large trace change predicted (0.00182287%) linmin: converged after 3 iterations. iteration 102: trace = 2.655440595979532 (0.00182208% change) linmin: converged after 4 iterations. iteration 103: trace = 2.655383205452213 (0.00216127% change) linmin: converged after 5 iterations. iteration 104: trace = 2.655357510966723 (0.000967642% change) large trace change predicted (0.00357653%) linmin: converged after 4 iterations. iteration 105: trace = 2.655262493743208 (0.00357839% change) linmin: converged after 4 iterations. iteration 106: trace = 2.655229576881033 (0.00123969% change) large trace change predicted (0.00270501%) linmin: converged after 3 iterations. iteration 107: trace = 2.655157690114051 (0.0027074% change) linmin: converged after 3 iterations. iteration 108: trace = 2.655030930807147 (0.00477419% change) linmin: converged after 4 iterations. iteration 109: trace = 2.654980461725226 (0.0019009% change) large trace change predicted (0.00534967%) linmin: converged after 4 iterations. iteration 110: trace = 2.65483831067593 (0.00535427% change) linmin: converged after 4 iterations. iteration 111: trace = 2.654712145935743 (0.00475237% change) linmin: converged after 4 iterations. iteration 112: trace = 2.654658501141271 (0.00202076% change) linmin: converged after 4 iterations. iteration 113: trace = 2.654566839474135 (0.00345292% change) linmin: converged after 4 iterations. iteration 114: trace = 2.654539506720603 (0.00102966% change) large trace change predicted (0.00383287%) linmin: converged after 4 iterations. iteration 115: trace = 2.654437788715784 (0.00383192% change) linmin: converged after 4 iterations. iteration 116: trace = 2.654364539132505 (0.00275955% change) linmin: converged after 3 iterations. iteration 117: trace = 2.654340189959548 (0.00091733% change) large trace change predicted (0.00275142%) linmin: converged after 3 iterations. iteration 118: trace = 2.654267203206098 (0.00274975% change) linmin: converged after 3 iterations. iteration 119: trace = 2.654255160348953 (0.000453718% change) large trace change predicted (0.00136354%) linmin: converged after 3 iterations. iteration 120: trace = 2.654218987146353 (0.00136285% change) linmin: converged after 3 iterations. iteration 121: trace = 2.654200862719402 (0.000682856% change) linmin: converged after 4 iterations. iteration 122: trace = 2.65419338921621 (0.000281573% change) large trace change predicted (0.000758533%) linmin: converged after 5 iterations. iteration 123: trace = 2.65417325754406 (0.000758488% change) linmin: converged after 4 iterations. iteration 124: trace = 2.654167283770966 (0.000225071% change) linmin: converged after 3 iterations. iteration 125: trace = 2.654157924388185 (0.00035263% change) linmin: converged after 4 iterations. iteration 126: trace = 2.654147428429356 (0.000395454% change) linmin: converged after 4 iterations. iteration 127: trace = 2.65414356521363 (0.000145554% change) large trace change predicted (0.000376496%) linmin: converged after 4 iterations. iteration 128: trace = 2.654133572243902 (0.000376505% change) linmin: converged after 3 iterations. iteration 129: trace = 2.654120961518042 (0.000475136% change) linmin: converged after 4 iterations. iteration 130: trace = 2.654109191835844 (0.00044345% change) linmin: converged after 3 iterations. iteration 131: trace = 2.654085880836995 (0.000878302% change) linmin: converged after 6 iterations. iteration 132: trace = 2.654077837930282 (0.000303039% change) large trace change predicted (0.000990428%) linmin: converged after 3 iterations. iteration 133: trace = 2.654051536673845 (0.00099098% change) linmin: converged after 5 iterations. iteration 134: trace = 2.654040116195589 (0.000430304% change) linmin: converged after 3 iterations. iteration 135: trace = 2.654033618699459 (0.000244816% change) linmin: converged after 3 iterations. iteration 136: trace = 2.654022217430992 (0.000429584% change) linmin: converged after 3 iterations. iteration 137: trace = 2.654018101221194 (0.000155093% change) large trace change predicted (0.00048083%) linmin: converged after 3 iterations. iteration 138: trace = 2.65400533905391 (0.000480863% change) linmin: converged after 3 iterations. iteration 139: trace = 2.65399702905286 (0.000313112% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.653995088459377 (7.31197e-05% change) linmin: converged after 4 iterations. iteration 141: trace = 2.653992473173823 (9.85415e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.6539901550025 (8.73466e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.653988588755459 (5.90148e-05% change) linmin: converged after 4 iterations. iteration 144: trace = 2.653985747965276 (0.000107039% change) linmin: converged after 5 iterations. iteration 145: trace = 2.653984648480818 (4.14277e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.6539827442467 (7.175e-05% change) linmin: converged after 4 iterations. iteration 147: trace = 2.653979604141536 (0.000118317% change) linmin: converged after 5 iterations. iteration 148: trace = 2.653979060079978 (2.04998e-05% change) large trace change predicted (9.46791e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.653976547210318 (9.46831e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.653975158224627 (5.2336e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.653973699093475 (5.49791e-05% change) large trace change predicted (0.000111656%) linmin: converged after 3 iterations. iteration 152: trace = 2.65397073580476 (0.000111655% change) linmin: converged after 3 iterations. iteration 153: trace = 2.653968437943291 (8.65821e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 2.653966790958189 (6.20575e-05% change) large trace change predicted (0.000206077%) linmin: converged after 5 iterations. iteration 155: trace = 2.653961321414043 (0.00020609% change) linmin: converged after 3 iterations. iteration 156: trace = 2.653959586308098 (6.5378e-05% change) large trace change predicted (0.000249099%) linmin: converged after 4 iterations. iteration 157: trace = 2.653952975410349 (0.000249096% change) linmin: converged after 4 iterations. iteration 158: trace = 2.653947557440701 (0.000204147% change) linmin: converged after 3 iterations. iteration 159: trace = 2.653944316216653 (0.000122128% change) large trace change predicted (0.000321194%) linmin: converged after 4 iterations. iteration 160: trace = 2.653935789769726 (0.000321275% change) linmin: converged after 4 iterations. iteration 161: trace = 2.653926974756279 (0.000332149% change) linmin: converged after 4 iterations. iteration 162: trace = 2.653925366529978 (6.0598e-05% change) large trace change predicted (0.000210672%) linmin: converged after 4 iterations. iteration 163: trace = 2.653919774884092 (0.000210694% change) linmin: converged after 4 iterations. iteration 164: trace = 2.653917952098645 (6.86828e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.653915878528639 (7.81324e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.653913457863796 (9.12111e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.653912728937688 (2.74661e-05% change) large trace change predicted (0.000100225%) linmin: converged after 5 iterations. iteration 168: trace = 2.653910068832205 (0.000100233% change) linmin: converged after 4 iterations. iteration 169: trace = 2.653908236923407 (6.90268e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.653907655542546 (2.19066e-05% change) large trace change predicted (7.38394e-05%) linmin: converged after 8 iterations. iteration 171: trace = 2.653905696182572 (7.38293e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.653904101524922 (6.00872e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.65390359935577 (1.89219e-05% change) large trace change predicted (6.97395e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.653901748740724 (6.97318e-05% change) linmin: converged after 7 iterations. iteration 175: trace = 2.653900309093713 (5.42464e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.653899661043319 (2.44188e-05% change) large trace change predicted (8.21436e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.653897481265382 (8.21349e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.65389478450565 (0.000101615% change) linmin: converged after 3 iterations. iteration 179: trace = 2.653893725850911 (3.98906e-05% change) large trace change predicted (0.000173259%) linmin: converged after 4 iterations. iteration 180: trace = 2.653889127603079 (0.000173264% change) linmin: converged after 3 iterations. iteration 181: trace = 2.653888302725084 (3.10819e-05% change) large trace change predicted (9.92913e-05%) linmin: converged after 5 iterations. iteration 182: trace = 2.653885667431768 (9.92994e-05% change) linmin: converged after 4 iterations. iteration 183: trace = 2.653883594961416 (7.8092e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.653882451031205 (4.3104e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.653880513738066 (7.29985e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.653880029985519 (1.82281e-05% change) linmin: converged after 2 iterations. iteration 187: trace = 2.653879272951855 (2.85255e-05% change) linmin: converged after 4 iterations. iteration 188: trace = 2.653878603134779 (2.52392e-05% change) linmin: converged after 3 iterations. iteration 189: trace = 2.653878402301266 (7.56755e-06% change) large trace change predicted (1.8864e-05%) linmin: converged after 3 iterations. iteration 190: trace = 2.653877901679897 (1.88638e-05% change) linmin: converged after 4 iterations. iteration 191: trace = 2.653877422322583 (1.80625e-05% change) linmin: converged after 2 iterations. iteration 192: trace = 2.653877311013573 (4.1942e-06% change) large trace change predicted (1.21075e-05%) linmin: converged after 8 iterations. iteration 193: trace = 2.653876989698607 (1.21074e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.653876699362455 (1.09401e-05% change) linmin: converged after 4 iterations. iteration 195: trace = 2.653876504482589 (7.34322e-06% change) large trace change predicted (1.82666e-05%) linmin: converged after 3 iterations. iteration 196: trace = 2.653876019727643 (1.82659e-05% change) linmin: converged after 3 iterations. iteration 197: trace = 2.653875742474495 (1.04471e-05% change) large trace change predicted (2.56597e-05%) linmin: converged after 3 iterations. iteration 198: trace = 2.653875061536108 (2.56583e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.653874148251663 (3.44132e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.653873609274898 (2.03091e-05% change) linmin: converged after 5 iterations. iteration 201: trace = 2.653872934441708 (2.54282e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.653871896054025 (3.91273e-05% change) linmin: converged after 11 iterations. iteration 203: trace = 2.653871548124646 (1.31103e-05% change) large trace change predicted (3.26431e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.653870681752589 (3.26456e-05% change) linmin: converged after 5 iterations. iteration 205: trace = 2.653870113180877 (2.14242e-05% change) linmin: converged after 8 iterations. iteration 206: trace = 2.653869969355715 (5.41945e-06% change) large trace change predicted (1.28858e-05%) linmin: converged after 5 iterations. iteration 207: trace = 2.65386962738419 (1.28858e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.653869347066689 (1.05626e-05% change) linmin: converged after 4 iterations. iteration 209: trace = 2.653869078666865 (1.01135e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.653868929278431 (5.62908e-06% change) linmin: converged after 3 iterations. iteration 211: trace = 2.653868854720528 (2.8094e-06% change) linmin: converged after 4 iterations. iteration 212: trace = 2.653868739621619 (4.33702e-06% change) linmin: converged after 4 iterations. iteration 213: trace = 2.653868664026334 (2.84849e-06% change) large trace change predicted (6.99836e-06%) linmin: converged after 3 iterations. iteration 214: trace = 2.653868478285486 (6.99887e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.653868240868427 (8.94608e-06% change) linmin: converged after 3 iterations. iteration 216: trace = 2.653868168188466 (2.73864e-06% change) large trace change predicted (1.06412e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.653867885773913 (1.06416e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.653867629580051 (9.6536e-06% change) linmin: converged after 4 iterations. iteration 219: trace = 2.6538674425532 (7.04733e-06% change) large trace change predicted (1.43941e-05%) linmin: converged after 2 iterations. iteration 220: trace = 2.653867060548923 (1.43942e-05% change) linmin: converged after 5 iterations. iteration 221: trace = 2.653866955046615 (3.97542e-06% change) large trace change predicted (1.13656e-05%) linmin: converged after 2 iterations. iteration 222: trace = 2.65386665341414 (1.13658e-05% change) linmin: converged after 2 iterations. iteration 223: trace = 2.65386635665272 (1.11822e-05% change) linmin: converged after 2 iterations. iteration 224: trace = 2.653866275659121 (3.05191e-06% change) large trace change predicted (6.7759e-06%) linmin: converged after 8 iterations. iteration 225: trace = 2.653866095841 (6.7757e-06% change) linmin: converged after 3 iterations. iteration 226: trace = 2.653865950839495 (5.46378e-06% change) linmin: converged after 16 iterations. iteration 227: trace = 2.653865911375441 (1.48704e-06% change) large trace change predicted (5.25307e-06%) linmin: converged after 8 iterations. iteration 228: trace = 2.653865771971354 (5.25287e-06% change) linmin: converged after 30 iterations. iteration 229: trace = 2.653865714385018 (2.1699e-06% change) linmin: converged after 12 iterations. iteration 230: trace = 2.653865636870298 (2.92082e-06% change) linmin: converged after 3 iterations. iteration 231: trace = 2.653865565556158 (2.68718e-06% change) linmin: converged after 8 iterations. iteration 232: trace = 2.653865524729734 (1.53838e-06% change) linmin: converged after 4 iterations. iteration 233: trace = 2.653865447933593 (2.89375e-06% change) linmin: converged after 3 iterations. iteration 234: trace = 2.653865309756233 (5.20665e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 2.653865266341062 (1.63592e-06% change) large trace change predicted (5.70743e-06%) linmin: converged after 7 iterations. iteration 236: trace = 2.65386511487547 (5.70736e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.653864885071656 (8.65921e-06% change) linmin: converged after 4 iterations. iteration 238: trace = 2.653864825211013 (2.2556e-06% change) large trace change predicted (1.44429e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.653864441923401 (1.44426e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.653864126069366 (1.19017e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.653864012362174 (4.28459e-06% change) large trace change predicted (9.19425e-06%) linmin: converged after 2 iterations. iteration 242: trace = 2.653863768346315 (9.19474e-06% change) linmin: converged after 13 iterations. iteration 243: trace = 2.653863532230602 (8.89706e-06% change) linmin: converged after 2 iterations. iteration 244: trace = 2.653863422465232 (4.13606e-06% change) linmin: converged after 3 iterations. iteration 245: trace = 2.653863204777629 (8.20267e-06% change) linmin: converged after 2 iterations. iteration 246: trace = 2.653863147350654 (2.1639e-06% change) large trace change predicted (6.36488e-06%) linmin: converged after 2 iterations. iteration 247: trace = 2.653862978430967 (6.36505e-06% change) linmin: converged after 2 iterations. iteration 248: trace = 2.653862840031454 (5.21502e-06% change) linmin: converged after 5 iterations. iteration 249: trace = 2.653862795682846 (1.6711e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.653862736730642 (2.22137e-06% change) linmin: converged after 4 iterations. iteration 251: trace = 2.653862665750763 (2.67459e-06% change) linmin: converged after 3 iterations. iteration 252: trace = 2.653862644330882 (8.07121e-07% change) large trace change predicted (1.69537e-06%) linmin: converged after 7 iterations. iteration 253: trace = 2.653862599339077 (1.69533e-06% change) linmin: converged after 3 iterations. iteration 254: trace = 2.653862557331928 (1.58287e-06% change) linmin: converged after 3 iterations. iteration 255: trace = 2.653862542110703 (5.7355e-07% change) large trace change predicted (2.41703e-06%) linmin: converged after 3 iterations. iteration 256: trace = 2.653862477967833 (2.41696e-06% change) linmin: converged after 3 iterations. iteration 257: trace = 2.653862429244086 (1.83596e-06% change) linmin: converged after 3 iterations. iteration 258: trace = 2.653862355632653 (2.77375e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 2.653862240713912 (4.33025e-06% change) linmin: converged after 23 iterations. iteration 260: trace = 2.653862203252502 (1.41158e-06% change) large trace change predicted (3.1063e-06%) linmin: converged after 11 iterations. iteration 261: trace = 2.653862120817853 (3.10621e-06% change) linmin: converged after 22 iterations. iteration 262: trace = 2.653862016477676 (3.93164e-06% change) linmin: converged after 2 iterations. iteration 263: trace = 2.653861991572831 (9.38438e-07% change) large trace change predicted (3.48193e-06%) linmin: converged after 2 iterations. iteration 264: trace = 2.653861899166083 (3.48197e-06% change) linmin: converged after 4 iterations. iteration 265: trace = 2.653861840486549 (2.2111e-06% change) linmin: converged after 10 iterations. iteration 266: trace = 2.653861814272776 (9.8776e-07% change) large trace change predicted (2.04508e-06%) linmin: converged after 5 iterations. iteration 267: trace = 2.653861759999947 (2.04505e-06% change) linmin: converged after 2 iterations. iteration 268: trace = 2.653861729712912 (1.14124e-06% change) linmin: converged after 7 iterations. iteration 269: trace = 2.653861713877479 (5.96694e-07% change) linmin: converged after 4 iterations. iteration 270: trace = 2.653861685810446 (1.05759e-06% change) linmin: converged after 9 iterations. iteration 271: trace = 2.653861676306803 (3.58106e-07% change) linmin: converged after 2 iterations. iteration 272: trace = 2.653861664510934 (4.44479e-07% change) linmin: converged after 2 iterations. iteration 273: trace = 2.653861651288211 (4.98245e-07% change) linmin: converged after 3 iterations. iteration 274: trace = 2.653861645654054 (2.123e-07% change) linmin: converged after 9 iterations. iteration 275: trace = 2.653861637341998 (3.13206e-07% change) linmin: converged after 2 iterations. iteration 276: trace = 2.653861624091749 (4.99282e-07% change) linmin: converged after 9 iterations. iteration 277: trace = 2.653861619920205 (1.57188e-07% change) large trace change predicted (3.58256e-07%) linmin: converged after 7 iterations. iteration 278: trace = 2.653861610412518 (3.58259e-07% change) large trace change predicted (1.10295e-06%) linmin: converged after 3 iterations. iteration 279: trace = 2.653861581142976 (1.1029e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.653861568519023 (4.75682e-07% change) linmin: converged after 2 iterations. iteration 281: trace = 2.653861552923175 (5.87666e-07% change) linmin: converged after 3 iterations. iteration 282: trace = 2.653861550081947 (1.0706e-07% change) large trace change predicted (3.89619e-07%) linmin: converged after 2 iterations. iteration 283: trace = 2.653861539741979 (3.8962e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 2.653861531354648 (3.16043e-07% change) linmin: converged after 2 iterations. iteration 285: trace = 2.65386152881386 (9.57393e-08% change) large trace change predicted (4.06609e-07%) linmin: converged after 4 iterations. iteration 286: trace = 2.653861518023042 (4.06608e-07% change) linmin: converged after 2 iterations. iteration 287: trace = 2.653861510104847 (2.98365e-07% change) linmin: converged after 2 iterations. iteration 288: trace = 2.653861504210941 (2.22088e-07% change) large trace change predicted (4.8236e-07%) linmin: converged after 3 iterations. iteration 289: trace = 2.653861491409842 (4.82357e-07% change) linmin: converged after 30 iterations. iteration 290: trace = 2.653861478284371 (4.9458e-07% change) linmin: converged after 3 iterations. iteration 291: trace = 2.653861467601732 (4.02532e-07% change) large trace change predicted (9.49786e-07%) linmin: converged after 2 iterations. iteration 292: trace = 2.653861442395627 (9.4979e-07% change) linmin: converged after 3 iterations. iteration 293: trace = 2.653861432703633 (3.65203e-07% change) large trace change predicted (9.25801e-07%) linmin: converged after 2 iterations. iteration 294: trace = 2.653861408134078 (9.25804e-07% change) linmin: converged after 4 iterations. iteration 295: trace = 2.653861380954655 (1.02415e-06% change) linmin: converged after 2 iterations. iteration 296: trace = 2.653861370695237 (3.86585e-07% change) large trace change predicted (9.44367e-07%) linmin: converged after 22 iterations. iteration 297: trace = 2.653861345633382 (9.44354e-07% change) linmin: converged after 2 iterations. iteration 298: trace = 2.653861318083348 (1.03811e-06% change) linmin: converged after 23 iterations. iteration 299: trace = 2.653861309051124 (3.40343e-07% change) large trace change predicted (1.07811e-06%) linmin: converged after 3 iterations. iteration 300: trace = 2.653861280439376 (1.07812e-06% change) linmin: converged after 6 iterations. iteration 301: trace = 2.653861270422227 (3.77456e-07% change) linmin: converged after 5 iterations. iteration 302: trace = 2.653861257326721 (4.93451e-07% change) linmin: converged after 7 iterations. iteration 303: trace = 2.65386123993884 (6.55192e-07% change) linmin: converged after 5 iterations. iteration 304: trace = 2.653861237092904 (1.07238e-07% change) large trace change predicted (4.3725e-07%) linmin: converged after 2 iterations. iteration 305: trace = 2.653861225488783 (4.37254e-07% change) linmin: converged after 16 iterations. iteration 306: trace = 2.653861218875002 (2.49214e-07% change) linmin: converged after 4 iterations. iteration 307: trace = 2.653861216125898 (1.03589e-07% change) large trace change predicted (3.37229e-07%) linmin: converged after 4 iterations. iteration 308: trace = 2.653861207176281 (3.3723e-07% change) linmin: converged after 2 iterations. iteration 309: trace = 2.653861195835507 (4.27331e-07% change) linmin: converged after 4 iterations. iteration 310: trace = 2.653861185390587 (3.93574e-07% change) linmin: converged after 20 iterations. iteration 311: trace = 2.653861181517468 (1.45943e-07% change) large trace change predicted (4.49566e-07%) linmin: converged after 12 iterations. iteration 312: trace = 2.653861169586719 (4.49562e-07% change) linmin: converged after 3 iterations. iteration 313: trace = 2.653861159056564 (3.96786e-07% change) linmin: converged after 4 iterations. iteration 314: trace = 2.653861150358439 (3.27754e-07% change) linmin: converged after 9 iterations. iteration 315: trace = 2.653861134494232 (5.97778e-07% change) linmin: converged after 6 iterations. iteration 316: trace = 2.653861129798115 (1.76954e-07% change) large trace change predicted (5.85662e-07%) linmin: converged after 2 iterations. iteration 317: trace = 2.653861114255452 (5.85662e-07% change) linmin: converged after 4 iterations. iteration 318: trace = 2.653861101105498 (4.95503e-07% change) linmin: converged after 7 iterations. iteration 319: trace = 2.653861097243125 (1.45538e-07% change) large trace change predicted (4.93621e-07%) linmin: converged after 2 iterations. iteration 320: trace = 2.653861084143064 (4.93623e-07% change) linmin: converged after 4 iterations. iteration 321: trace = 2.65386107569902 (3.1818e-07% change) linmin: converged after 3 iterations. iteration 322: trace = 2.65386106993409 (2.17228e-07% change) linmin: converged after 10 iterations. iteration 323: trace = 2.653861063492937 (2.42709e-07% change) linmin: converged after 6 iterations. iteration 324: trace = 2.653861060759012 (1.03017e-07% change) linmin: converged after 4 iterations. iteration 325: trace = 2.65386105919477 (5.89421e-08% change) linmin: converged after 3 iterations. iteration 326: trace = 2.653861056255077 (1.1077e-07% change) linmin: converged after 3 iterations. iteration 327: trace = 2.653861055133477 (4.22629e-08% change) linmin: converged after 3 iterations. iteration 328: trace = 2.653861053319638 (6.83472e-08% change) linmin: converged after 3 iterations. iteration 329: trace = 2.653861051562423 (6.62135e-08% change) linmin: converged after 4 iterations. iteration 330: trace = 2.653861050695187 (3.26783e-08% change) large trace change predicted (7.69361e-08%) linmin: converged after 2 iterations. iteration 331: trace = 2.65386104865341 (7.69361e-08% change) linmin: converged after 6 iterations. iteration 332: trace = 2.653861046058223 (9.77891e-08% change) linmin: converged after 7 iterations. iteration 333: trace = 2.65386104531301 (2.80803e-08% change) large trace change predicted (1.40742e-07%) linmin: converged after 4 iterations. iteration 334: trace = 2.653861041577919 (1.40742e-07% change) linmin: converged after 3 iterations. iteration 335: trace = 2.653861040199561 (5.19379e-08% change) large trace change predicted (1.39089e-07%) linmin: converged after 2 iterations. iteration 336: trace = 2.653861036508313 (1.3909e-07% change) linmin: converged after 3 iterations. iteration 337: trace = 2.653861031266001 (1.97535e-07% change) linmin: converged after 3 iterations. iteration 338: trace = 2.653861027833178 (1.29352e-07% change) linmin: converged after 4 iterations. iteration 339: trace = 2.653861026543587 (4.8593e-08% change) large trace change predicted (1.67193e-07%) linmin: converged after 2 iterations. iteration 340: trace = 2.653861022106503 (1.67194e-07% change) linmin: converged after 2 iterations. iteration 341: trace = 2.653861019531463 (9.703e-08% change) linmin: converged after 2 iterations. iteration 342: trace = 2.653861018135178 (5.26133e-08% change) linmin: converged after 12 iterations. iteration 343: trace = 2.653861016177038 (7.37846e-08% change) linmin: converged after 2 iterations. iteration 344: trace = 2.653861014648154 (5.76098e-08% change) linmin: converged after 4 iterations. iteration 345: trace = 2.653861013532381 (4.20434e-08% change) linmin: converged after 6 iterations. iteration 346: trace = 2.653861011643799 (7.11635e-08% change) linmin: converged after 22 iterations. iteration 347: trace = 2.653861011277629 (1.37976e-08% change) large trace change predicted (4.42078e-08%) linmin: converged after 4 iterations. iteration 348: trace = 2.653861010104421 (4.42076e-08% change) linmin: converged after 33 iterations. iteration 349: trace = 2.653861008396412 (6.43594e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.653861007754014 (2.42062e-08% change) linmin: converged after 8 iterations. iteration 351: trace = 2.653861006535373 (4.59195e-08% change) linmin: converged after 4 iterations. iteration 352: trace = 2.653861006230148 (1.15012e-08% change) large trace change predicted (2.70606e-08%) linmin: converged after 4 iterations. iteration 353: trace = 2.653861005511998 (2.70606e-08% change) linmin: converged after 2 iterations. iteration 354: trace = 2.653861004289522 (4.6064e-08% change) linmin: converged after 3 iterations. iteration 355: trace = 2.653861003843425 (1.68094e-08% change) large trace change predicted (5.15511e-08%) linmin: converged after 3 iterations. iteration 356: trace = 2.65386100247533 (5.15511e-08% change) linmin: converged after 3 iterations. iteration 357: trace = 2.653861000928064 (5.83025e-08% change) linmin: converged after 2 iterations. iteration 358: trace = 2.653861000299797 (2.36737e-08% change) large trace change predicted (7.03634e-08%) linmin: converged after 4 iterations. iteration 359: trace = 2.653860998432446 (7.03635e-08% change) linmin: converged after 2 iterations. iteration 360: trace = 2.653860996431212 (7.54084e-08% change) linmin: converged after 31 iterations. iteration 361: trace = 2.653860995858524 (2.15794e-08% change) large trace change predicted (7.98723e-08%) linmin: converged after 3 iterations. iteration 362: trace = 2.653860993738825 (7.98723e-08% change) linmin: converged after 3 iterations. iteration 363: trace = 2.653860991674018 (7.78039e-08% change) linmin: converged after 4 iterations. iteration 364: trace = 2.653860991143573 (1.99877e-08% change) large trace change predicted (6.45968e-08%) linmin: converged after 3 iterations. iteration 365: trace = 2.653860989429274 (6.45964e-08% change) linmin: converged after 3 iterations. iteration 366: trace = 2.653860988471134 (3.61036e-08% change) linmin: converged after 20 iterations. iteration 367: trace = 2.653860988073512 (1.49828e-08% change) large trace change predicted (3.7511e-08%) linmin: converged after 3 iterations. iteration 368: trace = 2.653860987078027 (3.75108e-08% change) linmin: converged after 3 iterations. iteration 369: trace = 2.653860986528396 (2.07106e-08% change) linmin: converged after 21 iterations. iteration 370: trace = 2.653860986091291 (1.64705e-08% change) linmin: converged after 23 iterations. iteration 371: trace = 2.653860985561272 (1.99716e-08% change) linmin: converged after 29 iterations. iteration 372: trace = 2.653860985383989 (6.68016e-09% change) large trace change predicted (1.83114e-08%) linmin: converged after 8 iterations. iteration 373: trace = 2.653860984898031 (1.83114e-08% change) linmin: converged after 3 iterations. iteration 374: trace = 2.653860983994281 (3.40542e-08% change) linmin: converged after 27 iterations. iteration 375: trace = 2.653860983793793 (7.55456e-09% change) large trace change predicted (3.92558e-08%) linmin: converged after 17 iterations. iteration 376: trace = 2.653860982751998 (3.92558e-08% change) linmin: converged after 3 iterations. iteration 377: trace = 2.653860981700241 (3.96312e-08% change) linmin: converged after 3 iterations. iteration 378: trace = 2.653860981342773 (1.34697e-08% change) large trace change predicted (7.87387e-08%) linmin: converged after 2 iterations. iteration 379: trace = 2.653860979253156 (7.87387e-08% change) linmin: converged after 4 iterations. iteration 380: trace = 2.653860977426804 (6.88187e-08% change) linmin: converged after 31 iterations. iteration 381: trace = 2.653860976150081 (4.81081e-08% change) linmin: converged after 2 iterations. iteration 382: trace = 2.653860975561217 (2.2189e-08% change) large trace change predicted (6.88371e-08%) linmin: converged after 2 iterations. iteration 383: trace = 2.653860973734375 (6.88371e-08% change) linmin: converged after 4 iterations. iteration 384: trace = 2.653860973144445 (2.22291e-08% change) large trace change predicted (4.78977e-08%) linmin: converged after 3 iterations. iteration 385: trace = 2.653860971873308 (4.78976e-08% change) linmin: converged after 18 iterations. iteration 386: trace = 2.653860970464415 (5.30884e-08% change) linmin: converged after 4 iterations. iteration 387: trace = 2.653860970196491 (1.00956e-08% change) large trace change predicted (2.94344e-08%) linmin: converged after 2 iterations. iteration 388: trace = 2.653860969415343 (2.94344e-08% change) linmin: converged after 6 iterations. iteration 389: trace = 2.653860969163304 (9.4971e-09% change) linmin: converged after 3 iterations. iteration 390: trace = 2.653860968721931 (1.66313e-08% change) linmin: converged after 19 iterations. iteration 391: trace = 2.653860968230719 (1.85093e-08% change) linmin: converged after 4 iterations. iteration 392: trace = 2.653860967829862 (1.51046e-08% change) linmin: converged after 13 iterations. iteration 393: trace = 2.65386096771474 (4.33791e-09% change) large trace change predicted (1.12064e-08%) linmin: converged after 21 iterations. iteration 394: trace = 2.653860967417339 (1.12064e-08% change) linmin: converged after 4 iterations. iteration 395: trace = 2.653860967038607 (1.4271e-08% change) linmin: converged after 8 iterations. iteration 396: trace = 2.653860966876808 (6.09674e-09% change) large trace change predicted (1.97519e-08%) linmin: converged after 6 iterations. iteration 397: trace = 2.653860966352622 (1.97518e-08% change) linmin: converged after 2 iterations. iteration 398: trace = 2.653860965948724 (1.52193e-08% change) linmin: converged after 22 iterations. iteration 399: trace = 2.653860965594904 (1.33323e-08% change) linmin: converged after 13 iterations. iteration 400: trace = 2.653860965067367 (1.98781e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.653860964527554 (2.03407e-08% change) linmin: converged after 4 iterations. iteration 402: trace = 2.653860964359456 (6.33409e-09% change) large trace change predicted (2.74226e-08%) linmin: converged after 14 iterations. iteration 403: trace = 2.653860963631696 (2.74227e-08% change) linmin: converged after 5 iterations. iteration 404: trace = 2.653860963365124 (1.00447e-08% change) linmin: converged after 2 iterations. iteration 405: trace = 2.653860963154491 (7.93685e-09% change) large trace change predicted (1.78088e-08%) linmin: converged after 4 iterations. iteration 406: trace = 2.653860962681867 (1.78089e-08% change) linmin: converged after 6 iterations. iteration 407: trace = 2.653860962585241 (3.64095e-09% change) large trace change predicted (1.08445e-08%) linmin: converged after 7 iterations. iteration 408: trace = 2.653860962297444 (1.08444e-08% change) linmin: converged after 3 iterations. iteration 409: trace = 2.653860962043317 (9.57574e-09% change) linmin: converged after 15 iterations. iteration 410: trace = 2.653860961998546 (1.68702e-09% change) large trace change predicted (6.55028e-09%) linmin: converged after 6 iterations. iteration 411: trace = 2.653860961824712 (6.55022e-09% change) linmin: converged after 4 iterations. iteration 412: trace = 2.653860961729741 (3.57862e-09% change) linmin: converged after 7 iterations. iteration 413: trace = 2.653860961681473 (1.81877e-09% change) large trace change predicted (4.09145e-09%) linmin: converged after 16 iterations. iteration 414: trace = 2.65386096157289 (4.09152e-09% change) linmin: converged after 4 iterations. iteration 415: trace = 2.653860961525542 (1.78411e-09% change) linmin: converged after 6 iterations. iteration 416: trace = 2.653860961441487 (3.16725e-09% change) linmin: converged after 15 iterations. iteration 417: trace = 2.653860961369957 (2.69531e-09% change) linmin: converged after 7 iterations. iteration 418: trace = 2.653860961265035 (3.95359e-09% change) linmin: converged after 5 iterations. iteration 419: trace = 2.653860961233102 (1.20325e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.65386096120336 (1.12069e-09% change) large trace change predicted (3.0261e-09%) linmin: converged after 5 iterations. iteration 421: trace = 2.653860961123051 (3.02612e-09% change) linmin: converged after 6 iterations. iteration 422: trace = 2.653860961055666 (2.53916e-09% change) linmin: converged after 14 iterations. iteration 423: trace = 2.653860961002318 (2.01019e-09% change) linmin: converged after 3 iterations. iteration 424: trace = 2.65386096095672 (1.71817e-09% change) linmin: converged after 4 iterations. iteration 425: trace = 2.653860960878584 (2.94426e-09% change) linmin: converged after 4 iterations. iteration 426: trace = 2.653860960854664 (9.01311e-10% change) large trace change predicted (3.79323e-09%) linmin: converged after 15 iterations. iteration 427: trace = 2.653860960753998 (3.79321e-09% change) linmin: converged after 13 iterations. iteration 428: trace = 2.653860960664026 (3.3902e-09% change) linmin: converged after 4 iterations. iteration 429: trace = 2.653860960621721 (1.59412e-09% change) large trace change predicted (6.53699e-09%) linmin: converged after 12 iterations. iteration 430: trace = 2.653860960448237 (6.53704e-09% change) linmin: converged after 3 iterations. iteration 431: trace = 2.653860960384427 (2.40443e-09% change) large trace change predicted (5.68384e-09%) linmin: converged after 3 iterations. iteration 432: trace = 2.653860960233586 (5.68382e-09% change) linmin: converged after 2 iterations. iteration 433: trace = 2.653860960021614 (7.98731e-09% change) linmin: converged after 16 iterations. iteration 434: trace = 2.653860959944636 (2.9006e-09% change) large trace change predicted (5.95357e-09%) linmin: converged after 2 iterations. iteration 435: trace = 2.653860959786638 (5.95348e-09% change) linmin: converged after 18 iterations. iteration 436: trace = 2.653860959587209 (7.51469e-09% change) linmin: converged after 6 iterations. iteration 437: trace = 2.653860959529844 (2.16158e-09% change) large trace change predicted (7.98842e-09%) linmin: converged after 4 iterations. iteration 438: trace = 2.65386095931784 (7.9885e-09% change) linmin: converged after 3 iterations. iteration 439: trace = 2.653860959204592 (4.26731e-09% change) linmin: converged after 8 iterations. iteration 440: trace = 2.653860959125839 (2.96747e-09% change) linmin: converged after 19 iterations. iteration 441: trace = 2.653860958990546 (5.09797e-09% change) linmin: converged after 6 iterations. iteration 442: trace = 2.653860958928653 (2.33219e-09% change) linmin: converged after 14 iterations. iteration 443: trace = 2.653860958835818 (3.49811e-09% change) linmin: converged after 22 iterations. iteration 444: trace = 2.653860958739894 (3.61451e-09% change) linmin: converged after 4 iterations. iteration 445: trace = 2.653860958691338 (1.82961e-09% change) linmin: converged after 10 iterations. iteration 446: trace = 2.653860958669929 (8.06732e-10% change) large trace change predicted (3.09935e-09%) linmin: converged after 15 iterations. iteration 447: trace = 2.653860958587675 (3.09938e-09% change) linmin: converged after 9 iterations. iteration 448: trace = 2.653860958526129 (2.31914e-09% change) linmin: converged after 5 iterations. iteration 449: trace = 2.653860958498604 (1.03714e-09% change) large trace change predicted (2.66022e-09%) linmin: converged after 16 iterations. iteration 450: trace = 2.653860958428007 (2.66019e-09% change) linmin: converged after 19 iterations. iteration 451: trace = 2.65386095832999 (3.69336e-09% change) linmin: converged after 4 iterations. iteration 452: trace = 2.653860958244165 (3.23397e-09% change) linmin: converged after 21 iterations. iteration 453: trace = 2.65386095817442 (2.62804e-09% change) linmin: converged after 4 iterations. iteration 454: trace = 2.653860958047139 (4.79608e-09% change) linmin: converged after 3 iterations. iteration 455: trace = 2.653860958009575 (1.41544e-09% change) large trace change predicted (4.03173e-09%) linmin: converged after 9 iterations. iteration 456: trace = 2.653860957902578 (4.03175e-09% change) linmin: converged after 16 iterations. iteration 457: trace = 2.653860957804056 (3.71242e-09% change) linmin: converged after 6 iterations. iteration 458: trace = 2.653860957777444 (1.00273e-09% change) large trace change predicted (3.00003e-09%) linmin: converged after 4 iterations. iteration 459: trace = 2.653860957697827 (3.00005e-09% change) linmin: converged after 3 iterations. iteration 460: trace = 2.653860957604774 (3.50633e-09% change) linmin: converged after 10 iterations. iteration 461: trace = 2.65386095759052 (5.37118e-10% change) large trace change predicted (1.62956e-09%) linmin: converged after 3 iterations. iteration 462: trace = 2.653860957547272 (1.62961e-09% change) linmin: converged after 3 iterations. iteration 463: trace = 2.653860957508931 (1.44474e-09% change) linmin: converged after 14 iterations. iteration 464: trace = 2.653860957501165 (2.92606e-10% change) large trace change predicted (1.00201e-09%) linmin: converged after 4 iterations. iteration 465: trace = 2.653860957474572 (1.00208e-09% change) linmin: converged after 7 iterations. iteration 466: trace = 2.653860957459918 (5.52145e-10% change) linmin: converged after 15 iterations. iteration 467: trace = 2.653860957450697 (3.47459e-10% change) linmin: converged after 5 iterations. iteration 468: trace = 2.653860957437653 (4.91536e-10% change) linmin: converged after 6 iterations. iteration 469: trace = 2.653860957429698 (2.99751e-10% change) linmin: converged after 6 iterations. iteration 470: trace = 2.653860957415155 (5.47979e-10% change) linmin: converged after 2 iterations. iteration 471: trace = 2.653860957395375 (7.45336e-10% change) linmin: converged after 9 iterations. iteration 472: trace = 2.653860957389842 (2.08485e-10% change) large trace change predicted (9.08118e-10%) linmin: converged after 6 iterations. iteration 473: trace = 2.653860957365741 (9.08155e-10% change) linmin: converged after 3 iterations. iteration 474: trace = 2.653860957341259 (9.22512e-10% change) linmin: converged after 6 iterations. iteration 475: trace = 2.653860957332617 (3.25638e-10% change) large trace change predicted (1.53152e-09%) linmin: converged after 6 iterations. iteration 476: trace = 2.653860957291968 (1.53169e-09% change) linmin: converged after 3 iterations. iteration 477: trace = 2.653860957263744 (1.06351e-09% change) linmin: converged after 5 iterations. iteration 478: trace = 2.653860957229201 (1.30161e-09% change) linmin: converged after 4 iterations. iteration 479: trace = 2.653860957221559 (2.87954e-10% change) large trace change predicted (9.55324e-10%) linmin: converged after 4 iterations. iteration 480: trace = 2.653860957196203 (9.55444e-10% change) linmin: converged after 6 iterations. iteration 481: trace = 2.653860957171275 (9.39279e-10% change) linmin: converged after 3 iterations. iteration 482: trace = 2.653860957165084 (2.33301e-10% change) large trace change predicted (8.92355e-10%) linmin: converged after 4 iterations. iteration 483: trace = 2.653860957141402 (8.92358e-10% change) linmin: converged after 13 iterations. iteration 484: trace = 2.653860957132954 (3.18325e-10% change) linmin: converged after 3 iterations. iteration 485: trace = 2.65386095712573 (2.72207e-10% change) linmin: converged after 5 iterations. iteration 486: trace = 2.653860957117032 (3.27763e-10% change) linmin: converged after 7 iterations. iteration 487: trace = 2.65386095711466 (8.93747e-11% change) Finished solving for bands 1 to 10 after 487 iterations. tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323 elapsed time for k point: 11.265194416046143 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.767191359900659 (3.67887% change) linmin: converged after 6 iterations. iteration 2: trace = 2.669057064223724 (3.61037% change) linmin: converged after 5 iterations. iteration 3: trace = 2.6036257943754 (2.4819% change) linmin: converged after 4 iterations. iteration 4: trace = 2.589397473453344 (0.547978% change) linmin: converged after 11 iterations. iteration 5: trace = 2.564425798223957 (0.969054% change) linmin: converged after 4 iterations. iteration 6: trace = 2.56227099255405 (0.0840621% change) large trace change predicted (0.183586%) linmin: converged after 4 iterations. iteration 7: trace = 2.557519451191472 (0.185615% change) linmin: converged after 4 iterations. iteration 8: trace = 2.553381147519061 (0.16194% change) linmin: converged after 4 iterations. iteration 9: trace = 2.551758112059498 (0.0635844% change) linmin: converged after 4 iterations. iteration 10: trace = 2.548676087501944 (0.120853% change) linmin: converged after 4 iterations. iteration 11: trace = 2.547042194197328 (0.0641281% change) linmin: converged after 4 iterations. iteration 12: trace = 2.545109356631263 (0.0759144% change) linmin: converged after 4 iterations. iteration 13: trace = 2.543744816460272 (0.0536286% change) linmin: converged after 4 iterations. iteration 14: trace = 2.543493514467712 (0.0098797% change) large trace change predicted (0.0326856%) linmin: converged after 4 iterations. iteration 15: trace = 2.542654794913648 (0.0329805% change) linmin: converged after 3 iterations. iteration 16: trace = 2.542233369303156 (0.0165756% change) linmin: converged after 3 iterations. iteration 17: trace = 2.54198941747568 (0.00959643% change) large trace change predicted (0.0296921%) linmin: converged after 4 iterations. iteration 18: trace = 2.541222802269298 (0.0301626% change) linmin: converged after 3 iterations. iteration 19: trace = 2.540916664973665 (0.0120476% change) linmin: converged after 4 iterations. iteration 20: trace = 2.540420029329066 (0.0195474% change) linmin: converged after 3 iterations. iteration 21: trace = 2.540069529024041 (0.0137979% change) linmin: converged after 4 iterations. iteration 22: trace = 2.539913073190493 (0.0061597% change) large trace change predicted (0.0132669%) linmin: converged after 3 iterations. iteration 23: trace = 2.539574117819785 (0.013346% change) linmin: converged after 3 iterations. iteration 24: trace = 2.53932004151427 (0.0100052% change) linmin: converged after 3 iterations. iteration 25: trace = 2.539190024559254 (0.00512028% change) large trace change predicted (0.0109152%) linmin: converged after 3 iterations. iteration 26: trace = 2.538911967599464 (0.0109512% change) linmin: converged after 3 iterations. iteration 27: trace = 2.538826425514922 (0.0033693% change) large trace change predicted (0.00728319%) linmin: converged after 3 iterations. iteration 28: trace = 2.538640782043356 (0.00731244% change) linmin: converged after 3 iterations. iteration 29: trace = 2.538415985022709 (0.00885541% change) linmin: converged after 4 iterations. iteration 30: trace = 2.538329548016399 (0.00340521% change) large trace change predicted (0.0126402%) linmin: converged after 5 iterations. iteration 31: trace = 2.538007524605835 (0.0126872% change) linmin: converged after 3 iterations. iteration 32: trace = 2.537917134122857 (0.00356154% change) large trace change predicted (0.011859%) linmin: converged after 4 iterations. iteration 33: trace = 2.53761538877912 (0.0118902% change) linmin: converged after 9 iterations. iteration 34: trace = 2.537446537580793 (0.00665415% change) linmin: converged after 4 iterations. iteration 35: trace = 2.53733737654493 (0.0043021% change) large trace change predicted (0.010611%) linmin: converged after 3 iterations. iteration 36: trace = 2.537067938271674 (0.0106195% change) linmin: converged after 3 iterations. iteration 37: trace = 2.536999338605757 (0.00270393% change) large trace change predicted (0.0111008%) linmin: converged after 6 iterations. iteration 38: trace = 2.536717301342011 (0.0111176% change) linmin: converged after 4 iterations. iteration 39: trace = 2.536633649504292 (0.0032977% change) linmin: converged after 3 iterations. iteration 40: trace = 2.536477740090534 (0.0061465% change) linmin: converged after 3 iterations. iteration 41: trace = 2.536329147050624 (0.00585842% change) linmin: converged after 3 iterations. iteration 42: trace = 2.536150129902496 (0.00705837% change) linmin: converged after 3 iterations. iteration 43: trace = 2.535989187472811 (0.00634614% change) linmin: converged after 3 iterations. iteration 44: trace = 2.535865636101641 (0.00487204% change) linmin: converged after 3 iterations. iteration 45: trace = 2.535703129977313 (0.00640852% change) linmin: converged after 3 iterations. iteration 46: trace = 2.535652164602485 (0.00200993% change) large trace change predicted (0.00754011%) linmin: converged after 4 iterations. iteration 47: trace = 2.535461020443776 (0.00753855% change) linmin: converged after 4 iterations. iteration 48: trace = 2.535421690439817 (0.00155121% change) large trace change predicted (0.00506197%) linmin: converged after 3 iterations. iteration 49: trace = 2.535293406506491 (0.0050598% change) linmin: converged after 3 iterations. iteration 50: trace = 2.53521276212383 (0.00318092% change) linmin: converged after 4 iterations. iteration 51: trace = 2.535125004471859 (0.00346161% change) linmin: converged after 4 iterations. iteration 52: trace = 2.534950838492999 (0.00687035% change) linmin: converged after 4 iterations. iteration 53: trace = 2.534873055670356 (0.00306846% change) large trace change predicted (0.00863854%) linmin: converged after 4 iterations. iteration 54: trace = 2.534655203323289 (0.00859458% change) linmin: converged after 4 iterations. iteration 55: trace = 2.534598318427521 (0.00224431% change) large trace change predicted (0.00574944%) linmin: converged after 4 iterations. iteration 56: trace = 2.534453093072873 (0.00572988% change) linmin: converged after 4 iterations. iteration 57: trace = 2.534390064333639 (0.00248691% change) linmin: converged after 4 iterations. iteration 58: trace = 2.534330715143176 (0.00234178% change) linmin: converged after 5 iterations. iteration 59: trace = 2.534233925355487 (0.00381922% change) linmin: converged after 4 iterations. iteration 60: trace = 2.534207639918007 (0.00103722% change) large trace change predicted (0.00309781%) linmin: converged after 3 iterations. iteration 61: trace = 2.534129177793587 (0.00309617% change) linmin: converged after 4 iterations. iteration 62: trace = 2.534095627014707 (0.00132397% change) large trace change predicted (0.00285521%) linmin: converged after 4 iterations. iteration 63: trace = 2.534023338423374 (0.00285268% change) linmin: converged after 4 iterations. iteration 64: trace = 2.533957962271697 (0.00257997% change) linmin: converged after 4 iterations. iteration 65: trace = 2.533883349405139 (0.00294456% change) linmin: converged after 4 iterations. iteration 66: trace = 2.533772553908711 (0.00437265% change) linmin: converged after 4 iterations. iteration 67: trace = 2.533730619638856 (0.00165503% change) linmin: converged after 3 iterations. iteration 68: trace = 2.53365910557683 (0.00282252% change) linmin: converged after 3 iterations. iteration 69: trace = 2.533617326462081 (0.00164898% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.533588468127561 (0.00113902% change) linmin: converged after 3 iterations. iteration 71: trace = 2.533564612631144 (0.000941574% change) linmin: converged after 5 iterations. iteration 72: trace = 2.533539565827279 (0.000988604% change) linmin: converged after 3 iterations. iteration 73: trace = 2.533522851944827 (0.000659707% change) large trace change predicted (0.00183858%) linmin: converged after 3 iterations. iteration 74: trace = 2.533476190230128 (0.00184179% change) linmin: converged after 5 iterations. iteration 75: trace = 2.533464116338791 (0.000476575% change) large trace change predicted (0.0027524%) linmin: converged after 3 iterations. iteration 76: trace = 2.533394140496579 (0.0027621% change) linmin: converged after 3 iterations. iteration 77: trace = 2.533360152124861 (0.00134162% change) linmin: converged after 3 iterations. iteration 78: trace = 2.533332216909686 (0.0011027% change) large trace change predicted (0.00246271%) linmin: converged after 3 iterations. iteration 79: trace = 2.533269550951909 (0.00247369% change) linmin: converged after 4 iterations. iteration 80: trace = 2.53321757351669 (0.00205181% change) linmin: converged after 3 iterations. iteration 81: trace = 2.533191311732387 (0.0010367% change) large trace change predicted (0.00237279%) linmin: converged after 4 iterations. iteration 82: trace = 2.533130954946341 (0.00238267% change) linmin: converged after 3 iterations. iteration 83: trace = 2.533112979858068 (0.000709602% change) linmin: converged after 3 iterations. iteration 84: trace = 2.53308883005004 (0.000953369% change) linmin: converged after 3 iterations. iteration 85: trace = 2.533060203136364 (0.00113013% change) linmin: converged after 3 iterations. iteration 86: trace = 2.533052321591619 (0.000311148% change) large trace change predicted (0.000755847%) linmin: converged after 3 iterations. iteration 87: trace = 2.533033164984285 (0.000756269% change) linmin: converged after 3 iterations. iteration 88: trace = 2.533014475231882 (0.000737844% change) linmin: converged after 3 iterations. iteration 89: trace = 2.533001356101632 (0.000517927% change) linmin: converged after 5 iterations. iteration 90: trace = 2.532976196411763 (0.000993281% change) linmin: converged after 3 iterations. iteration 91: trace = 2.532972346128114 (0.000152006% change) large trace change predicted (0.000749754%) linmin: converged after 4 iterations. iteration 92: trace = 2.532953368903722 (0.000749211% change) linmin: converged after 4 iterations. iteration 93: trace = 2.53293491010202 (0.000728749% change) linmin: converged after 4 iterations. iteration 94: trace = 2.532926881902547 (0.000316953% change) large trace change predicted (0.00178242%) linmin: converged after 4 iterations. iteration 95: trace = 2.532881914444002 (0.00177533% change) linmin: converged after 4 iterations. iteration 96: trace = 2.53285830046675 (0.000932301% change) linmin: converged after 4 iterations. iteration 97: trace = 2.532819784042777 (0.00152068% change) linmin: converged after 4 iterations. iteration 98: trace = 2.532786188462793 (0.00132642% change) linmin: converged after 7 iterations. iteration 99: trace = 2.532774276665058 (0.000470305% change) large trace change predicted (0.00101682%) linmin: converged after 4 iterations. iteration 100: trace = 2.532748567800271 (0.00101505% change) linmin: converged after 4 iterations. iteration 101: trace = 2.532735567534749 (0.000513288% change) linmin: converged after 8 iterations. iteration 102: trace = 2.53272593241923 (0.000380424% change) linmin: converged after 3 iterations. iteration 103: trace = 2.532712921241087 (0.000513724% change) linmin: converged after 3 iterations. iteration 104: trace = 2.532704524689957 (0.000331525% change) linmin: converged after 3 iterations. iteration 105: trace = 2.532697408516166 (0.000280972% change) large trace change predicted (0.000634814%) linmin: converged after 3 iterations. iteration 106: trace = 2.53268133815653 (0.000634518% change) linmin: converged after 3 iterations. iteration 107: trace = 2.532678232660709 (0.000122617% change) large trace change predicted (0.00036579%) linmin: converged after 7 iterations. iteration 108: trace = 2.532668970184757 (0.000365719% change) linmin: converged after 5 iterations. iteration 109: trace = 2.5326625880607 (0.000251992% change) linmin: converged after 3 iterations. iteration 110: trace = 2.532659590556519 (0.000118354% change) large trace change predicted (0.000484599%) linmin: converged after 3 iterations. iteration 111: trace = 2.532647313475453 (0.000484752% change) linmin: converged after 10 iterations. iteration 112: trace = 2.532643041072099 (0.000168693% change) large trace change predicted (0.00119252%) linmin: converged after 3 iterations. iteration 113: trace = 2.532612820652287 (0.00119324% change) linmin: converged after 3 iterations. iteration 114: trace = 2.532592046086573 (0.000820285% change) linmin: converged after 3 iterations. iteration 115: trace = 2.532581446501127 (0.000418528% change) large trace change predicted (0.00102425%) linmin: converged after 3 iterations. iteration 116: trace = 2.532555476505645 (0.00102544% change) linmin: converged after 3 iterations. iteration 117: trace = 2.532535088789213 (0.000805029% change) linmin: converged after 3 iterations. iteration 118: trace = 2.532524446015346 (0.000420243% change) linmin: converged after 6 iterations. iteration 119: trace = 2.532503170490255 (0.000840095% change) linmin: converged after 4 iterations. iteration 120: trace = 2.532499362408514 (0.000150368% change) large trace change predicted (0.000429286%) linmin: converged after 4 iterations. iteration 121: trace = 2.532488488638697 (0.00042937% change) linmin: converged after 3 iterations. iteration 122: trace = 2.532482069110036 (0.000253487% change) linmin: converged after 7 iterations. iteration 123: trace = 2.532479968273738 (8.29557e-05% change) large trace change predicted (0.000283652%) linmin: converged after 3 iterations. iteration 124: trace = 2.532472781286882 (0.000283793% change) linmin: converged after 3 iterations. iteration 125: trace = 2.532467453403485 (0.000210383% change) linmin: converged after 3 iterations. iteration 126: trace = 2.532465630899168 (7.19656e-05% change) large trace change predicted (0.000443994%) linmin: converged after 3 iterations. iteration 127: trace = 2.532454369363875 (0.000444688% change) linmin: converged after 3 iterations. iteration 128: trace = 2.532452533273903 (7.25024e-05% change) large trace change predicted (0.00033789%) linmin: converged after 7 iterations. iteration 129: trace = 2.532443971907508 (0.000338067% change) linmin: converged after 3 iterations. iteration 130: trace = 2.532434760005974 (0.000363756% change) linmin: converged after 3 iterations. iteration 131: trace = 2.532431818985799 (0.000116134% change) large trace change predicted (0.000512254%) linmin: converged after 4 iterations. iteration 132: trace = 2.532418827376971 (0.000513011% change) linmin: converged after 4 iterations. iteration 133: trace = 2.53241349546081 (0.000210547% change) large trace change predicted (0.000489508%) linmin: converged after 4 iterations. iteration 134: trace = 2.532401094202394 (0.000489702% change) linmin: converged after 4 iterations. iteration 135: trace = 2.532386160309443 (0.000589715% change) linmin: converged after 5 iterations. iteration 136: trace = 2.532381530256168 (0.000182834% change) linmin: converged after 4 iterations. iteration 137: trace = 2.532372862130214 (0.000342292% change) linmin: converged after 4 iterations. iteration 138: trace = 2.532367974423152 (0.000193009% change) linmin: converged after 3 iterations. iteration 139: trace = 2.532366678583778 (5.11711e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.5323656712027 (3.97802e-05% change) linmin: converged after 10 iterations. iteration 141: trace = 2.532363827393374 (7.28098e-05% change) linmin: converged after 5 iterations. iteration 142: trace = 2.532360999875571 (0.000111655% change) linmin: converged after 4 iterations. iteration 143: trace = 2.532359796989182 (4.75006e-05% change) large trace change predicted (0.000180444%) linmin: converged after 3 iterations. iteration 144: trace = 2.532355227940748 (0.000180427% change) linmin: converged after 4 iterations. iteration 145: trace = 2.532352211255246 (0.000119126% change) linmin: converged after 4 iterations. iteration 146: trace = 2.532349362290318 (0.000112503% change) large trace change predicted (0.000233004%) linmin: converged after 3 iterations. iteration 147: trace = 2.532343463407119 (0.000232941% change) linmin: converged after 4 iterations. iteration 148: trace = 2.532342115130471 (5.32423e-05% change) large trace change predicted (0.000204419%) linmin: converged after 3 iterations. iteration 149: trace = 2.532336939884447 (0.000204366% change) linmin: converged after 3 iterations. iteration 150: trace = 2.53233335996828 (0.000141368% change) linmin: converged after 3 iterations. iteration 151: trace = 2.532332046545821 (5.18661e-05% change) large trace change predicted (0.000151303%) linmin: converged after 3 iterations. iteration 152: trace = 2.532328217478827 (0.000151207% change) linmin: converged after 3 iterations. iteration 153: trace = 2.532325426354618 (0.00011022% change) linmin: converged after 4 iterations. iteration 154: trace = 2.532323591078181 (7.2474e-05% change) linmin: converged after 6 iterations. iteration 155: trace = 2.532320460236503 (0.000123635% change) linmin: converged after 3 iterations. iteration 156: trace = 2.532319684421553 (3.06365e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.53231850448854 (4.6595e-05% change) linmin: converged after 4 iterations. iteration 158: trace = 2.532316968026178 (6.06742e-05% change) linmin: converged after 5 iterations. iteration 159: trace = 2.532316667577852 (1.18646e-05% change) large trace change predicted (5.68741e-05%) linmin: converged after 5 iterations. iteration 160: trace = 2.532315227301718 (5.68758e-05% change) linmin: converged after 10 iterations. iteration 161: trace = 2.532314452183978 (3.06091e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.532313521937153 (3.67351e-05% change) large trace change predicted (8.54363e-05%) linmin: converged after 3 iterations. iteration 163: trace = 2.532311358502254 (8.54332e-05% change) linmin: converged after 9 iterations. iteration 164: trace = 2.532309834643512 (6.01766e-05% change) linmin: converged after 2 iterations. iteration 165: trace = 2.532308435807828 (5.52395e-05% change) large trace change predicted (0.000170648%) linmin: converged after 3 iterations. iteration 166: trace = 2.532304113761198 (0.000170676% change) linmin: converged after 4 iterations. iteration 167: trace = 2.532303035533439 (4.25789e-05% change) large trace change predicted (0.000112857%) linmin: converged after 4 iterations. iteration 168: trace = 2.532300177212031 (0.000112874% change) linmin: converged after 3 iterations. iteration 169: trace = 2.532297956753474 (8.76855e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.532297190420216 (3.02624e-05% change) large trace change predicted (6.61834e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.532295514663681 (6.61754e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.53229378477196 (6.83132e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.53229233940271 (5.70775e-05% change) linmin: converged after 3 iterations. iteration 174: trace = 2.532290202829727 (8.43731e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.532289883242941 (1.26205e-05% change) large trace change predicted (5.84582e-05%) linmin: converged after 3 iterations. iteration 176: trace = 2.532288402834586 (5.84613e-05% change) linmin: converged after 4 iterations. iteration 177: trace = 2.532287712160898 (2.72747e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.532287402678403 (1.22215e-05% change) large trace change predicted (4.26133e-05%) linmin: converged after 3 iterations. iteration 179: trace = 2.532286323488426 (4.26172e-05% change) linmin: converged after 3 iterations. iteration 180: trace = 2.532285455180427 (3.42895e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.532284512810181 (3.72142e-05% change) large trace change predicted (0.000114098%) linmin: converged after 3 iterations. iteration 182: trace = 2.532281620534402 (0.000114216% change) linmin: converged after 3 iterations. iteration 183: trace = 2.532280807946858 (3.20892e-05% change) large trace change predicted (0.000118636%) linmin: converged after 4 iterations. iteration 184: trace = 2.532277799570789 (0.000118801% change) linmin: converged after 4 iterations. iteration 185: trace = 2.532275098425584 (0.000106669% change) linmin: converged after 4 iterations. iteration 186: trace = 2.532274133967233 (3.80866e-05% change) large trace change predicted (0.00010206%) linmin: converged after 14 iterations. iteration 187: trace = 2.532271546585648 (0.000102176% change) linmin: converged after 4 iterations. iteration 188: trace = 2.532270062907924 (5.85908e-05% change) linmin: converged after 5 iterations. iteration 189: trace = 2.532268229544497 (7.24e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.532265425303058 (0.00011074% change) linmin: converged after 4 iterations. iteration 191: trace = 2.532264922135603 (1.98703e-05% change) large trace change predicted (5.89621e-05%) linmin: converged after 3 iterations. iteration 192: trace = 2.53226342902136 (5.89636e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.532262589103189 (3.31687e-05% change) linmin: converged after 5 iterations. iteration 194: trace = 2.532262136739078 (1.7864e-05% change) large trace change predicted (4.74429e-05%) linmin: converged after 4 iterations. iteration 195: trace = 2.53226093556069 (4.7435e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.532260514572423 (1.6625e-05% change) large trace change predicted (5.60629e-05%) linmin: converged after 4 iterations. iteration 197: trace = 2.532259095148723 (5.60536e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.532257795808561 (5.13115e-05% change) linmin: converged after 16 iterations. iteration 199: trace = 2.532257349839052 (1.76115e-05% change) large trace change predicted (5.00381e-05%) linmin: converged after 5 iterations. iteration 200: trace = 2.532256083315164 (5.00156e-05% change) linmin: converged after 4 iterations. iteration 201: trace = 2.53225471311544 (5.41099e-05% change) linmin: converged after 5 iterations. iteration 202: trace = 2.532254055080478 (2.59861e-05% change) large trace change predicted (7.93994e-05%) linmin: converged after 4 iterations. iteration 203: trace = 2.532252046538988 (7.93184e-05% change) linmin: converged after 4 iterations. iteration 204: trace = 2.532251132078102 (3.61126e-05% change) large trace change predicted (8.34618e-05%) linmin: converged after 5 iterations. iteration 205: trace = 2.532249020689084 (8.338e-05% change) linmin: converged after 14 iterations. iteration 206: trace = 2.532247674082002 (5.31783e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.532247142085046 (2.10089e-05% change) linmin: converged after 5 iterations. iteration 208: trace = 2.532246410139991 (2.8905e-05% change) linmin: converged after 4 iterations. iteration 209: trace = 2.532245665239943 (2.94166e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 2.532245345449662 (1.26287e-05% change) linmin: converged after 9 iterations. iteration 211: trace = 2.532244899809545 (1.75986e-05% change) linmin: converged after 2 iterations. iteration 212: trace = 2.532244695798735 (8.05652e-06% change) large trace change predicted (1.94182e-05%) linmin: converged after 3 iterations. iteration 213: trace = 2.532244204011934 (1.9421e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.53224352686151 (2.67411e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.532243327629037 (7.86782e-06% change) large trace change predicted (3.44148e-05%) linmin: converged after 3 iterations. iteration 216: trace = 2.532242455904719 (3.4425e-05% change) linmin: converged after 3 iterations. iteration 217: trace = 2.532241893073738 (2.22266e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.532241540381099 (1.39281e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.532240847812051 (2.735e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.532240502077886 (1.36533e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.532239869330575 (2.49876e-05% change) linmin: converged after 6 iterations. iteration 222: trace = 2.532239139337781 (2.8828e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.532238929368865 (8.29183e-06% change) large trace change predicted (2.61701e-05%) linmin: converged after 4 iterations. iteration 224: trace = 2.532238266463561 (2.61786e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.53223793257309 (1.31856e-05% change) linmin: converged after 4 iterations. iteration 226: trace = 2.532237643121048 (1.14307e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.53223733580369 (1.21362e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 2.532237055924255 (1.10527e-05% change) linmin: converged after 5 iterations. iteration 229: trace = 2.532236979449607 (3.02004e-06% change) large trace change predicted (1.51042e-05%) linmin: converged after 5 iterations. iteration 230: trace = 2.53223659699959 (1.51032e-05% change) linmin: converged after 12 iterations. iteration 231: trace = 2.532236530951999 (2.60827e-06% change) large trace change predicted (1.41746e-05%) linmin: converged after 5 iterations. iteration 232: trace = 2.532236172095298 (1.41715e-05% change) linmin: converged after 4 iterations. iteration 233: trace = 2.532235854177413 (1.25548e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.532235719088886 (5.33475e-06% change) large trace change predicted (1.82457e-05%) linmin: converged after 5 iterations. iteration 235: trace = 2.532235257295151 (1.82366e-05% change) linmin: converged after 4 iterations. iteration 236: trace = 2.532234707562479 (2.17094e-05% change) linmin: converged after 4 iterations. iteration 237: trace = 2.532234531669597 (6.94615e-06% change) large trace change predicted (1.71871e-05%) linmin: converged after 6 iterations. iteration 238: trace = 2.532234096642287 (1.71796e-05% change) linmin: converged after 6 iterations. iteration 239: trace = 2.532233937626063 (6.27968e-06% change) linmin: converged after 3 iterations. iteration 240: trace = 2.532233784020798 (6.066e-06% change) linmin: converged after 4 iterations. iteration 241: trace = 2.532233579794711 (8.06506e-06% change) linmin: converged after 10 iterations. iteration 242: trace = 2.532233484638245 (3.75781e-06% change) linmin: converged after 4 iterations. iteration 243: trace = 2.53223335469467 (5.13158e-06% change) linmin: converged after 10 iterations. iteration 244: trace = 2.53223313150978 (8.81376e-06% change) linmin: converged after 8 iterations. iteration 245: trace = 2.532233101193213 (1.19723e-06% change) large trace change predicted (6.51414e-06%) linmin: converged after 5 iterations. iteration 246: trace = 2.532232936256826 (6.51348e-06% change) linmin: converged after 6 iterations. iteration 247: trace = 2.532232878239224 (2.29116e-06% change) linmin: converged after 6 iterations. iteration 248: trace = 2.532232795963472 (3.24914e-06% change) linmin: converged after 3 iterations. iteration 249: trace = 2.532232690068687 (4.18187e-06% change) linmin: converged after 3 iterations. iteration 250: trace = 2.532232634361 (2.19994e-06% change) large trace change predicted (6.51456e-06%) linmin: converged after 4 iterations. iteration 251: trace = 2.532232469379299 (6.51527e-06% change) linmin: converged after 13 iterations. iteration 252: trace = 2.532232171498215 (1.17636e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.532232090922851 (3.18199e-06% change) large trace change predicted (1.30667e-05%) linmin: converged after 7 iterations. iteration 254: trace = 2.532231760069726 (1.30657e-05% change) linmin: converged after 9 iterations. iteration 255: trace = 2.532231539224154 (8.72138e-06% change) linmin: converged after 4 iterations. iteration 256: trace = 2.532231468457076 (2.79465e-06% change) large trace change predicted (5.60886e-06%) linmin: converged after 3 iterations. iteration 257: trace = 2.532231326428751 (5.60882e-06% change) linmin: converged after 2 iterations. iteration 258: trace = 2.532231207253 (4.70635e-06% change) linmin: converged after 17 iterations. iteration 259: trace = 2.532231177541257 (1.17334e-06% change) large trace change predicted (4.44584e-06%) linmin: converged after 16 iterations. iteration 260: trace = 2.532231064958411 (4.44599e-06% change) linmin: converged after 5 iterations. iteration 261: trace = 2.532230986862467 (3.08408e-06% change) linmin: converged after 12 iterations. iteration 262: trace = 2.5322309632879 (9.3098e-07% change) large trace change predicted (3.2661e-06%) linmin: converged after 7 iterations. iteration 263: trace = 2.532230880576092 (3.26636e-06% change) linmin: converged after 2 iterations. iteration 264: trace = 2.532230807471777 (2.88695e-06% change) linmin: converged after 6 iterations. iteration 265: trace = 2.532230779813869 (1.09223e-06% change) large trace change predicted (6.33723e-06%) linmin: converged after 3 iterations. iteration 266: trace = 2.532230619326621 (6.33778e-06% change) linmin: converged after 26 iterations. iteration 267: trace = 2.532230594093199 (9.9649e-07% change) large trace change predicted (6.44572e-06%) linmin: converged after 6 iterations. iteration 268: trace = 2.532230430863963 (6.44607e-06% change) linmin: converged after 5 iterations. iteration 269: trace = 2.53223033140914 (3.92756e-06% change) linmin: converged after 4 iterations. iteration 270: trace = 2.532230289677092 (1.64804e-06% change) large trace change predicted (6.77669e-06%) linmin: converged after 3 iterations. iteration 271: trace = 2.532230118058079 (6.77739e-06% change) linmin: converged after 9 iterations. iteration 272: trace = 2.532229989424859 (5.07984e-06% change) linmin: converged after 4 iterations. iteration 273: trace = 2.532229883447351 (4.18515e-06% change) linmin: converged after 4 iterations. iteration 274: trace = 2.532229738918634 (5.70757e-06% change) linmin: converged after 4 iterations. iteration 275: trace = 2.532229696400672 (1.67907e-06% change) large trace change predicted (3.58218e-06%) linmin: converged after 3 iterations. iteration 276: trace = 2.532229605686134 (3.5824e-06% change) linmin: converged after 19 iterations. iteration 277: trace = 2.532229549961051 (2.20063e-06% change) linmin: converged after 4 iterations. iteration 278: trace = 2.532229529455688 (8.09775e-07% change) large trace change predicted (4.12313e-06%) linmin: converged after 21 iterations. iteration 279: trace = 2.532229425049344 (4.1231e-06% change) resetting CG direction... linmin: converged after 17 iterations. iteration 280: trace = 2.532229362204813 (2.48179e-06% change) linmin: converged after 4 iterations. iteration 281: trace = 2.532229350153655 (4.75911e-07% change) large trace change predicted (1.67039e-06%) linmin: converged after 3 iterations. iteration 282: trace = 2.532229307855861 (1.67038e-06% change) linmin: converged after 17 iterations. iteration 283: trace = 2.532229254072699 (2.12395e-06% change) linmin: converged after 7 iterations. iteration 284: trace = 2.532229231474435 (8.92426e-07% change) large trace change predicted (3.1065e-06%) linmin: converged after 6 iterations. iteration 285: trace = 2.532229152810758 (3.1065e-06% change) linmin: converged after 4 iterations. iteration 286: trace = 2.532229109479215 (1.7112e-06% change) large trace change predicted (3.49746e-06%) linmin: converged after 6 iterations. iteration 287: trace = 2.532229020913346 (3.49755e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.532228933740109 (3.44255e-06% change) linmin: converged after 12 iterations. iteration 289: trace = 2.53222889713511 (1.44556e-06% change) linmin: converged after 8 iterations. iteration 290: trace = 2.532228825799343 (2.81711e-06% change) linmin: converged after 3 iterations. iteration 291: trace = 2.532228755625285 (2.77124e-06% change) linmin: converged after 6 iterations. iteration 292: trace = 2.532228736767303 (7.44719e-07% change) large trace change predicted (3.00507e-06%) linmin: converged after 7 iterations. iteration 293: trace = 2.532228660678591 (3.00481e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.532228623543513 (1.4665e-06% change) linmin: converged after 6 iterations. iteration 295: trace = 2.532228592945206 (1.20835e-06% change) linmin: converged after 4 iterations. iteration 296: trace = 2.53222856418664 (1.1357e-06% change) linmin: converged after 9 iterations. iteration 297: trace = 2.532228553659108 (4.15742e-07% change) large trace change predicted (9.04462e-07%) linmin: converged after 3 iterations. iteration 298: trace = 2.532228530756682 (9.04438e-07% change) linmin: converged after 4 iterations. iteration 299: trace = 2.532228493908192 (1.45518e-06% change) linmin: converged after 5 iterations. iteration 300: trace = 2.532228484872204 (3.56839e-07% change) large trace change predicted (1.54468e-06%) linmin: converged after 3 iterations. iteration 301: trace = 2.532228445757557 (1.54467e-06% change) linmin: converged after 8 iterations. iteration 302: trace = 2.532228398579518 (1.8631e-06% change) linmin: converged after 3 iterations. iteration 303: trace = 2.532228375061216 (9.28759e-07% change) large trace change predicted (2.40083e-06%) linmin: converged after 3 iterations. iteration 304: trace = 2.532228314269831 (2.40071e-06% change) linmin: converged after 15 iterations. iteration 305: trace = 2.532228278825191 (1.39974e-06% change) linmin: converged after 6 iterations. iteration 306: trace = 2.532228231187256 (1.88127e-06% change) linmin: converged after 8 iterations. iteration 307: trace = 2.532228155039439 (3.00715e-06% change) linmin: converged after 4 iterations. iteration 308: trace = 2.532228098603846 (2.22869e-06% change) linmin: converged after 16 iterations. iteration 309: trace = 2.532228090223597 (3.30944e-07% change) large trace change predicted (1.12239e-06%) linmin: converged after 4 iterations. iteration 310: trace = 2.532228061802467 (1.12238e-06% change) linmin: converged after 5 iterations. iteration 311: trace = 2.532228037889213 (9.44356e-07% change) linmin: converged after 4 iterations. iteration 312: trace = 2.532228030532646 (2.90518e-07% change) large trace change predicted (1.35133e-06%) linmin: converged after 8 iterations. iteration 313: trace = 2.532227996313136 (1.35136e-06% change) linmin: converged after 5 iterations. iteration 314: trace = 2.532227981769021 (5.7436e-07% change) large trace change predicted (1.58129e-06%) linmin: converged after 13 iterations. iteration 315: trace = 2.532227941725563 (1.58135e-06% change) linmin: converged after 4 iterations. iteration 316: trace = 2.532227904101084 (1.48583e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.532227887641151 (6.50018e-07% change) large trace change predicted (1.68426e-06%) linmin: converged after 5 iterations. iteration 318: trace = 2.532227844987628 (1.68443e-06% change) linmin: converged after 4 iterations. iteration 319: trace = 2.532227801022949 (1.73621e-06% change) linmin: converged after 3 iterations. iteration 320: trace = 2.532227786637012 (5.68114e-07% change) large trace change predicted (2.19015e-06%) linmin: converged after 4 iterations. iteration 321: trace = 2.532227731169816 (2.19045e-06% change) linmin: converged after 5 iterations. iteration 322: trace = 2.532227706764721 (9.6378e-07% change) large trace change predicted (1.98688e-06%) linmin: converged after 5 iterations. iteration 323: trace = 2.532227656443491 (1.98723e-06% change) linmin: converged after 3 iterations. iteration 324: trace = 2.532227600649281 (2.20336e-06% change) linmin: converged after 20 iterations. iteration 325: trace = 2.532227572868166 (1.0971e-06% change) linmin: converged after 4 iterations. iteration 326: trace = 2.532227558116004 (5.82576e-07% change) large trace change predicted (1.47491e-06%) linmin: converged after 6 iterations. iteration 327: trace = 2.532227520766182 (1.47498e-06% change) linmin: converged after 4 iterations. iteration 328: trace = 2.53222751507689 (2.24675e-07% change) large trace change predicted (1.10161e-06%) linmin: converged after 7 iterations. iteration 329: trace = 2.532227487181792 (1.1016e-06% change) linmin: converged after 4 iterations. iteration 330: trace = 2.532227467600348 (7.73289e-07% change) linmin: converged after 5 iterations. iteration 331: trace = 2.532227456960113 (4.20193e-07% change) large trace change predicted (1.04908e-06%) linmin: converged after 5 iterations. iteration 332: trace = 2.532227430395588 (1.04906e-06% change) linmin: converged after 6 iterations. iteration 333: trace = 2.532227394851205 (1.40368e-06% change) linmin: converged after 14 iterations. iteration 334: trace = 2.532227385067134 (3.86382e-07% change) large trace change predicted (2.53429e-06%) linmin: converged after 7 iterations. iteration 335: trace = 2.532227320902832 (2.53391e-06% change) linmin: converged after 5 iterations. iteration 336: trace = 2.532227305219125 (6.19364e-07% change) large trace change predicted (1.72038e-06%) linmin: converged after 17 iterations. iteration 337: trace = 2.532227261657944 (1.72027e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.532227223570452 (1.50411e-06% change) linmin: converged after 4 iterations. iteration 339: trace = 2.532227213967092 (3.79246e-07% change) large trace change predicted (1.16087e-06%) linmin: converged after 5 iterations. iteration 340: trace = 2.53222718457211 (1.16084e-06% change) linmin: converged after 5 iterations. iteration 341: trace = 2.532227156275118 (1.11747e-06% change) linmin: converged after 9 iterations. iteration 342: trace = 2.532227148450816 (3.08989e-07% change) large trace change predicted (9.66064e-07%) linmin: converged after 5 iterations. iteration 343: trace = 2.532227123988557 (9.66037e-07% change) linmin: converged after 5 iterations. iteration 344: trace = 2.532227107010383 (6.70484e-07% change) linmin: converged after 4 iterations. iteration 345: trace = 2.532227095890339 (4.39141e-07% change) linmin: converged after 8 iterations. iteration 346: trace = 2.532227080349761 (6.13712e-07% change) linmin: converged after 4 iterations. iteration 347: trace = 2.532227076250968 (1.61865e-07% change) linmin: converged after 2 iterations. iteration 348: trace = 2.532227068112935 (3.21378e-07% change) large trace change predicted (8.70544e-07%) linmin: converged after 9 iterations. iteration 349: trace = 2.532227046068919 (8.70539e-07% change) resetting CG direction... linmin: converged after 6 iterations. iteration 350: trace = 2.532227041253952 (1.90148e-07% change) large trace change predicted (5.24462e-07%) linmin: converged after 3 iterations. iteration 351: trace = 2.532227027973468 (5.24459e-07% change) linmin: converged after 4 iterations. iteration 352: trace = 2.532227020012078 (3.14403e-07% change) linmin: converged after 3 iterations. iteration 353: trace = 2.532227015957442 (1.60121e-07% change) large trace change predicted (4.28601e-07%) linmin: converged after 7 iterations. iteration 354: trace = 2.532227005104187 (4.28605e-07% change) linmin: converged after 13 iterations. iteration 355: trace = 2.532226996652225 (3.33776e-07% change) linmin: converged after 8 iterations. iteration 356: trace = 2.532226987561438 (3.59004e-07% change) linmin: converged after 8 iterations. iteration 357: trace = 2.532226969413104 (7.16695e-07% change) linmin: converged after 4 iterations. iteration 358: trace = 2.532226965678333 (1.4749e-07% change) large trace change predicted (5.70213e-07%) linmin: converged after 11 iterations. iteration 359: trace = 2.532226951238592 (5.70239e-07% change) linmin: converged after 4 iterations. iteration 360: trace = 2.532226936960811 (5.63843e-07% change) linmin: converged after 21 iterations. iteration 361: trace = 2.53222693253943 (1.74604e-07% change) large trace change predicted (7.64604e-07%) linmin: converged after 5 iterations. iteration 362: trace = 2.532226913176651 (7.64654e-07% change) linmin: converged after 2 iterations. iteration 363: trace = 2.532226900874408 (4.85827e-07% change) linmin: converged after 7 iterations. iteration 364: trace = 2.532226889402457 (4.53038e-07% change) linmin: converged after 6 iterations. iteration 365: trace = 2.532226871634764 (7.01663e-07% change) linmin: converged after 15 iterations. iteration 366: trace = 2.532226865149388 (2.56114e-07% change) linmin: converged after 4 iterations. iteration 367: trace = 2.532226858083303 (2.79046e-07% change) linmin: converged after 3 iterations. iteration 368: trace = 2.532226849760441 (3.28678e-07% change) linmin: converged after 4 iterations. iteration 369: trace = 2.532226846290662 (1.37025e-07% change) linmin: converged after 10 iterations. iteration 370: trace = 2.532226840160222 (2.42097e-07% change) linmin: converged after 4 iterations. iteration 371: trace = 2.53222683497562 (2.04745e-07% change) linmin: converged after 4 iterations. iteration 372: trace = 2.532226831176658 (1.50025e-07% change) linmin: converged after 22 iterations. iteration 373: trace = 2.532226823812367 (2.90823e-07% change) linmin: converged after 4 iterations. iteration 374: trace = 2.532226820168667 (1.43893e-07% change) linmin: converged after 2 iterations. iteration 375: trace = 2.532226817017566 (1.2444e-07% change) large trace change predicted (4.75244e-07%) linmin: converged after 4 iterations. iteration 376: trace = 2.532226804984404 (4.75201e-07% change) linmin: converged after 9 iterations. iteration 377: trace = 2.532226793615652 (4.48963e-07% change) linmin: converged after 4 iterations. iteration 378: trace = 2.532226791481499 (8.42797e-08% change) large trace change predicted (3.01751e-07%) linmin: converged after 13 iterations. iteration 379: trace = 2.532226783840986 (3.01731e-07% change) linmin: converged after 5 iterations. iteration 380: trace = 2.53222677825189 (2.20719e-07% change) linmin: converged after 11 iterations. iteration 381: trace = 2.532226776198825 (8.10774e-08% change) large trace change predicted (3.09645e-07%) linmin: converged after 4 iterations. iteration 382: trace = 2.532226768358376 (3.09627e-07% change) linmin: converged after 4 iterations. iteration 383: trace = 2.532226764050359 (1.70128e-07% change) linmin: converged after 6 iterations. iteration 384: trace = 2.532226761490044 (1.01109e-07% change) large trace change predicted (2.35328e-07%) linmin: converged after 3 iterations. iteration 385: trace = 2.532226755531154 (2.35322e-07% change) linmin: converged after 4 iterations. iteration 386: trace = 2.532226754606565 (3.65129e-08% change) large trace change predicted (1.73932e-07%) linmin: converged after 13 iterations. iteration 387: trace = 2.532226750202272 (1.7393e-07% change) linmin: converged after 4 iterations. iteration 388: trace = 2.532226748583039 (6.3945e-08% change) linmin: converged after 6 iterations. iteration 389: trace = 2.532226746769836 (7.16051e-08% change) linmin: converged after 4 iterations. iteration 390: trace = 2.532226743674155 (1.22251e-07% change) linmin: converged after 7 iterations. iteration 391: trace = 2.532226742822863 (3.36183e-08% change) large trace change predicted (1.553e-07%) linmin: converged after 7 iterations. iteration 392: trace = 2.532226738890259 (1.55302e-07% change) linmin: converged after 12 iterations. iteration 393: trace = 2.532226733157526 (2.26391e-07% change) linmin: converged after 5 iterations. iteration 394: trace = 2.532226731881656 (5.03853e-08% change) large trace change predicted (2.38712e-07%) linmin: converged after 16 iterations. iteration 395: trace = 2.532226725836817 (2.38716e-07% change) linmin: converged after 10 iterations. iteration 396: trace = 2.532226721303406 (1.79029e-07% change) linmin: converged after 3 iterations. iteration 397: trace = 2.532226720021591 (5.06201e-08% change) large trace change predicted (1.64248e-07%) linmin: converged after 7 iterations. iteration 398: trace = 2.53222671586235 (1.64252e-07% change) linmin: converged after 18 iterations. iteration 399: trace = 2.532226712848004 (1.19039e-07% change) linmin: converged after 10 iterations. iteration 400: trace = 2.532226711845361 (3.95953e-08% change) large trace change predicted (8.97363e-08%) linmin: converged after 13 iterations. iteration 401: trace = 2.532226709573011 (8.97372e-08% change) linmin: converged after 8 iterations. iteration 402: trace = 2.532226708190714 (5.45882e-08% change) linmin: converged after 4 iterations. iteration 403: trace = 2.532226707175363 (4.00972e-08% change) linmin: converged after 6 iterations. iteration 404: trace = 2.532226705422322 (6.92292e-08% change) linmin: converged after 4 iterations. iteration 405: trace = 2.532226703386372 (8.04016e-08% change) linmin: converged after 15 iterations. iteration 406: trace = 2.532226702543767 (3.32753e-08% change) large trace change predicted (1.27052e-07%) linmin: converged after 7 iterations. iteration 407: trace = 2.532226699326492 (1.27053e-07% change) linmin: converged after 7 iterations. iteration 408: trace = 2.53222669796431 (5.37939e-08% change) linmin: converged after 7 iterations. iteration 409: trace = 2.53222669554264 (9.5634e-08% change) linmin: converged after 6 iterations. iteration 410: trace = 2.53222669284764 (1.06428e-07% change) linmin: converged after 11 iterations. iteration 411: trace = 2.532226691335092 (5.97319e-08% change) large trace change predicted (1.24133e-07%) linmin: converged after 4 iterations. iteration 412: trace = 2.532226688191721 (1.24135e-07% change) linmin: converged after 14 iterations. iteration 413: trace = 2.532226684404653 (1.49555e-07% change) linmin: converged after 4 iterations. iteration 414: trace = 2.532226683623242 (3.08587e-08% change) large trace change predicted (1.27284e-07%) linmin: converged after 5 iterations. iteration 415: trace = 2.532226680400108 (1.27285e-07% change) linmin: converged after 4 iterations. iteration 416: trace = 2.532226679110584 (5.09245e-08% change) linmin: converged after 8 iterations. iteration 417: trace = 2.532226677977577 (4.47435e-08% change) linmin: converged after 3 iterations. iteration 418: trace = 2.532226676546075 (5.65314e-08% change) linmin: converged after 4 iterations. iteration 419: trace = 2.53222667592058 (2.47014e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.532226675493463 (1.68673e-08% change) large trace change predicted (3.87553e-08%) linmin: converged after 6 iterations. iteration 421: trace = 2.532226674512091 (3.87553e-08% change) linmin: converged after 6 iterations. iteration 422: trace = 2.532226673922648 (2.32776e-08% change) linmin: converged after 4 iterations. iteration 423: trace = 2.532226672942695 (3.86992e-08% change) large trace change predicted (8.20289e-08%) linmin: converged after 4 iterations. iteration 424: trace = 2.53222667086553 (8.20292e-08% change) linmin: converged after 4 iterations. iteration 425: trace = 2.532226670389969 (1.87803e-08% change) large trace change predicted (9.7365e-08%) linmin: converged after 4 iterations. iteration 426: trace = 2.532226667924473 (9.73648e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.53222666650955 (5.58766e-08% change) linmin: converged after 6 iterations. iteration 428: trace = 2.532226665027508 (5.85272e-08% change) linmin: converged after 4 iterations. iteration 429: trace = 2.532226663124199 (7.51635e-08% change) linmin: converged after 7 iterations. iteration 430: trace = 2.532226662147229 (3.85814e-08% change) linmin: converged after 7 iterations. iteration 431: trace = 2.532226660826446 (5.2159e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.532226659094629 (6.83911e-08% change) linmin: converged after 5 iterations. iteration 433: trace = 2.532226658647822 (1.76448e-08% change) large trace change predicted (5.71739e-08%) linmin: converged after 4 iterations. iteration 434: trace = 2.532226657200071 (5.7173e-08% change) linmin: converged after 10 iterations. iteration 435: trace = 2.532226655897789 (5.14283e-08% change) linmin: converged after 4 iterations. iteration 436: trace = 2.532226655650127 (9.7804e-09% change) large trace change predicted (2.04904e-08%) linmin: converged after 16 iterations. iteration 437: trace = 2.53222665513126 (2.04906e-08% change) linmin: converged after 4 iterations. iteration 438: trace = 2.532226654220309 (3.59743e-08% change) linmin: converged after 4 iterations. iteration 439: trace = 2.532226654016821 (8.03593e-09% change) large trace change predicted (4.26703e-08%) linmin: converged after 24 iterations. iteration 440: trace = 2.532226652936318 (4.26701e-08% change) linmin: converged after 7 iterations. iteration 441: trace = 2.532226652307979 (2.48137e-08% change) linmin: converged after 22 iterations. iteration 442: trace = 2.532226651293117 (4.00779e-08% change) linmin: converged after 7 iterations. iteration 443: trace = 2.532226649812017 (5.849e-08% change) linmin: converged after 6 iterations. iteration 444: trace = 2.532226648554367 (4.96658e-08% change) linmin: converged after 12 iterations. iteration 445: trace = 2.532226647525179 (4.06436e-08% change) linmin: converged after 8 iterations. iteration 446: trace = 2.532226645471285 (8.11102e-08% change) linmin: converged after 3 iterations. iteration 447: trace = 2.532226644235352 (4.88082e-08% change) linmin: converged after 7 iterations. iteration 448: trace = 2.532226643803798 (1.70424e-08% change) large trace change predicted (4.14197e-08%) linmin: converged after 5 iterations. iteration 449: trace = 2.532226642754956 (4.14197e-08% change) linmin: converged after 15 iterations. iteration 450: trace = 2.532226642082326 (2.65628e-08% change) linmin: converged after 19 iterations. iteration 451: trace = 2.532226641716459 (1.44484e-08% change) large trace change predicted (3.51394e-08%) linmin: converged after 4 iterations. iteration 452: trace = 2.532226640826662 (3.51389e-08% change) linmin: converged after 4 iterations. iteration 453: trace = 2.532226640135402 (2.72985e-08% change) linmin: converged after 5 iterations. iteration 454: trace = 2.532226639517137 (2.44159e-08% change) linmin: converged after 4 iterations. iteration 455: trace = 2.532226638282867 (4.87425e-08% change) linmin: converged after 4 iterations. iteration 456: trace = 2.532226638026622 (1.01193e-08% change) large trace change predicted (3.28326e-08%) linmin: converged after 4 iterations. iteration 457: trace = 2.532226637195224 (3.28327e-08% change) linmin: converged after 4 iterations. iteration 458: trace = 2.532226636264558 (3.67529e-08% change) linmin: converged after 8 iterations. iteration 459: trace = 2.532226635688844 (2.27355e-08% change) large trace change predicted (6.28703e-08%) linmin: converged after 16 iterations. iteration 460: trace = 2.532226634096801 (6.28712e-08% change) linmin: converged after 6 iterations. iteration 461: trace = 2.532226633566544 (2.09404e-08% change) large trace change predicted (6.11319e-08%) linmin: converged after 9 iterations. iteration 462: trace = 2.532226632018534 (6.11324e-08% change) linmin: converged after 5 iterations. iteration 463: trace = 2.532226630398428 (6.39795e-08% change) linmin: converged after 6 iterations. iteration 464: trace = 2.532226629990468 (1.61107e-08% change) large trace change predicted (3.77254e-08%) linmin: converged after 12 iterations. iteration 465: trace = 2.53222662903518 (3.77252e-08% change) linmin: converged after 5 iterations. iteration 466: trace = 2.532226628138766 (3.54002e-08% change) linmin: converged after 4 iterations. iteration 467: trace = 2.532226627861705 (1.09414e-08% change) large trace change predicted (2.94572e-08%) linmin: converged after 4 iterations. iteration 468: trace = 2.532226627115773 (2.94576e-08% change) linmin: converged after 4 iterations. iteration 469: trace = 2.532226626456777 (2.60244e-08% change) linmin: converged after 4 iterations. iteration 470: trace = 2.532226626319011 (5.44048e-09% change) large trace change predicted (2.74546e-08%) linmin: converged after 4 iterations. iteration 471: trace = 2.532226625623806 (2.74543e-08% change) linmin: converged after 4 iterations. iteration 472: trace = 2.53222662505919 (2.22972e-08% change) linmin: converged after 4 iterations. iteration 473: trace = 2.532226624813997 (9.68289e-09% change) large trace change predicted (3.7178e-08%) linmin: converged after 4 iterations. iteration 474: trace = 2.532226623872571 (3.71778e-08% change) linmin: converged after 13 iterations. iteration 475: trace = 2.532226622403658 (5.80087e-08% change) linmin: converged after 24 iterations. iteration 476: trace = 2.532226622168948 (9.26892e-09% change) large trace change predicted (4.57674e-08%) linmin: converged after 16 iterations. iteration 477: trace = 2.53222662101005 (4.5766e-08% change) linmin: converged after 4 iterations. iteration 478: trace = 2.532226620368379 (2.53402e-08% change) linmin: converged after 2 iterations. iteration 479: trace = 2.532226620116673 (9.9401e-09% change) large trace change predicted (3.61064e-08%) linmin: converged after 4 iterations. iteration 480: trace = 2.532226619202394 (3.61057e-08% change) linmin: converged after 6 iterations. iteration 481: trace = 2.532226618399125 (3.17218e-08% change) linmin: converged after 4 iterations. iteration 482: trace = 2.532226618157492 (9.54233e-09% change) large trace change predicted (2.0967e-08%) linmin: converged after 4 iterations. iteration 483: trace = 2.532226617626567 (2.09667e-08% change) linmin: converged after 4 iterations. iteration 484: trace = 2.532226617416627 (8.29073e-09% change) linmin: converged after 18 iterations. iteration 485: trace = 2.532226617137782 (1.10118e-08% change) linmin: converged after 13 iterations. iteration 486: trace = 2.532226616844827 (1.15691e-08% change) linmin: converged after 7 iterations. iteration 487: trace = 2.532226616733817 (4.38387e-09% change) large trace change predicted (9.37229e-09%) linmin: converged after 18 iterations. iteration 488: trace = 2.532226616496495 (9.37207e-09% change) large trace change predicted (3.00344e-08%) linmin: converged after 8 iterations. iteration 489: trace = 2.532226615735953 (3.00345e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.532226615443588 (1.15458e-08% change) linmin: converged after 2 iterations. iteration 491: trace = 2.532226615044469 (1.57616e-08% change) linmin: converged after 6 iterations. iteration 492: trace = 2.53222661497231 (2.84965e-09% change) large trace change predicted (8.95187e-09%) linmin: converged after 6 iterations. iteration 493: trace = 2.53222661474563 (8.95181e-09% change) linmin: converged after 3 iterations. iteration 494: trace = 2.53222661453013 (8.5103e-09% change) linmin: converged after 14 iterations. iteration 495: trace = 2.532226614447989 (3.24381e-09% change) large trace change predicted (1.44164e-08%) linmin: converged after 4 iterations. iteration 496: trace = 2.532226614082933 (1.44164e-08% change) linmin: converged after 4 iterations. iteration 497: trace = 2.532226613817419 (1.04854e-08% change) linmin: converged after 4 iterations. iteration 498: trace = 2.532226613634143 (7.23776e-09% change) large trace change predicted (1.99518e-08%) linmin: converged after 4 iterations. iteration 499: trace = 2.532226613128916 (1.99519e-08% change) linmin: converged after 4 iterations. iteration 500: trace = 2.532226612863586 (1.04781e-08% change) linmin: converged after 6 iterations. iteration 501: trace = 2.532226612570639 (1.15688e-08% change) linmin: converged after 4 iterations. iteration 502: trace = 2.532226612226721 (1.35816e-08% change) linmin: converged after 8 iterations. iteration 503: trace = 2.532226612029891 (7.77302e-09% change) linmin: converged after 5 iterations. iteration 504: trace = 2.532226611670453 (1.41945e-08% change) linmin: converged after 6 iterations. iteration 505: trace = 2.532226611196819 (1.87043e-08% change) linmin: converged after 20 iterations. iteration 506: trace = 2.53222661112223 (2.94558e-09% change) large trace change predicted (1.06021e-08%) linmin: converged after 6 iterations. iteration 507: trace = 2.532226610853749 (1.06026e-08% change) linmin: converged after 4 iterations. iteration 508: trace = 2.53222661068053 (6.84059e-09% change) linmin: converged after 17 iterations. iteration 509: trace = 2.532226610616374 (2.53357e-09% change) large trace change predicted (8.07521e-09%) linmin: converged after 4 iterations. iteration 510: trace = 2.532226610411894 (8.07509e-09% change) linmin: converged after 4 iterations. iteration 511: trace = 2.53222661031714 (3.74196e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.532226610182449 (5.31905e-09% change) linmin: converged after 4 iterations. iteration 513: trace = 2.532226609970626 (8.36509e-09% change) linmin: converged after 4 iterations. iteration 514: trace = 2.532226609857379 (4.47222e-09% change) linmin: converged after 5 iterations. iteration 515: trace = 2.532226609760135 (3.84027e-09% change) large trace change predicted (9.47579e-09%) linmin: converged after 4 iterations. iteration 516: trace = 2.532226609520188 (9.47574e-09% change) linmin: converged after 9 iterations. iteration 517: trace = 2.532226609287503 (9.18895e-09% change) linmin: converged after 4 iterations. iteration 518: trace = 2.532226609214028 (2.90158e-09% change) large trace change predicted (1.03335e-08%) linmin: converged after 4 iterations. iteration 519: trace = 2.53222660895237 (1.03331e-08% change) linmin: converged after 4 iterations. iteration 520: trace = 2.532226608716047 (9.33258e-09% change) linmin: converged after 5 iterations. iteration 521: trace = 2.532226608640769 (2.9728e-09% change) linmin: converged after 4 iterations. iteration 522: trace = 2.532226608517133 (4.88251e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.532226608355188 (6.39536e-09% change) linmin: converged after 18 iterations. iteration 524: trace = 2.5322266083288 (1.0421e-09% change) large trace change predicted (6.24975e-09%) linmin: converged after 4 iterations. iteration 525: trace = 2.532226608170548 (6.24951e-09% change) linmin: converged after 25 iterations. iteration 526: trace = 2.532226608136921 (1.32797e-09% change) large trace change predicted (3.9053e-09%) linmin: converged after 5 iterations. iteration 527: trace = 2.532226608038034 (3.90513e-09% change) linmin: converged after 4 iterations. iteration 528: trace = 2.532226607956137 (3.23421e-09% change) linmin: converged after 4 iterations. iteration 529: trace = 2.532226607927542 (1.12922e-09% change) large trace change predicted (3.80954e-09%) linmin: converged after 24 iterations. iteration 530: trace = 2.532226607831084 (3.80921e-09% change) linmin: converged after 7 iterations. iteration 531: trace = 2.532226607755488 (2.98536e-09% change) linmin: converged after 5 iterations. iteration 532: trace = 2.532226607721565 (1.33965e-09% change) large trace change predicted (4.88725e-09%) linmin: converged after 3 iterations. iteration 533: trace = 2.532226607597808 (4.8873e-09% change) linmin: converged after 5 iterations. iteration 534: trace = 2.532226607522797 (2.96224e-09% change) linmin: converged after 26 iterations. iteration 535: trace = 2.53222660742734 (3.7697e-09% change) linmin: converged after 4 iterations. iteration 536: trace = 2.532226607285777 (5.59043e-09% change) linmin: converged after 4 iterations. iteration 537: trace = 2.532226607195929 (3.5482e-09% change) linmin: converged after 3 iterations. iteration 538: trace = 2.532226607145792 (1.97997e-09% change) linmin: converged after 25 iterations. iteration 539: trace = 2.532226607053331 (3.65136e-09% change) linmin: converged after 5 iterations. iteration 540: trace = 2.532226607017517 (1.41431e-09% change) linmin: converged after 4 iterations. iteration 541: trace = 2.532226606980256 (1.47148e-09% change) linmin: converged after 21 iterations. iteration 542: trace = 2.53222660692834 (2.0502e-09% change) linmin: converged after 7 iterations. iteration 543: trace = 2.532226606900785 (1.08818e-09% change) linmin: converged after 5 iterations. iteration 544: trace = 2.532226606886538 (5.6262e-10% change) large trace change predicted (2.71182e-09%) linmin: converged after 7 iterations. iteration 545: trace = 2.532226606817869 (2.71179e-09% change) linmin: converged after 3 iterations. iteration 546: trace = 2.532226606798261 (7.74368e-10% change) large trace change predicted (2.57727e-09%) linmin: converged after 4 iterations. iteration 547: trace = 2.532226606732987 (2.57771e-09% change) linmin: converged after 22 iterations. iteration 548: trace = 2.532226606654048 (3.11736e-09% change) linmin: converged after 4 iterations. iteration 549: trace = 2.53222660662761 (1.04409e-09% change) large trace change predicted (2.53059e-09%) linmin: converged after 6 iterations. iteration 550: trace = 2.532226606563538 (2.53024e-09% change) linmin: converged after 11 iterations. iteration 551: trace = 2.532226606482841 (3.18679e-09% change) linmin: converged after 4 iterations. iteration 552: trace = 2.532226606459311 (9.29224e-10% change) large trace change predicted (2.58732e-09%) linmin: converged after 5 iterations. iteration 553: trace = 2.532226606393785 (2.58769e-09% change) linmin: converged after 15 iterations. iteration 554: trace = 2.532226606306193 (3.45908e-09% change) linmin: converged after 10 iterations. iteration 555: trace = 2.532226606290174 (6.3263e-10% change) large trace change predicted (2.65653e-09%) linmin: converged after 18 iterations. iteration 556: trace = 2.532226606222913 (2.65618e-09% change) linmin: converged after 6 iterations. iteration 557: trace = 2.532226606201254 (8.55356e-10% change) linmin: converged after 4 iterations. iteration 558: trace = 2.532226606178723 (8.89765e-10% change) linmin: converged after 6 iterations. iteration 559: trace = 2.532226606152547 (1.0337e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.532226606138769 (5.44118e-10% change) linmin: converged after 6 iterations. iteration 561: trace = 2.532226606124821 (5.50818e-10% change) large trace change predicted (1.15268e-09%) linmin: converged after 12 iterations. iteration 562: trace = 2.532226606095637 (1.15249e-09% change) linmin: converged after 21 iterations. iteration 563: trace = 2.532226606077214 (7.27561e-10% change) large trace change predicted (1.59868e-09%) linmin: converged after 9 iterations. iteration 564: trace = 2.532226606036726 (1.59891e-09% change) linmin: converged after 4 iterations. iteration 565: trace = 2.532226605987478 (1.94484e-09% change) linmin: converged after 3 iterations. iteration 566: trace = 2.532226605965412 (8.71421e-10% change) large trace change predicted (2.07106e-09%) linmin: converged after 4 iterations. iteration 567: trace = 2.532226605912968 (2.07106e-09% change) linmin: converged after 2 iterations. iteration 568: trace = 2.532226605884515 (1.12363e-09% change) linmin: converged after 4 iterations. iteration 569: trace = 2.532226605847781 (1.45065e-09% change) linmin: converged after 3 iterations. iteration 570: trace = 2.532226605794655 (2.09799e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.532226605780342 (5.65251e-10% change) large trace change predicted (1.6543e-09%) linmin: converged after 4 iterations. iteration 572: trace = 2.532226605738452 (1.65428e-09% change) linmin: converged after 3 iterations. iteration 573: trace = 2.532226605697139 (1.63148e-09% change) linmin: converged after 6 iterations. iteration 574: trace = 2.532226605689739 (2.92227e-10% change) large trace change predicted (1.28387e-09%) linmin: converged after 18 iterations. iteration 575: trace = 2.532226605657222 (1.28415e-09% change) linmin: converged after 4 iterations. iteration 576: trace = 2.532226605642729 (5.72354e-10% change) linmin: converged after 6 iterations. iteration 577: trace = 2.532226605636149 (2.59836e-10% change) large trace change predicted (1.03721e-09%) linmin: converged after 18 iterations. iteration 578: trace = 2.532226605609885 (1.0372e-09% change) linmin: converged after 5 iterations. iteration 579: trace = 2.532226605590671 (7.58742e-10% change) linmin: converged after 3 iterations. iteration 580: trace = 2.532226605580481 (4.02433e-10% change) large trace change predicted (1.25496e-09%) linmin: converged after 6 iterations. iteration 581: trace = 2.532226605548697 (1.25516e-09% change) linmin: converged after 4 iterations. iteration 582: trace = 2.532226605521011 (1.09336e-09% change) linmin: converged after 6 iterations. iteration 583: trace = 2.532226605509007 (4.74056e-10% change) large trace change predicted (2.23151e-09%) linmin: converged after 3 iterations. iteration 584: trace = 2.5322266054525 (2.23151e-09% change) linmin: converged after 3 iterations. iteration 585: trace = 2.532226605418284 (1.35125e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.532226605390208 (1.10874e-09% change) linmin: converged after 4 iterations. iteration 587: trace = 2.532226605345729 (1.75652e-09% change) linmin: converged after 4 iterations. iteration 588: trace = 2.532226605334294 (4.51556e-10% change) large trace change predicted (9.47294e-10%) linmin: converged after 9 iterations. iteration 589: trace = 2.532226605310306 (9.47323e-10% change) linmin: converged after 4 iterations. iteration 590: trace = 2.532226605289418 (8.24876e-10% change) linmin: converged after 8 iterations. iteration 591: trace = 2.532226605262301 (1.07089e-09% change) linmin: converged after 3 iterations. iteration 592: trace = 2.532226605256451 (2.31021e-10% change) large trace change predicted (1.16166e-09%) linmin: converged after 2 iterations. iteration 593: trace = 2.532226605227016 (1.1624e-09% change) linmin: converged after 4 iterations. iteration 594: trace = 2.532226605203669 (9.21981e-10% change) linmin: converged after 4 iterations. iteration 595: trace = 2.5322266051893 (5.67461e-10% change) linmin: converged after 18 iterations. iteration 596: trace = 2.532226605167502 (8.60846e-10% change) linmin: converged after 4 iterations. iteration 597: trace = 2.532226605147977 (7.71036e-10% change) linmin: converged after 7 iterations. iteration 598: trace = 2.53222660512347 (9.67824e-10% change) linmin: converged after 25 iterations. iteration 599: trace = 2.532226605080746 (1.68718e-09% change) linmin: converged after 22 iterations. iteration 600: trace = 2.532226605050802 (1.18252e-09% change) linmin: converged after 2 iterations. iteration 601: trace = 2.532226605034923 (6.27106e-10% change) large trace change predicted (1.46982e-09%) linmin: converged after 5 iterations. iteration 602: trace = 2.532226604997704 (1.46978e-09% change) linmin: converged after 4 iterations. iteration 603: trace = 2.53222660498625 (4.52345e-10% change) large trace change predicted (1.13497e-09%) linmin: converged after 6 iterations. iteration 604: trace = 2.532226604957511 (1.13494e-09% change) linmin: converged after 10 iterations. iteration 605: trace = 2.532226604934842 (8.95202e-10% change) linmin: converged after 7 iterations. iteration 606: trace = 2.532226604927949 (2.72217e-10% change) large trace change predicted (1.02475e-09%) linmin: converged after 16 iterations. iteration 607: trace = 2.532226604902005 (1.02456e-09% change) linmin: converged after 6 iterations. iteration 608: trace = 2.532226604883729 (7.21756e-10% change) linmin: converged after 8 iterations. iteration 609: trace = 2.532226604880142 (1.4165e-10% change) large trace change predicted (5.91534e-10%) linmin: converged after 10 iterations. iteration 610: trace = 2.532226604865174 (5.91101e-10% change) linmin: converged after 4 iterations. iteration 611: trace = 2.532226604850425 (5.82455e-10% change) linmin: converged after 17 iterations. iteration 612: trace = 2.532226604833139 (6.82612e-10% change) linmin: converged after 6 iterations. iteration 613: trace = 2.532226604825081 (3.18218e-10% change) large trace change predicted (1.41162e-09%) linmin: converged after 4 iterations. iteration 614: trace = 2.532226604789335 (1.41165e-09% change) linmin: converged after 6 iterations. iteration 615: trace = 2.532226604780225 (3.59764e-10% change) large trace change predicted (1.05301e-09%) linmin: converged after 4 iterations. iteration 616: trace = 2.532226604753558 (1.05313e-09% change) linmin: converged after 5 iterations. iteration 617: trace = 2.532226604734905 (7.3661e-10% change) linmin: converged after 5 iterations. iteration 618: trace = 2.532226604720409 (5.72477e-10% change) linmin: converged after 14 iterations. iteration 619: trace = 2.532226604707265 (5.19057e-10% change) linmin: converged after 2 iterations. iteration 620: trace = 2.532226604685252 (8.69316e-10% change) linmin: converged after 4 iterations. iteration 621: trace = 2.532226604680823 (1.74901e-10% change) large trace change predicted (5.75452e-10%) linmin: converged after 16 iterations. iteration 622: trace = 2.53222660466625 (5.75475e-10% change) linmin: converged after 8 iterations. iteration 623: trace = 2.532226604657313 (3.5296e-10% change) linmin: converged after 2 iterations. iteration 624: trace = 2.53222660465038 (2.73778e-10% change) linmin: converged after 4 iterations. iteration 625: trace = 2.532226604642506 (3.1094e-10% change) linmin: converged after 16 iterations. iteration 626: trace = 2.532226604635102 (2.92403e-10% change) linmin: converged after 6 iterations. iteration 627: trace = 2.532226604633134 (7.77087e-11% change) Finished solving for bands 1 to 10 after 627 iterations. tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154 elapsed time for k point: 11.900802612304688 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.553206221680581 (2.55578% change) linmin: converged after 6 iterations. iteration 2: trace = 2.48891356078405 (2.55022% change) linmin: converged after 4 iterations. iteration 3: trace = 2.465199503924426 (0.957348% change) linmin: converged after 5 iterations. iteration 4: trace = 2.46084310415172 (0.176872% change) large trace change predicted (0.419623%) linmin: converged after 4 iterations. iteration 5: trace = 2.450658583331204 (0.414721% change) linmin: converged after 4 iterations. iteration 6: trace = 2.447937491967235 (0.111097% change) linmin: converged after 5 iterations. iteration 7: trace = 2.445239403359288 (0.11028% change) linmin: converged after 4 iterations. iteration 8: trace = 2.442317561097169 (0.119562% change) linmin: converged after 4 iterations. iteration 9: trace = 2.44140925349742 (0.0371973% change) linmin: converged after 3 iterations. iteration 10: trace = 2.439907648651203 (0.0615246% change) linmin: converged after 4 iterations. iteration 11: trace = 2.43940342973242 (0.0206676% change) linmin: converged after 3 iterations. iteration 12: trace = 2.438989981088599 (0.0169502% change) linmin: converged after 3 iterations. iteration 13: trace = 2.438435780755584 (0.0227251% change) linmin: converged after 4 iterations. iteration 14: trace = 2.438281780471905 (0.00631574% change) large trace change predicted (0.0151055%) linmin: converged after 3 iterations. iteration 15: trace = 2.437911268206205 (0.0151968% change) linmin: converged after 3 iterations. iteration 16: trace = 2.437756509718134 (0.0063482% change) linmin: converged after 3 iterations. iteration 17: trace = 2.437475062818379 (0.011546% change) linmin: converged after 4 iterations. iteration 18: trace = 2.43703304641871 (0.0181358% change) linmin: converged after 4 iterations. iteration 19: trace = 2.436850985210067 (0.00747089% change) linmin: converged after 4 iterations. iteration 20: trace = 2.436522616304453 (0.013476% change) linmin: converged after 3 iterations. iteration 21: trace = 2.436395611582169 (0.00521268% change) large trace change predicted (0.0178794%) linmin: converged after 4 iterations. iteration 22: trace = 2.435954737440773 (0.018097% change) linmin: converged after 4 iterations. iteration 23: trace = 2.435746548033289 (0.00854689% change) linmin: converged after 4 iterations. iteration 24: trace = 2.435488750587958 (0.0105845% change) linmin: converged after 4 iterations. iteration 25: trace = 2.435193460474172 (0.0121252% change) linmin: converged after 3 iterations. iteration 26: trace = 2.435111833144077 (0.00335204% change) large trace change predicted (0.0170021%) linmin: converged after 3 iterations. iteration 27: trace = 2.43469482985178 (0.0171261% change) linmin: converged after 3 iterations. iteration 28: trace = 2.434620996611131 (0.00303259% change) large trace change predicted (0.0100124%) linmin: converged after 4 iterations. iteration 29: trace = 2.434376912234995 (0.0100261% change) linmin: converged after 5 iterations. iteration 30: trace = 2.43419325187207 (0.00754474% change) linmin: converged after 3 iterations. iteration 31: trace = 2.434081322250106 (0.00459833% change) linmin: converged after 5 iterations. iteration 32: trace = 2.43391404623353 (0.00687248% change) linmin: converged after 3 iterations. iteration 33: trace = 2.433862509197497 (0.00211748% change) large trace change predicted (0.00703875%) linmin: converged after 3 iterations. iteration 34: trace = 2.433691154478418 (0.00704069% change) linmin: converged after 4 iterations. iteration 35: trace = 2.433624337505446 (0.00274554% change) large trace change predicted (0.00707874%) linmin: converged after 3 iterations. iteration 36: trace = 2.433451878551399 (0.00708676% change) linmin: converged after 3 iterations. iteration 37: trace = 2.433377332568779 (0.00306343% change) linmin: converged after 4 iterations. iteration 38: trace = 2.433271914661328 (0.00433226% change) linmin: converged after 3 iterations. iteration 39: trace = 2.433178259803009 (0.003849% change) linmin: converged after 3 iterations. iteration 40: trace = 2.433135884749246 (0.00174157% change) large trace change predicted (0.00592581%) linmin: converged after 3 iterations. iteration 41: trace = 2.432991524414242 (0.00593327% change) linmin: converged after 3 iterations. iteration 42: trace = 2.432956083904433 (0.00145667% change) large trace change predicted (0.00705928%) linmin: converged after 3 iterations. iteration 43: trace = 2.432784016593005 (0.00707261% change) linmin: converged after 4 iterations. iteration 44: trace = 2.432719864934984 (0.002637% change) large trace change predicted (0.00567874%) linmin: converged after 3 iterations. iteration 45: trace = 2.432580687348562 (0.00572123% change) linmin: converged after 3 iterations. iteration 46: trace = 2.432479379338495 (0.00416472% change) linmin: converged after 3 iterations. iteration 47: trace = 2.432285042794907 (0.00798956% change) linmin: converged after 3 iterations. iteration 48: trace = 2.432170808943507 (0.00469668% change) linmin: converged after 4 iterations. iteration 49: trace = 2.432052622647903 (0.00485941% change) linmin: converged after 4 iterations. iteration 50: trace = 2.431877546560799 (0.00719896% change) linmin: converged after 3 iterations. iteration 51: trace = 2.431795719559632 (0.00336482% change) linmin: converged after 3 iterations. iteration 52: trace = 2.431696393891712 (0.00408454% change) linmin: converged after 4 iterations. iteration 53: trace = 2.431636760277184 (0.00245238% change) large trace change predicted (0.00592315%) linmin: converged after 3 iterations. iteration 54: trace = 2.431492404116106 (0.00593676% change) linmin: converged after 4 iterations. iteration 55: trace = 2.431457162942928 (0.00144937% change) large trace change predicted (0.00664181%) linmin: converged after 3 iterations. iteration 56: trace = 2.431295745583637 (0.00663893% change) linmin: converged after 3 iterations. iteration 57: trace = 2.431257083117029 (0.00159021% change) large trace change predicted (0.00464796%) linmin: converged after 4 iterations. iteration 58: trace = 2.431144088626962 (0.00464768% change) linmin: converged after 4 iterations. iteration 59: trace = 2.431090062211807 (0.00222229% change) linmin: converged after 4 iterations. iteration 60: trace = 2.431016706095293 (0.00301746% change) linmin: converged after 3 iterations. iteration 61: trace = 2.430957069106225 (0.0024532% change) linmin: converged after 4 iterations. iteration 62: trace = 2.430908617688924 (0.00199312% change) linmin: converged after 4 iterations. iteration 63: trace = 2.430849646073965 (0.00242594% change) linmin: converged after 3 iterations. iteration 64: trace = 2.430813248378599 (0.00149734% change) linmin: converged after 5 iterations. iteration 65: trace = 2.43074333275598 (0.00287626% change) linmin: converged after 3 iterations. iteration 66: trace = 2.430720451057193 (0.00094135% change) large trace change predicted (0.00257253%) linmin: converged after 3 iterations. iteration 67: trace = 2.43065783473218 (0.00257607% change) linmin: converged after 4 iterations. iteration 68: trace = 2.430628268300632 (0.0012164% change) large trace change predicted (0.00251896%) linmin: converged after 3 iterations. iteration 69: trace = 2.430567036278524 (0.00251922% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.430539129163158 (0.00114818% change) linmin: converged after 3 iterations. iteration 71: trace = 2.430504616436809 (0.00141997% change) linmin: converged after 4 iterations. iteration 72: trace = 2.430479160966565 (0.00104734% change) linmin: converged after 4 iterations. iteration 73: trace = 2.430467719097353 (0.000470767% change) linmin: converged after 3 iterations. iteration 74: trace = 2.430449169402523 (0.000763218% change) linmin: converged after 3 iterations. iteration 75: trace = 2.430430819274576 (0.000755013% change) linmin: converged after 3 iterations. iteration 76: trace = 2.430421416326485 (0.000386885% change) large trace change predicted (0.000998674%) linmin: converged after 5 iterations. iteration 77: trace = 2.430397170000086 (0.000997623% change) linmin: converged after 3 iterations. iteration 78: trace = 2.430362071235476 (0.00144417% change) linmin: converged after 4 iterations. iteration 79: trace = 2.43034979166542 (0.000505258% change) large trace change predicted (0.00196789%) linmin: converged after 3 iterations. iteration 80: trace = 2.430301925051948 (0.00196956% change) linmin: converged after 17 iterations. iteration 81: trace = 2.430250561903287 (0.00211347% change) linmin: converged after 4 iterations. iteration 82: trace = 2.430233115417473 (0.000717891% change) large trace change predicted (0.00378132%) linmin: converged after 4 iterations. iteration 83: trace = 2.430141282638945 (0.00377884% change) linmin: converged after 3 iterations. iteration 84: trace = 2.430107729386463 (0.00138072% change) linmin: converged after 3 iterations. iteration 85: trace = 2.430052054670437 (0.00229107% change) linmin: converged after 5 iterations. iteration 86: trace = 2.430006091898554 (0.00189145% change) linmin: converged after 7 iterations. iteration 87: trace = 2.429964689274548 (0.00170382% change) linmin: converged after 3 iterations. iteration 88: trace = 2.429930838606015 (0.00139306% change) linmin: converged after 3 iterations. iteration 89: trace = 2.429891868095913 (0.00160378% change) linmin: converged after 3 iterations. iteration 90: trace = 2.429864566771172 (0.00112357% change) linmin: converged after 4 iterations. iteration 91: trace = 2.429844028648026 (0.000845241% change) linmin: converged after 17 iterations. iteration 92: trace = 2.429825124482 (0.000778002% change) linmin: converged after 5 iterations. iteration 93: trace = 2.429820307031026 (0.000198263% change) linmin: converged after 3 iterations. iteration 94: trace = 2.429811489210155 (0.000362901% change) linmin: converged after 5 iterations. iteration 95: trace = 2.429799351019589 (0.000499554% change) linmin: converged after 3 iterations. iteration 96: trace = 2.429796384209345 (0.000122101% change) large trace change predicted (0.000517057%) linmin: converged after 4 iterations. iteration 97: trace = 2.429783822312285 (0.000516995% change) linmin: converged after 4 iterations. iteration 98: trace = 2.429779176188033 (0.000191216% change) large trace change predicted (0.000404307%) linmin: converged after 3 iterations. iteration 99: trace = 2.429769358407512 (0.000404061% change) linmin: converged after 3 iterations. iteration 100: trace = 2.429751334627436 (0.000741793% change) linmin: converged after 4 iterations. iteration 101: trace = 2.429742352605952 (0.000369669% change) large trace change predicted (0.00141944%) linmin: converged after 4 iterations. iteration 102: trace = 2.429707992174702 (0.00141417% change) linmin: converged after 4 iterations. iteration 103: trace = 2.429664632613277 (0.00178457% change) linmin: converged after 4 iterations. iteration 104: trace = 2.429647045585335 (0.000723849% change) large trace change predicted (0.00236014%) linmin: converged after 4 iterations. iteration 105: trace = 2.429590050260671 (0.00234585% change) linmin: converged after 3 iterations. iteration 106: trace = 2.429561724742144 (0.00116586% change) linmin: converged after 4 iterations. iteration 107: trace = 2.42953515505053 (0.00109361% change) linmin: converged after 5 iterations. iteration 108: trace = 2.429519665032375 (0.000637573% change) linmin: converged after 5 iterations. iteration 109: trace = 2.429512022126598 (0.000314586% change) linmin: converged after 3 iterations. iteration 110: trace = 2.429498087555357 (0.000573556% change) linmin: converged after 3 iterations. iteration 111: trace = 2.429487519945834 (0.000434972% change) linmin: converged after 3 iterations. iteration 112: trace = 2.42948324395007 (0.000176004% change) large trace change predicted (0.000474577%) linmin: converged after 3 iterations. iteration 113: trace = 2.42947170709866 (0.00047487% change) linmin: converged after 3 iterations. iteration 114: trace = 2.429465139327126 (0.000270338% change) linmin: converged after 5 iterations. iteration 115: trace = 2.429459385570046 (0.000236833% change) large trace change predicted (0.000650862%) linmin: converged after 3 iterations. iteration 116: trace = 2.429443546676336 (0.000651953% change) linmin: converged after 13 iterations. iteration 117: trace = 2.429438048868982 (0.000226299% change) linmin: converged after 5 iterations. iteration 118: trace = 2.429427443295201 (0.000436545% change) linmin: converged after 3 iterations. iteration 119: trace = 2.429413271509384 (0.00058334% change) linmin: converged after 3 iterations. iteration 120: trace = 2.429408316184948 (0.000203972% change) large trace change predicted (0.000900917%) linmin: converged after 6 iterations. iteration 121: trace = 2.429386326019267 (0.00090517% change) linmin: converged after 4 iterations. iteration 122: trace = 2.429375631412208 (0.000440219% change) linmin: converged after 4 iterations. iteration 123: trace = 2.429364836826458 (0.000444337% change) large trace change predicted (0.00110621%) linmin: converged after 6 iterations. iteration 124: trace = 2.429337834084296 (0.00111152% change) linmin: converged after 3 iterations. iteration 125: trace = 2.429334077310085 (0.000154642% change) large trace change predicted (0.000524101%) linmin: converged after 4 iterations. iteration 126: trace = 2.429321327974368 (0.000524809% change) linmin: converged after 4 iterations. iteration 127: trace = 2.429312247681153 (0.00037378% change) linmin: converged after 4 iterations. iteration 128: trace = 2.429307013266377 (0.000215469% change) linmin: converged after 3 iterations. iteration 129: trace = 2.429299574266179 (0.000306219% change) linmin: converged after 4 iterations. iteration 130: trace = 2.429296422141316 (0.000129755% change) linmin: converged after 4 iterations. iteration 131: trace = 2.42929430636169 (8.70944e-05% change) linmin: converged after 4 iterations. iteration 132: trace = 2.429292120608778 (8.99748e-05% change) linmin: converged after 3 iterations. iteration 133: trace = 2.429291259743365 (3.54369e-05% change) large trace change predicted (0.000155579%) linmin: converged after 3 iterations. iteration 134: trace = 2.42928747856844 (0.000155649% change) linmin: converged after 4 iterations. iteration 135: trace = 2.42928566079622 (7.48274e-05% change) linmin: converged after 3 iterations. iteration 136: trace = 2.429283972697248 (6.94895e-05% change) linmin: converged after 9 iterations. iteration 137: trace = 2.429281362924337 (0.00010743% change) linmin: converged after 3 iterations. iteration 138: trace = 2.429278118852213 (0.00013354% change) linmin: converged after 3 iterations. iteration 139: trace = 2.429275614525207 (0.000103089% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.42927409598177 (6.25102e-05% change) linmin: converged after 5 iterations. iteration 141: trace = 2.42927289908012 (4.92699e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.429271258249443 (6.75441e-05% change) linmin: converged after 3 iterations. iteration 143: trace = 2.429270235886694 (4.20852e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.429268647958751 (6.53665e-05% change) linmin: converged after 7 iterations. iteration 145: trace = 2.42926704584085 (6.59506e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.429266479973327 (2.32938e-05% change) large trace change predicted (8.08986e-05%) linmin: converged after 3 iterations. iteration 147: trace = 2.429264515434403 (8.08697e-05% change) linmin: converged after 4 iterations. iteration 148: trace = 2.42926334816456 (4.80504e-05% change) linmin: converged after 4 iterations. iteration 149: trace = 2.429261899908278 (5.96171e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.429259840646419 (8.47691e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.429256957670471 (0.000118677% change) linmin: converged after 3 iterations. iteration 152: trace = 2.429255776060519 (4.86408e-05% change) large trace change predicted (0.000132907%) linmin: converged after 3 iterations. iteration 153: trace = 2.429252548958497 (0.000132843% change) linmin: converged after 4 iterations. iteration 154: trace = 2.429251754706228 (3.26953e-05% change) large trace change predicted (0.000118786%) linmin: converged after 17 iterations. iteration 155: trace = 2.429248871948371 (0.000118669% change) linmin: converged after 3 iterations. iteration 156: trace = 2.429246735918261 (8.79297e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.429245833309891 (3.71559e-05% change) large trace change predicted (0.000116423%) linmin: converged after 8 iterations. iteration 158: trace = 2.429243005345469 (0.000116413% change) linmin: converged after 3 iterations. iteration 159: trace = 2.429241101779866 (7.83605e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 2.429240335506347 (3.15437e-05% change) large trace change predicted (9.3507e-05%) linmin: converged after 3 iterations. iteration 161: trace = 2.429238064622663 (9.34813e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.429235882997586 (8.9807e-05% change) linmin: converged after 4 iterations. iteration 163: trace = 2.429234980401422 (3.71556e-05% change) linmin: converged after 4 iterations. iteration 164: trace = 2.42923423123724 (3.08395e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.429233750911721 (1.97727e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.429233088670296 (2.72613e-05% change) linmin: converged after 4 iterations. iteration 167: trace = 2.429232294868338 (3.26771e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.429232092479231 (8.3314e-06% change) large trace change predicted (2.08687e-05%) linmin: converged after 3 iterations. iteration 169: trace = 2.429231585521984 (2.0869e-05% change) large trace change predicted (4.65916e-05%) linmin: converged after 5 iterations. iteration 170: trace = 2.429230452851343 (4.66267e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 2.42923003641728 (1.71426e-05% change) large trace change predicted (4.9594e-05%) linmin: converged after 3 iterations. iteration 172: trace = 2.429228831028408 (4.96202e-05% change) large trace change predicted (0.000101481%) linmin: converged after 3 iterations. iteration 173: trace = 2.429226362009262 (0.000101638% change) linmin: converged after 8 iterations. iteration 174: trace = 2.429225417340648 (3.88876e-05% change) large trace change predicted (0.00015174%) linmin: converged after 5 iterations. iteration 175: trace = 2.429221720389118 (0.000152187% change) linmin: converged after 8 iterations. iteration 176: trace = 2.42922057521934 (4.71414e-05% change) large trace change predicted (0.000101914%) linmin: converged after 3 iterations. iteration 177: trace = 2.429218093805543 (0.000102149% change) linmin: converged after 3 iterations. iteration 178: trace = 2.429216776163412 (5.42414e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.429216260438805 (2.12301e-05% change) linmin: converged after 3 iterations. iteration 180: trace = 2.429215479645262 (3.21418e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.429214791117453 (2.83436e-05% change) linmin: converged after 3 iterations. iteration 182: trace = 2.42921465892592 (5.44174e-06% change) large trace change predicted (1.81693e-05%) linmin: converged after 3 iterations. iteration 183: trace = 2.429214217504786 (1.81714e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.429213878554908 (1.39531e-05% change) linmin: converged after 4 iterations. iteration 185: trace = 2.429213475528831 (1.65908e-05% change) large trace change predicted (4.60529e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.429212356766668 (4.60545e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.42921172171569 (2.61423e-05% change) linmin: converged after 3 iterations. iteration 188: trace = 2.429211037753644 (2.81557e-05% change) large trace change predicted (6.15626e-05%) linmin: converged after 3 iterations. iteration 189: trace = 2.429209541977092 (6.15746e-05% change) linmin: converged after 4 iterations. iteration 190: trace = 2.429207963346268 (6.49854e-05% change) linmin: converged after 5 iterations. iteration 191: trace = 2.4292070388716 (3.80566e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.429205426903361 (6.63578e-05% change) linmin: converged after 7 iterations. iteration 193: trace = 2.429204296054082 (4.65522e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.429202808309655 (6.12441e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.429201125104358 (6.92905e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.429200275662924 (3.49679e-05% change) large trace change predicted (8.11891e-05%) linmin: converged after 3 iterations. iteration 197: trace = 2.42919830378711 (8.11739e-05% change) linmin: converged after 4 iterations. iteration 198: trace = 2.429196398587989 (7.84292e-05% change) linmin: converged after 3 iterations. iteration 199: trace = 2.429196159061805 (9.86031e-06% change) large trace change predicted (4.10336e-05%) linmin: converged after 4 iterations. iteration 200: trace = 2.429195162416827 (4.10278e-05% change) linmin: converged after 5 iterations. iteration 201: trace = 2.429194809229874 (1.45393e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.429194551279223 (1.06188e-05% change) large trace change predicted (2.65693e-05%) linmin: converged after 3 iterations. iteration 203: trace = 2.429193905991623 (2.65639e-05% change) linmin: converged after 4 iterations. iteration 204: trace = 2.429193570087664 (1.38278e-05% change) linmin: converged after 4 iterations. iteration 205: trace = 2.429193222930634 (1.4291e-05% change) large trace change predicted (3.24251e-05%) linmin: converged after 3 iterations. iteration 206: trace = 2.429192435152539 (3.24296e-05% change) linmin: converged after 3 iterations. iteration 207: trace = 2.4291921630543 (1.12012e-05% change) large trace change predicted (2.38952e-05%) linmin: converged after 3 iterations. iteration 208: trace = 2.42919158249233 (2.38994e-05% change) large trace change predicted (0.000111098%) linmin: converged after 5 iterations. iteration 209: trace = 2.429188884189141 (0.000111078% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.429188417663049 (1.9205e-05% change) large trace change predicted (3.87924e-05%) linmin: converged after 3 iterations. iteration 211: trace = 2.429187475341786 (3.87916e-05% change) linmin: converged after 2 iterations. iteration 212: trace = 2.429186915967879 (2.30272e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.429186735590805 (7.42541e-06% change) large trace change predicted (2.20942e-05%) linmin: converged after 3 iterations. iteration 214: trace = 2.429186198860606 (2.20951e-05% change) linmin: converged after 17 iterations. iteration 215: trace = 2.429185878642841 (1.31821e-05% change) linmin: converged after 5 iterations. iteration 216: trace = 2.429185770261154 (4.46165e-06% change) large trace change predicted (2.78323e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.429185094171956 (2.78319e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.429184909013692 (7.62224e-06% change) large trace change predicted (1.53145e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.429184537014271 (1.53138e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.42918417152118 (1.50459e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.42918393213037 (9.85478e-06% change) linmin: converged after 4 iterations. iteration 222: trace = 2.429183590611124 (1.4059e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.429183130075418 (1.89585e-05% change) linmin: converged after 4 iterations. iteration 224: trace = 2.429182974161737 (6.41836e-06% change) large trace change predicted (2.32489e-05%) linmin: converged after 4 iterations. iteration 225: trace = 2.42918240945807 (2.32467e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.429181944168396 (1.91542e-05% change) linmin: converged after 7 iterations. iteration 227: trace = 2.429181768390337 (7.2361e-06% change) large trace change predicted (3.06009e-05%) linmin: converged after 3 iterations. iteration 228: trace = 2.429181025453373 (3.05838e-05% change) linmin: converged after 5 iterations. iteration 229: trace = 2.429180461966678 (2.31966e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.429180207737434 (1.04656e-05% change) large trace change predicted (4.05241e-05%) linmin: converged after 9 iterations. iteration 231: trace = 2.429179223611912 (4.05127e-05% change) linmin: converged after 5 iterations. iteration 232: trace = 2.429179025585875 (8.15197e-06% change) large trace change predicted (2.09963e-05%) linmin: converged after 5 iterations. iteration 233: trace = 2.429178515612528 (2.09937e-05% change) linmin: converged after 10 iterations. iteration 234: trace = 2.429178320911897 (8.01508e-06% change) linmin: converged after 5 iterations. iteration 235: trace = 2.429178248027359 (3.00038e-06% change) large trace change predicted (9.55952e-06%) linmin: converged after 4 iterations. iteration 236: trace = 2.42917801581976 (9.5591e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.429177861901049 (6.33625e-06% change) linmin: converged after 18 iterations. iteration 238: trace = 2.429177747213046 (4.72127e-06% change) linmin: converged after 5 iterations. iteration 239: trace = 2.429177698299305 (2.01359e-06% change) large trace change predicted (1.11405e-05%) linmin: converged after 8 iterations. iteration 240: trace = 2.429177427738141 (1.1138e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.429177305472837 (5.0332e-06% change) linmin: converged after 6 iterations. iteration 242: trace = 2.429177204659053 (4.15012e-06% change) large trace change predicted (1.7675e-05%) linmin: converged after 15 iterations. iteration 243: trace = 2.429176775531757 (1.76655e-05% change) linmin: converged after 2 iterations. iteration 244: trace = 2.429176676169531 (4.09037e-06% change) large trace change predicted (1.92215e-05%) linmin: converged after 8 iterations. iteration 245: trace = 2.429176209583188 (1.92076e-05% change) linmin: converged after 5 iterations. iteration 246: trace = 2.429175810985335 (1.64088e-05% change) linmin: converged after 4 iterations. iteration 247: trace = 2.429175606454512 (8.41976e-06% change) linmin: converged after 3 iterations. iteration 248: trace = 2.429175235324235 (1.5278e-05% change) linmin: converged after 3 iterations. iteration 249: trace = 2.429174806497148 (1.76532e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.429174680882425 (5.17109e-06% change) large trace change predicted (1.79797e-05%) linmin: converged after 5 iterations. iteration 251: trace = 2.429174244340877 (1.79708e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.429174062259734 (7.4956e-06% change) linmin: converged after 3 iterations. iteration 253: trace = 2.429173793528956 (1.10626e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.42917345168899 (1.40723e-05% change) linmin: converged after 5 iterations. iteration 255: trace = 2.429173367085217 (3.48282e-06% change) linmin: converged after 3 iterations. iteration 256: trace = 2.429173285275176 (3.36781e-06% change) linmin: converged after 16 iterations. iteration 257: trace = 2.429173157686595 (5.25235e-06% change) linmin: converged after 19 iterations. iteration 258: trace = 2.429173124665559 (1.35935e-06% change) large trace change predicted (5.8885e-06%) linmin: converged after 3 iterations. iteration 259: trace = 2.429172981626833 (5.88837e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.429172805000309 (7.27106e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 2.429172679875048 (5.15094e-06% change) large trace change predicted (1.04768e-05%) linmin: converged after 5 iterations. iteration 262: trace = 2.429172425283692 (1.04806e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.429172162836944 (1.0804e-05% change) linmin: converged after 4 iterations. iteration 264: trace = 2.429171853052371 (1.27527e-05% change) linmin: converged after 5 iterations. iteration 265: trace = 2.429171375270278 (1.96685e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.429170756902879 (2.54559e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.429170563713625 (7.95289e-06% change) large trace change predicted (1.94942e-05%) linmin: converged after 3 iterations. iteration 268: trace = 2.429170089903602 (1.9505e-05% change) linmin: converged after 7 iterations. iteration 269: trace = 2.429169997198031 (3.81635e-06% change) large trace change predicted (1.09782e-05%) linmin: converged after 3 iterations. iteration 270: trace = 2.429169730438092 (1.09815e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.429169585969877 (5.94723e-06% change) linmin: converged after 4 iterations. iteration 272: trace = 2.429169513444048 (2.98562e-06% change) large trace change predicted (9.14273e-06%) linmin: converged after 3 iterations. iteration 273: trace = 2.429169291329733 (9.14363e-06% change) linmin: converged after 3 iterations. iteration 274: trace = 2.429169104533092 (7.68973e-06% change) linmin: converged after 9 iterations. iteration 275: trace = 2.429169019206554 (3.51258e-06% change) large trace change predicted (7.07632e-06%) linmin: converged after 3 iterations. iteration 276: trace = 2.429168847307157 (7.07647e-06% change) linmin: converged after 4 iterations. iteration 277: trace = 2.429168747622026 (4.10367e-06% change) linmin: converged after 3 iterations. iteration 278: trace = 2.429168631884506 (4.76449e-06% change) linmin: converged after 9 iterations. iteration 279: trace = 2.429168532093602 (4.10803e-06% change) resetting CG direction... linmin: converged after 12 iterations. iteration 280: trace = 2.4291684964183 (1.46862e-06% change) linmin: converged after 3 iterations. iteration 281: trace = 2.429168440493254 (2.30223e-06% change) large trace change predicted (4.78184e-06%) linmin: converged after 12 iterations. iteration 282: trace = 2.429168324337096 (4.78173e-06% change) linmin: converged after 3 iterations. iteration 283: trace = 2.429168281452561 (1.7654e-06% change) large trace change predicted (4.77569e-06%) linmin: converged after 3 iterations. iteration 284: trace = 2.429168165440978 (4.77577e-06% change) linmin: converged after 4 iterations. iteration 285: trace = 2.429168012705448 (6.28757e-06% change) linmin: converged after 3 iterations. iteration 286: trace = 2.42916796048866 (2.14958e-06% change) large trace change predicted (8.34541e-06%) linmin: converged after 8 iterations. iteration 287: trace = 2.429167757816693 (8.34327e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.429167658486002 (4.08908e-06% change) linmin: converged after 3 iterations. iteration 289: trace = 2.429167571186357 (3.59381e-06% change) large trace change predicted (7.19173e-06%) linmin: converged after 3 iterations. iteration 290: trace = 2.429167396516001 (7.19054e-06% change) linmin: converged after 21 iterations. iteration 291: trace = 2.429167288799497 (4.4343e-06% change) large trace change predicted (9.41372e-06%) linmin: converged after 3 iterations. iteration 292: trace = 2.42916706019453 (9.41084e-06% change) linmin: converged after 5 iterations. iteration 293: trace = 2.429166790637383 (1.10967e-05% change) linmin: converged after 2 iterations. iteration 294: trace = 2.429166700646225 (3.70461e-06% change) large trace change predicted (9.97237e-06%) linmin: converged after 5 iterations. iteration 295: trace = 2.429166458463594 (9.96978e-06% change) linmin: converged after 5 iterations. iteration 296: trace = 2.429166273287356 (7.62304e-06% change) linmin: converged after 3 iterations. iteration 297: trace = 2.429166214243364 (2.43063e-06% change) large trace change predicted (5.55686e-06%) linmin: converged after 3 iterations. iteration 298: trace = 2.429166079247588 (5.55729e-06% change) linmin: converged after 5 iterations. iteration 299: trace = 2.42916595125798 (5.26887e-06% change) linmin: converged after 5 iterations. iteration 300: trace = 2.42916592282076 (1.17066e-06% change) large trace change predicted (4.49744e-06%) linmin: converged after 3 iterations. iteration 301: trace = 2.429165813577227 (4.49716e-06% change) linmin: converged after 3 iterations. iteration 302: trace = 2.429165796577458 (6.99819e-07% change) large trace change predicted (2.49075e-06%) linmin: converged after 28 iterations. iteration 303: trace = 2.429165736079905 (2.49047e-06% change) linmin: converged after 10 iterations. iteration 304: trace = 2.429165697146961 (1.60273e-06% change) linmin: converged after 6 iterations. iteration 305: trace = 2.429165679806006 (7.13865e-07% change) large trace change predicted (3.42752e-06%) linmin: converged after 4 iterations. iteration 306: trace = 2.429165596541317 (3.42771e-06% change) linmin: converged after 3 iterations. iteration 307: trace = 2.42916551057928 (3.53875e-06% change) linmin: converged after 13 iterations. iteration 308: trace = 2.429165452112139 (2.40688e-06% change) linmin: converged after 5 iterations. iteration 309: trace = 2.429165391596641 (2.49121e-06% change) large trace change predicted (5.07692e-06%) linmin: converged after 6 iterations. iteration 310: trace = 2.429165268222554 (5.07887e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.429165206363174 (2.54653e-06% change) large trace change predicted (5.43046e-06%) linmin: converged after 3 iterations. iteration 312: trace = 2.429165074413008 (5.43191e-06% change) linmin: converged after 4 iterations. iteration 313: trace = 2.429164892245254 (7.49919e-06% change) linmin: converged after 5 iterations. iteration 314: trace = 2.429164849258548 (1.76961e-06% change) large trace change predicted (6.15247e-06%) linmin: converged after 5 iterations. iteration 315: trace = 2.429164699752117 (6.15464e-06% change) linmin: converged after 7 iterations. iteration 316: trace = 2.429164638771448 (2.51036e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.429164550226917 (3.64506e-06% change) linmin: converged after 6 iterations. iteration 318: trace = 2.429164479965706 (2.8924e-06% change) linmin: converged after 7 iterations. iteration 319: trace = 2.429164428042301 (2.1375e-06% change) linmin: converged after 6 iterations. iteration 320: trace = 2.42916433563347 (3.80414e-06% change) linmin: converged after 6 iterations. iteration 321: trace = 2.429164273072414 (2.57541e-06% change) linmin: converged after 5 iterations. iteration 322: trace = 2.429164251889688 (8.72017e-07% change) large trace change predicted (2.15234e-06%) linmin: converged after 31 iterations. iteration 323: trace = 2.429164199604794 (2.15238e-06% change) linmin: converged after 4 iterations. iteration 324: trace = 2.429164141863048 (2.37702e-06% change) linmin: converged after 3 iterations. iteration 325: trace = 2.429164127630346 (5.85909e-07% change) linmin: converged after 3 iterations. iteration 326: trace = 2.429164104061229 (9.70256e-07% change) large trace change predicted (2.21783e-06%) linmin: converged after 11 iterations. iteration 327: trace = 2.429164050187693 (2.21778e-06% change) linmin: converged after 5 iterations. iteration 328: trace = 2.429164034353503 (6.51837e-07% change) large trace change predicted (3.00202e-06%) linmin: converged after 15 iterations. iteration 329: trace = 2.429163961434901 (3.0018e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.429163889770653 (2.95016e-06% change) linmin: converged after 12 iterations. iteration 331: trace = 2.42916383487541 (2.25984e-06% change) large trace change predicted (5.68134e-06%) linmin: converged after 3 iterations. iteration 332: trace = 2.429163696882009 (5.6807e-06% change) linmin: converged after 4 iterations. iteration 333: trace = 2.429163570432511 (5.20547e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.429163481349127 (3.66725e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.429163344316766 (5.64113e-06% change) linmin: converged after 4 iterations. iteration 336: trace = 2.429163265834819 (3.23082e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.42916317946051 (3.55572e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.429163085013065 (3.88807e-06% change) linmin: converged after 39 iterations. iteration 339: trace = 2.429163066798336 (7.49836e-07% change) large trace change predicted (2.4415e-06%) linmin: converged after 15 iterations. iteration 340: trace = 2.429163007491066 (2.44147e-06% change) linmin: converged after 12 iterations. iteration 341: trace = 2.429162963036354 (1.83004e-06% change) linmin: converged after 18 iterations. iteration 342: trace = 2.429162948635061 (5.9285e-07% change) large trace change predicted (3.10214e-06%) linmin: converged after 3 iterations. iteration 343: trace = 2.4291628732808 (3.10207e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.429162825499415 (1.96699e-06% change) linmin: converged after 3 iterations. iteration 345: trace = 2.429162809116475 (6.74427e-07% change) large trace change predicted (2.00799e-06%) linmin: converged after 2 iterations. iteration 346: trace = 2.429162760339046 (2.00799e-06% change) linmin: converged after 4 iterations. iteration 347: trace = 2.429162724432277 (1.47815e-06% change) linmin: converged after 4 iterations. iteration 348: trace = 2.429162698551296 (1.06543e-06% change) large trace change predicted (2.23223e-06%) linmin: converged after 5 iterations. iteration 349: trace = 2.4291626443277 (2.23219e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.429162606880206 (1.54158e-06% change) linmin: converged after 3 iterations. iteration 351: trace = 2.429162592627571 (5.8673e-07% change) large trace change predicted (1.69493e-06%) linmin: converged after 2 iterations. iteration 352: trace = 2.429162551455 (1.69493e-06% change) linmin: converged after 12 iterations. iteration 353: trace = 2.42916252138295 (1.23796e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.429162501479733 (8.19345e-07% change) large trace change predicted (1.82735e-06%) linmin: converged after 6 iterations. iteration 355: trace = 2.429162457090289 (1.82736e-06% change) linmin: converged after 6 iterations. iteration 356: trace = 2.429162440909697 (6.66098e-07% change) large trace change predicted (2.34219e-06%) linmin: converged after 2 iterations. iteration 357: trace = 2.429162384014163 (2.34219e-06% change) linmin: converged after 5 iterations. iteration 358: trace = 2.429162349681781 (1.41334e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.429162330473176 (7.9075e-07% change) linmin: converged after 8 iterations. iteration 360: trace = 2.429162296920965 (1.38123e-06% change) linmin: converged after 2 iterations. iteration 361: trace = 2.429162235219772 (2.54002e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.429162220071998 (6.2358e-07% change) large trace change predicted (2.67787e-06%) linmin: converged after 5 iterations. iteration 363: trace = 2.429162155020347 (2.67795e-06% change) linmin: converged after 2 iterations. iteration 364: trace = 2.429162083523964 (2.94325e-06% change) linmin: converged after 7 iterations. iteration 365: trace = 2.429162046332947 (1.53102e-06% change) large trace change predicted (3.42156e-06%) linmin: converged after 2 iterations. iteration 366: trace = 2.429161963216603 (3.42161e-06% change) linmin: converged after 3 iterations. iteration 367: trace = 2.429161898126555 (2.67953e-06% change) linmin: converged after 7 iterations. iteration 368: trace = 2.429161872295726 (1.06336e-06% change) large trace change predicted (2.28311e-06%) linmin: converged after 4 iterations. iteration 369: trace = 2.429161816835373 (2.28311e-06% change) linmin: converged after 17 iterations. iteration 370: trace = 2.42916179829711 (7.63155e-07% change) linmin: converged after 3 iterations. iteration 371: trace = 2.429161774001537 (1.00016e-06% change) linmin: converged after 4 iterations. iteration 372: trace = 2.429161756942047 (7.02279e-07% change) linmin: converged after 3 iterations. iteration 373: trace = 2.429161747951866 (3.70094e-07% change) linmin: converged after 3 iterations. iteration 374: trace = 2.429161736740186 (4.61545e-07% change) large trace change predicted (9.93069e-07%) linmin: converged after 4 iterations. iteration 375: trace = 2.429161712617764 (9.93035e-07% change) linmin: converged after 3 iterations. iteration 376: trace = 2.429161706277334 (2.61013e-07% change) large trace change predicted (9.6954e-07%) linmin: converged after 3 iterations. iteration 377: trace = 2.429161682726784 (9.69493e-07% change) linmin: converged after 15 iterations. iteration 378: trace = 2.42916165696918 (1.06035e-06% change) linmin: converged after 4 iterations. iteration 379: trace = 2.429161631436572 (1.05109e-06% change) linmin: converged after 5 iterations. iteration 380: trace = 2.429161615532259 (6.54724e-07% change) large trace change predicted (1.42807e-06%) linmin: converged after 6 iterations. iteration 381: trace = 2.429161580845463 (1.42793e-06% change) linmin: converged after 25 iterations. iteration 382: trace = 2.429161547566768 (1.36997e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.429161526503495 (8.67101e-07% change) large trace change predicted (1.92608e-06%) linmin: converged after 9 iterations. iteration 384: trace = 2.429161479721524 (1.92585e-06% change) linmin: converged after 6 iterations. iteration 385: trace = 2.429161467676568 (4.95848e-07% change) large trace change predicted (2.38017e-06%) linmin: converged after 9 iterations. iteration 386: trace = 2.429161409865471 (2.37988e-06% change) linmin: converged after 5 iterations. iteration 387: trace = 2.429161370736981 (1.61078e-06% change) linmin: converged after 4 iterations. iteration 388: trace = 2.429161353649504 (7.03431e-07% change) large trace change predicted (1.69145e-06%) linmin: converged after 5 iterations. iteration 389: trace = 2.429161312564659 (1.69132e-06% change) linmin: converged after 5 iterations. iteration 390: trace = 2.429161289374483 (9.54658e-07% change) linmin: converged after 10 iterations. iteration 391: trace = 2.429161275905912 (5.54454e-07% change) linmin: converged after 2 iterations. iteration 392: trace = 2.429161254799956 (8.68858e-07% change) linmin: converged after 4 iterations. iteration 393: trace = 2.429161245438828 (3.85365e-07% change) linmin: converged after 3 iterations. iteration 394: trace = 2.429161229402593 (6.60155e-07% change) linmin: converged after 23 iterations. iteration 395: trace = 2.429161219232758 (4.18656e-07% change) linmin: converged after 3 iterations. iteration 396: trace = 2.429161208096996 (4.5842e-07% change) linmin: converged after 21 iterations. iteration 397: trace = 2.429161201432734 (2.74344e-07% change) large trace change predicted (9.31855e-07%) linmin: converged after 4 iterations. iteration 398: trace = 2.429161178796045 (9.31873e-07% change) linmin: converged after 18 iterations. iteration 399: trace = 2.429161174266039 (1.86484e-07% change) large trace change predicted (1.12087e-06%) linmin: converged after 29 iterations. iteration 400: trace = 2.42916114703788 (1.12089e-06% change) linmin: converged after 7 iterations. iteration 401: trace = 2.429161116753245 (1.24671e-06% change) linmin: converged after 28 iterations. iteration 402: trace = 2.429161103903051 (5.28997e-07% change) large trace change predicted (1.36412e-06%) linmin: converged after 3 iterations. iteration 403: trace = 2.429161070766495 (1.36412e-06% change) linmin: converged after 6 iterations. iteration 404: trace = 2.429161031675101 (1.60925e-06% change) linmin: converged after 5 iterations. iteration 405: trace = 2.429161018395096 (5.46691e-07% change) large trace change predicted (2.19263e-06%) linmin: converged after 4 iterations. iteration 406: trace = 2.429160965117012 (2.19327e-06% change) linmin: converged after 10 iterations. iteration 407: trace = 2.42916094607832 (7.83756e-07% change) linmin: converged after 14 iterations. iteration 408: trace = 2.429160915406335 (1.26266e-06% change) linmin: converged after 6 iterations. iteration 409: trace = 2.429160890787283 (1.01348e-06% change) linmin: converged after 10 iterations. iteration 410: trace = 2.429160865912935 (1.02399e-06% change) linmin: converged after 4 iterations. iteration 411: trace = 2.429160859681612 (2.56522e-07% change) large trace change predicted (1.04374e-06%) linmin: converged after 3 iterations. iteration 412: trace = 2.429160834324978 (1.04384e-06% change) linmin: converged after 13 iterations. iteration 413: trace = 2.429160822552582 (4.84628e-07% change) linmin: converged after 3 iterations. iteration 414: trace = 2.429160810479629 (4.97001e-07% change) linmin: converged after 2 iterations. iteration 415: trace = 2.429160794270682 (6.67265e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.429160786868144 (3.04736e-07% change) linmin: converged after 9 iterations. iteration 417: trace = 2.429160778191858 (3.57172e-07% change) linmin: converged after 3 iterations. iteration 418: trace = 2.429160770947577 (2.98222e-07% change) large trace change predicted (7.45595e-07%) linmin: converged after 4 iterations. iteration 419: trace = 2.429160752836823 (7.45556e-07% change) resetting CG direction... linmin: converged after 12 iterations. iteration 420: trace = 2.429160739586965 (5.4545e-07% change) linmin: converged after 6 iterations. iteration 421: trace = 2.429160730537375 (3.7254e-07% change) linmin: converged after 2 iterations. iteration 422: trace = 2.429160724763051 (2.37709e-07% change) linmin: converged after 7 iterations. iteration 423: trace = 2.429160719570453 (2.13761e-07% change) large trace change predicted (7.00133e-07%) linmin: converged after 21 iterations. iteration 424: trace = 2.429160702563295 (7.00125e-07% change) linmin: converged after 4 iterations. iteration 425: trace = 2.429160697115749 (2.24256e-07% change) large trace change predicted (5.1037e-07%) linmin: converged after 6 iterations. iteration 426: trace = 2.42916068471825 (5.10361e-07% change) linmin: converged after 6 iterations. iteration 427: trace = 2.429160666635492 (7.44404e-07% change) linmin: converged after 4 iterations. iteration 428: trace = 2.429160659172078 (3.07243e-07% change) linmin: converged after 7 iterations. iteration 429: trace = 2.429160644444301 (6.06291e-07% change) linmin: converged after 4 iterations. iteration 430: trace = 2.429160624952865 (8.02394e-07% change) linmin: converged after 9 iterations. iteration 431: trace = 2.429160619104701 (2.40748e-07% change) large trace change predicted (9.7676e-07%) linmin: converged after 11 iterations. iteration 432: trace = 2.429160595379874 (9.76668e-07% change) linmin: converged after 3 iterations. iteration 433: trace = 2.4291605797672 (6.42719e-07% change) linmin: converged after 6 iterations. iteration 434: trace = 2.429160557386624 (9.2133e-07% change) linmin: converged after 10 iterations. iteration 435: trace = 2.429160537761554 (8.07895e-07% change) linmin: converged after 10 iterations. iteration 436: trace = 2.429160526861633 (4.48711e-07% change) linmin: converged after 17 iterations. iteration 437: trace = 2.429160510496093 (6.73712e-07% change) linmin: converged after 3 iterations. iteration 438: trace = 2.429160494711398 (6.498e-07% change) linmin: converged after 5 iterations. iteration 439: trace = 2.429160486694368 (3.30033e-07% change) linmin: converged after 15 iterations. iteration 440: trace = 2.42916047882103 (3.24118e-07% change) linmin: converged after 13 iterations. iteration 441: trace = 2.429160470234992 (3.53457e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.429160467856385 (9.79189e-08% change) linmin: converged after 19 iterations. iteration 443: trace = 2.429160463831151 (1.65705e-07% change) linmin: converged after 7 iterations. iteration 444: trace = 2.429160457686066 (2.52972e-07% change) linmin: converged after 4 iterations. iteration 445: trace = 2.429160455712316 (8.12523e-08% change) large trace change predicted (4.03865e-07%) linmin: converged after 6 iterations. iteration 446: trace = 2.429160445901539 (4.03875e-07% change) linmin: converged after 9 iterations. iteration 447: trace = 2.429160436720489 (3.77952e-07% change) linmin: converged after 2 iterations. iteration 448: trace = 2.429160433539449 (1.30952e-07% change) large trace change predicted (4.12445e-07%) linmin: converged after 11 iterations. iteration 449: trace = 2.429160423520147 (4.12459e-07% change) linmin: converged after 3 iterations. iteration 450: trace = 2.429160409222536 (5.88582e-07% change) linmin: converged after 4 iterations. iteration 451: trace = 2.429160403858268 (2.20828e-07% change) large trace change predicted (5.3769e-07%) linmin: converged after 5 iterations. iteration 452: trace = 2.429160390796208 (5.37719e-07% change) linmin: converged after 6 iterations. iteration 453: trace = 2.429160369243609 (8.87245e-07% change) linmin: converged after 5 iterations. iteration 454: trace = 2.429160365273726 (1.63426e-07% change) large trace change predicted (6.34754e-07%) linmin: converged after 9 iterations. iteration 455: trace = 2.429160349852637 (6.34832e-07% change) linmin: converged after 2 iterations. iteration 456: trace = 2.429160340465358 (3.86441e-07% change) linmin: converged after 17 iterations. iteration 457: trace = 2.429160335681417 (1.96938e-07% change) linmin: converged after 4 iterations. iteration 458: trace = 2.429160328469846 (2.96875e-07% change) linmin: converged after 8 iterations. iteration 459: trace = 2.42916032225174 (2.55978e-07% change) linmin: converged after 19 iterations. iteration 460: trace = 2.42916031538806 (2.82554e-07% change) linmin: converged after 5 iterations. iteration 461: trace = 2.429160307051307 (3.43195e-07% change) linmin: converged after 8 iterations. iteration 462: trace = 2.429160304951536 (8.64402e-08% change) large trace change predicted (2.06878e-07%) linmin: converged after 3 iterations. iteration 463: trace = 2.429160299926093 (2.0688e-07% change) linmin: converged after 6 iterations. iteration 464: trace = 2.429160295228535 (1.93382e-07% change) linmin: converged after 9 iterations. iteration 465: trace = 2.429160292940201 (9.42027e-08% change) linmin: converged after 4 iterations. iteration 466: trace = 2.429160289924876 (1.2413e-07% change) linmin: converged after 9 iterations. iteration 467: trace = 2.429160284427077 (2.26325e-07% change) linmin: converged after 2 iterations. iteration 468: trace = 2.429160283390882 (4.26565e-08% change) large trace change predicted (3.37778e-07%) linmin: converged after 10 iterations. iteration 469: trace = 2.429160275185771 (3.37776e-07% change) linmin: converged after 6 iterations. iteration 470: trace = 2.429160272626115 (1.05372e-07% change) large trace change predicted (4.14223e-07%) linmin: converged after 3 iterations. iteration 471: trace = 2.429160262564194 (4.14214e-07% change) linmin: converged after 3 iterations. iteration 472: trace = 2.429160251210739 (4.67382e-07% change) linmin: converged after 6 iterations. iteration 473: trace = 2.42916023576294 (6.35932e-07% change) linmin: converged after 3 iterations. iteration 474: trace = 2.429160231032962 (1.94717e-07% change) large trace change predicted (6.67413e-07%) linmin: converged after 20 iterations. iteration 475: trace = 2.429160214821227 (6.6738e-07% change) linmin: converged after 4 iterations. iteration 476: trace = 2.429160203867546 (4.50925e-07% change) linmin: converged after 4 iterations. iteration 477: trace = 2.429160199322132 (1.87119e-07% change) large trace change predicted (3.81325e-07%) linmin: converged after 27 iterations. iteration 478: trace = 2.429160190059395 (3.81314e-07% change) linmin: converged after 4 iterations. iteration 479: trace = 2.429160184963958 (2.09761e-07% change) linmin: converged after 4 iterations. iteration 480: trace = 2.429160182536235 (9.99409e-08% change) linmin: converged after 5 iterations. iteration 481: trace = 2.429160178153689 (1.80414e-07% change) linmin: converged after 3 iterations. iteration 482: trace = 2.429160173265569 (2.01227e-07% change) linmin: converged after 6 iterations. iteration 483: trace = 2.429160168444519 (1.98466e-07% change) linmin: converged after 31 iterations. iteration 484: trace = 2.429160162554148 (2.42486e-07% change) linmin: converged after 15 iterations. iteration 485: trace = 2.42916016098529 (6.45844e-08% change) large trace change predicted (1.51359e-07%) linmin: converged after 3 iterations. iteration 486: trace = 2.429160157308518 (1.5136e-07% change) linmin: converged after 21 iterations. iteration 487: trace = 2.429160152064144 (2.15892e-07% change) linmin: converged after 13 iterations. iteration 488: trace = 2.429160150600116 (6.02689e-08% change) large trace change predicted (1.65788e-07%) linmin: converged after 3 iterations. iteration 489: trace = 2.429160146572889 (1.65787e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.429160143109999 (1.42555e-07% change) linmin: converged after 13 iterations. iteration 491: trace = 2.429160141774804 (5.49653e-08% change) large trace change predicted (1.87946e-07%) linmin: converged after 16 iterations. iteration 492: trace = 2.429160137209224 (1.87949e-07% change) linmin: converged after 3 iterations. iteration 493: trace = 2.429160134545369 (1.09662e-07% change) linmin: converged after 5 iterations. iteration 494: trace = 2.429160132729607 (7.47485e-08% change) large trace change predicted (2.19501e-07%) linmin: converged after 8 iterations. iteration 495: trace = 2.429160127397544 (2.19502e-07% change) linmin: converged after 16 iterations. iteration 496: trace = 2.429160125965343 (5.89587e-08% change) large trace change predicted (2.6351e-07%) linmin: converged after 3 iterations. iteration 497: trace = 2.429160119564294 (2.63509e-07% change) linmin: converged after 8 iterations. iteration 498: trace = 2.429160116734033 (1.16512e-07% change) linmin: converged after 3 iterations. iteration 499: trace = 2.429160115191659 (6.34941e-08% change) large trace change predicted (1.9236e-07%) linmin: converged after 3 iterations. iteration 500: trace = 2.429160110518885 (1.92362e-07% change) linmin: converged after 12 iterations. iteration 501: trace = 2.429160105528207 (2.05449e-07% change) linmin: converged after 15 iterations. iteration 502: trace = 2.429160102894765 (1.0841e-07% change) large trace change predicted (3.11111e-07%) linmin: converged after 23 iterations. iteration 503: trace = 2.429160095337199 (3.11118e-07% change) linmin: converged after 6 iterations. iteration 504: trace = 2.429160092159261 (1.30825e-07% change) large trace change predicted (3.09998e-07%) linmin: converged after 5 iterations. iteration 505: trace = 2.42916008462877 (3.10004e-07% change) linmin: converged after 7 iterations. iteration 506: trace = 2.42916007621103 (3.46529e-07% change) linmin: converged after 3 iterations. iteration 507: trace = 2.429160071827713 (1.80446e-07% change) linmin: converged after 7 iterations. iteration 508: trace = 2.429160067386099 (1.82846e-07% change) linmin: converged after 4 iterations. iteration 509: trace = 2.42916006115866 (2.56362e-07% change) linmin: converged after 4 iterations. iteration 510: trace = 2.429160059047279 (8.69181e-08% change) linmin: converged after 4 iterations. iteration 511: trace = 2.429160056746093 (9.47318e-08% change) linmin: converged after 4 iterations. iteration 512: trace = 2.429160054673741 (8.53115e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.429160053823607 (3.4997e-08% change) linmin: converged after 4 iterations. iteration 514: trace = 2.429160052906892 (3.77379e-08% change) large trace change predicted (1.10361e-07%) linmin: converged after 7 iterations. iteration 515: trace = 2.429160050226149 (1.10357e-07% change) linmin: converged after 8 iterations. iteration 516: trace = 2.429160049619317 (2.49812e-08% change) large trace change predicted (1.03891e-07%) linmin: converged after 4 iterations. iteration 517: trace = 2.429160047095664 (1.0389e-07% change) linmin: converged after 8 iterations. iteration 518: trace = 2.42916004369386 (1.4004e-07% change) linmin: converged after 6 iterations. iteration 519: trace = 2.429160042766972 (3.81567e-08% change) large trace change predicted (1.87188e-07%) linmin: converged after 4 iterations. iteration 520: trace = 2.429160038220054 (1.87181e-07% change) linmin: converged after 6 iterations. iteration 521: trace = 2.429160035383047 (1.1679e-07% change) linmin: converged after 7 iterations. iteration 522: trace = 2.429160031368913 (1.65248e-07% change) linmin: converged after 14 iterations. iteration 523: trace = 2.429160029550924 (7.48402e-08% change) large trace change predicted (1.99251e-07%) linmin: converged after 7 iterations. iteration 524: trace = 2.429160024711098 (1.99239e-07% change) linmin: converged after 9 iterations. iteration 525: trace = 2.429160023518538 (4.90935e-08% change) large trace change predicted (2.43829e-07%) linmin: converged after 4 iterations. iteration 526: trace = 2.429160017595835 (2.43817e-07% change) linmin: converged after 8 iterations. iteration 527: trace = 2.429160012997484 (1.89298e-07% change) linmin: converged after 4 iterations. iteration 528: trace = 2.429160010747484 (9.26246e-08% change) linmin: converged after 7 iterations. iteration 529: trace = 2.429160007290114 (1.42328e-07% change) linmin: converged after 6 iterations. iteration 530: trace = 2.429160004353959 (1.20871e-07% change) linmin: converged after 13 iterations. iteration 531: trace = 2.4291600034548 (3.70152e-08% change) large trace change predicted (9.26542e-08%) linmin: converged after 6 iterations. iteration 532: trace = 2.429160001204094 (9.26537e-08% change) linmin: converged after 4 iterations. iteration 533: trace = 2.429159999953416 (5.1486e-08% change) linmin: converged after 30 iterations. iteration 534: trace = 2.429159998640363 (5.40538e-08% change) linmin: converged after 2 iterations. iteration 535: trace = 2.429159997603382 (4.26888e-08% change) linmin: converged after 4 iterations. iteration 536: trace = 2.429159996198432 (5.78369e-08% change) linmin: converged after 3 iterations. iteration 537: trace = 2.429159995773238 (1.75037e-08% change) large trace change predicted (1.01276e-07%) linmin: converged after 12 iterations. iteration 538: trace = 2.429159993313064 (1.01277e-07% change) linmin: converged after 7 iterations. iteration 539: trace = 2.42915999214017 (4.82839e-08% change) large trace change predicted (9.70116e-08%) linmin: converged after 4 iterations. iteration 540: trace = 2.429159989783568 (9.7013e-08% change) linmin: converged after 4 iterations. iteration 541: trace = 2.429159986517198 (1.34465e-07% change) linmin: converged after 2 iterations. iteration 542: trace = 2.429159985396192 (4.61479e-08% change) large trace change predicted (1.71976e-07%) linmin: converged after 4 iterations. iteration 543: trace = 2.429159981218528 (1.7198e-07% change) linmin: converged after 17 iterations. iteration 544: trace = 2.429159977633575 (1.4758e-07% change) linmin: converged after 4 iterations. iteration 545: trace = 2.429159976264367 (5.63655e-08% change) large trace change predicted (2.14959e-07%) linmin: converged after 10 iterations. iteration 546: trace = 2.429159971042408 (2.1497e-07% change) linmin: converged after 7 iterations. iteration 547: trace = 2.429159967060587 (1.63918e-07% change) linmin: converged after 9 iterations. iteration 548: trace = 2.42915996621577 (3.47781e-08% change) large trace change predicted (1.35427e-07%) linmin: converged after 6 iterations. iteration 549: trace = 2.429159962925931 (1.35431e-07% change) linmin: converged after 32 iterations. iteration 550: trace = 2.429159961511705 (5.82187e-08% change) linmin: converged after 9 iterations. iteration 551: trace = 2.429159960614168 (3.69484e-08% change) large trace change predicted (1.1284e-07%) linmin: converged after 10 iterations. iteration 552: trace = 2.429159957873047 (1.12842e-07% change) linmin: converged after 4 iterations. iteration 553: trace = 2.429159956828478 (4.30013e-08% change) linmin: converged after 4 iterations. iteration 554: trace = 2.429159955707717 (4.61378e-08% change) linmin: converged after 4 iterations. iteration 555: trace = 2.429159953635327 (8.5313e-08% change) linmin: converged after 4 iterations. iteration 556: trace = 2.429159952567418 (4.39621e-08% change) linmin: converged after 4 iterations. iteration 557: trace = 2.42915995209386 (1.94947e-08% change) linmin: converged after 3 iterations. iteration 558: trace = 2.429159951198521 (3.6858e-08% change) large trace change predicted (1.36283e-07%) linmin: converged after 8 iterations. iteration 559: trace = 2.429159947887974 (1.36284e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.429159945619617 (9.33803e-08% change) linmin: converged after 4 iterations. iteration 561: trace = 2.429159944225417 (5.73943e-08% change) linmin: converged after 6 iterations. iteration 562: trace = 2.429159943810292 (1.70893e-08% change) linmin: converged after 4 iterations. iteration 563: trace = 2.429159943266191 (2.23987e-08% change) large trace change predicted (8.02862e-08%) linmin: converged after 5 iterations. iteration 564: trace = 2.429159941315925 (8.02856e-08% change) linmin: converged after 4 iterations. iteration 565: trace = 2.429159940820047 (2.04136e-08% change) large trace change predicted (6.08647e-08%) linmin: converged after 4 iterations. iteration 566: trace = 2.429159939341557 (6.08643e-08% change) linmin: converged after 14 iterations. iteration 567: trace = 2.429159937987567 (5.5739e-08% change) linmin: converged after 4 iterations. iteration 568: trace = 2.429159937489906 (2.0487e-08% change) large trace change predicted (7.53502e-08%) linmin: converged after 10 iterations. iteration 569: trace = 2.429159935659628 (7.53461e-08% change) linmin: converged after 5 iterations. iteration 570: trace = 2.42915993421171 (5.96057e-08% change) linmin: converged after 3 iterations. iteration 571: trace = 2.429159933553923 (2.70788e-08% change) large trace change predicted (1.16014e-07%) linmin: converged after 15 iterations. iteration 572: trace = 2.429159930735858 (1.1601e-07% change) linmin: converged after 11 iterations. iteration 573: trace = 2.42915992974513 (4.07848e-08% change) large trace change predicted (1.21538e-07%) linmin: converged after 26 iterations. iteration 574: trace = 2.429159926792872 (1.21534e-07% change) linmin: converged after 14 iterations. iteration 575: trace = 2.429159924762228 (8.35945e-08% change) linmin: converged after 11 iterations. iteration 576: trace = 2.429159922770588 (8.19889e-08% change) linmin: converged after 7 iterations. iteration 577: trace = 2.42915992195133 (3.3726e-08% change) large trace change predicted (7.86519e-08%) linmin: converged after 4 iterations. iteration 578: trace = 2.429159920040788 (7.86503e-08% change) linmin: converged after 6 iterations. iteration 579: trace = 2.429159919300949 (3.04566e-08% change) linmin: converged after 4 iterations. iteration 580: trace = 2.429159918469713 (3.4219e-08% change) linmin: converged after 19 iterations. iteration 581: trace = 2.429159917560508 (3.74288e-08% change) linmin: converged after 6 iterations. iteration 582: trace = 2.429159917268661 (1.20143e-08% change) linmin: converged after 3 iterations. iteration 583: trace = 2.429159916816157 (1.8628e-08% change) linmin: converged after 6 iterations. iteration 584: trace = 2.429159916258878 (2.29412e-08% change) linmin: converged after 5 iterations. iteration 585: trace = 2.42915991547506 (3.2267e-08% change) linmin: converged after 14 iterations. iteration 586: trace = 2.429159915268955 (8.48465e-09% change) large trace change predicted (4.5446e-08%) linmin: converged after 24 iterations. iteration 587: trace = 2.429159914164989 (4.54464e-08% change) linmin: converged after 5 iterations. iteration 588: trace = 2.429159913628775 (2.20741e-08% change) linmin: converged after 5 iterations. iteration 589: trace = 2.429159913056678 (2.35512e-08% change) large trace change predicted (5.75605e-08%) linmin: converged after 4 iterations. iteration 590: trace = 2.429159911658389 (5.75626e-08% change) linmin: converged after 4 iterations. iteration 591: trace = 2.429159910347674 (5.39576e-08% change) linmin: converged after 6 iterations. iteration 592: trace = 2.429159909650985 (2.86802e-08% change) large trace change predicted (8.3773e-08%) linmin: converged after 17 iterations. iteration 593: trace = 2.429159907615959 (8.37749e-08% change) linmin: converged after 6 iterations. iteration 594: trace = 2.429159907006183 (2.51023e-08% change) large trace change predicted (7.01285e-08%) linmin: converged after 4 iterations. iteration 595: trace = 2.429159905302602 (7.01305e-08% change) linmin: converged after 16 iterations. iteration 596: trace = 2.429159904225642 (4.43347e-08% change) linmin: converged after 6 iterations. iteration 597: trace = 2.429159903421816 (3.30907e-08% change) linmin: converged after 4 iterations. iteration 598: trace = 2.429159902865782 (2.289e-08% change) large trace change predicted (4.80762e-08%) linmin: converged after 2 iterations. iteration 599: trace = 2.429159901697921 (4.80767e-08% change) linmin: converged after 4 iterations. iteration 600: trace = 2.429159901434025 (1.08637e-08% change) large trace change predicted (3.87386e-08%) linmin: converged after 4 iterations. iteration 601: trace = 2.429159900492991 (3.87391e-08% change) linmin: converged after 12 iterations. iteration 602: trace = 2.429159899823337 (2.75673e-08% change) linmin: converged after 13 iterations. iteration 603: trace = 2.429159899480456 (1.41152e-08% change) linmin: converged after 5 iterations. iteration 604: trace = 2.429159899170993 (1.27395e-08% change) linmin: converged after 4 iterations. iteration 605: trace = 2.429159898725686 (1.83317e-08% change) linmin: converged after 4 iterations. iteration 606: trace = 2.429159898475882 (1.02835e-08% change) linmin: converged after 3 iterations. iteration 607: trace = 2.429159898219494 (1.05546e-08% change) large trace change predicted (2.7167e-08%) linmin: converged after 4 iterations. iteration 608: trace = 2.429159897559575 (2.71666e-08% change) linmin: converged after 13 iterations. iteration 609: trace = 2.429159897437141 (5.04016e-09% change) large trace change predicted (4.4209e-08%) linmin: converged after 7 iterations. iteration 610: trace = 2.429159896363256 (4.42081e-08% change) linmin: converged after 8 iterations. iteration 611: trace = 2.429159895991292 (1.53125e-08% change) large trace change predicted (3.77759e-08%) linmin: converged after 15 iterations. iteration 612: trace = 2.429159895073667 (3.77754e-08% change) linmin: converged after 4 iterations. iteration 613: trace = 2.429159893485998 (6.53588e-08% change) linmin: converged after 15 iterations. iteration 614: trace = 2.429159891590764 (7.80202e-08% change) linmin: converged after 4 iterations. iteration 615: trace = 2.429159891078084 (2.11052e-08% change) large trace change predicted (4.72098e-08%) linmin: converged after 4 iterations. iteration 616: trace = 2.429159889931285 (4.72097e-08% change) linmin: converged after 4 iterations. iteration 617: trace = 2.429159889318 (2.52468e-08% change) linmin: converged after 30 iterations. iteration 618: trace = 2.429159888699695 (2.54534e-08% change) linmin: converged after 7 iterations. iteration 619: trace = 2.42915988808479 (2.53135e-08% change) linmin: converged after 3 iterations. iteration 620: trace = 2.429159887817831 (1.09898e-08% change) linmin: converged after 4 iterations. iteration 621: trace = 2.429159887443118 (1.54256e-08% change) large trace change predicted (3.52274e-08%) linmin: converged after 6 iterations. iteration 622: trace = 2.429159886587396 (3.52271e-08% change) linmin: converged after 4 iterations. iteration 623: trace = 2.429159886219932 (1.51272e-08% change) linmin: converged after 4 iterations. iteration 624: trace = 2.429159885948714 (1.11651e-08% change) linmin: converged after 5 iterations. iteration 625: trace = 2.429159885480614 (1.927e-08% change) linmin: converged after 3 iterations. iteration 626: trace = 2.429159885063529 (1.71699e-08% change) linmin: converged after 4 iterations. iteration 627: trace = 2.429159884801017 (1.08067e-08% change) linmin: converged after 24 iterations. iteration 628: trace = 2.429159884308785 (2.02635e-08% change) linmin: converged after 4 iterations. iteration 629: trace = 2.42915988409879 (8.64476e-09% change) resetting CG direction... linmin: converged after 29 iterations. iteration 630: trace = 2.429159883923386 (7.22077e-09% change) large trace change predicted (1.59748e-08%) linmin: converged after 10 iterations. iteration 631: trace = 2.429159883535328 (1.5975e-08% change) linmin: converged after 4 iterations. iteration 632: trace = 2.429159883309192 (9.30923e-09% change) linmin: converged after 14 iterations. iteration 633: trace = 2.429159882988082 (1.3219e-08% change) linmin: converged after 4 iterations. iteration 634: trace = 2.429159882496865 (2.02217e-08% change) linmin: converged after 2 iterations. iteration 635: trace = 2.429159882247063 (1.02835e-08% change) linmin: converged after 25 iterations. iteration 636: trace = 2.429159881992391 (1.0484e-08% change) large trace change predicted (2.88008e-08%) linmin: converged after 6 iterations. iteration 637: trace = 2.429159881292772 (2.88008e-08% change) linmin: converged after 10 iterations. iteration 638: trace = 2.429159880957295 (1.38104e-08% change) linmin: converged after 5 iterations. iteration 639: trace = 2.429159880728038 (9.43771e-09% change) linmin: converged after 11 iterations. iteration 640: trace = 2.429159880344708 (1.57804e-08% change) linmin: converged after 13 iterations. iteration 641: trace = 2.429159879948127 (1.63258e-08% change) linmin: converged after 7 iterations. iteration 642: trace = 2.429159879561123 (1.59316e-08% change) large trace change predicted (3.48015e-08%) linmin: converged after 4 iterations. iteration 643: trace = 2.429159878715728 (3.48019e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.429159878436534 (1.14935e-08% change) large trace change predicted (3.45312e-08%) linmin: converged after 7 iterations. iteration 645: trace = 2.429159877597703 (3.45317e-08% change) linmin: converged after 6 iterations. iteration 646: trace = 2.429159876729011 (3.5761e-08% change) linmin: converged after 8 iterations. iteration 647: trace = 2.429159876464457 (1.08907e-08% change) large trace change predicted (2.41291e-08%) linmin: converged after 2 iterations. iteration 648: trace = 2.429159875878322 (2.41291e-08% change) linmin: converged after 4 iterations. iteration 649: trace = 2.429159875298402 (2.38733e-08% change) linmin: converged after 3 iterations. iteration 650: trace = 2.429159875204298 (3.87391e-09% change) large trace change predicted (1.46253e-08%) linmin: converged after 4 iterations. iteration 651: trace = 2.429159874849023 (1.46254e-08% change) linmin: converged after 11 iterations. iteration 652: trace = 2.429159874748661 (4.13155e-09% change) linmin: converged after 27 iterations. iteration 653: trace = 2.429159874562753 (7.65319e-09% change) linmin: converged after 4 iterations. iteration 654: trace = 2.429159874428725 (5.51746e-09% change) linmin: converged after 4 iterations. iteration 655: trace = 2.429159874216798 (8.72429e-09% change) linmin: converged after 2 iterations. iteration 656: trace = 2.429159874102526 (4.70418e-09% change) large trace change predicted (1.32912e-08%) linmin: converged after 9 iterations. iteration 657: trace = 2.429159873779663 (1.32911e-08% change) linmin: converged after 24 iterations. iteration 658: trace = 2.429159873549111 (9.49102e-09% change) linmin: converged after 6 iterations. iteration 659: trace = 2.429159873373596 (7.22536e-09% change) large trace change predicted (2.2156e-08%) linmin: converged after 19 iterations. iteration 660: trace = 2.429159872835396 (2.21558e-08% change) linmin: converged after 3 iterations. iteration 661: trace = 2.429159872705757 (5.33676e-09% change) large trace change predicted (1.60297e-08%) linmin: converged after 31 iterations. iteration 662: trace = 2.429159872316372 (1.60296e-08% change) linmin: converged after 10 iterations. iteration 663: trace = 2.429159871935425 (1.56823e-08% change) linmin: converged after 7 iterations. iteration 664: trace = 2.429159871486376 (1.84858e-08% change) linmin: converged after 6 iterations. iteration 665: trace = 2.429159871357078 (5.32276e-09% change) large trace change predicted (3.18053e-08%) linmin: converged after 5 iterations. iteration 666: trace = 2.429159870584503 (3.18042e-08% change) linmin: converged after 6 iterations. iteration 667: trace = 2.429159870173317 (1.69271e-08% change) linmin: converged after 4 iterations. iteration 668: trace = 2.429159869950629 (9.16731e-09% change) linmin: converged after 4 iterations. iteration 669: trace = 2.429159869614651 (1.3831e-08% change) linmin: converged after 8 iterations. iteration 670: trace = 2.429159869436647 (7.32781e-09% change) linmin: converged after 14 iterations. iteration 671: trace = 2.429159869217567 (9.01873e-09% change) linmin: converged after 15 iterations. iteration 672: trace = 2.429159869002919 (8.8363e-09% change) linmin: converged after 16 iterations. iteration 673: trace = 2.42915986891721 (3.52835e-09% change) large trace change predicted (7.80294e-09%) linmin: converged after 4 iterations. iteration 674: trace = 2.429159868727664 (7.80293e-09% change) linmin: converged after 24 iterations. iteration 675: trace = 2.429159868574475 (6.30627e-09% change) linmin: converged after 21 iterations. iteration 676: trace = 2.429159868526776 (1.96361e-09% change) linmin: converged after 9 iterations. iteration 677: trace = 2.429159868433023 (3.85948e-09% change) large trace change predicted (9.62991e-09%) linmin: converged after 18 iterations. iteration 678: trace = 2.429159868199096 (9.62996e-09% change) linmin: converged after 4 iterations. iteration 679: trace = 2.429159868151658 (1.95284e-09% change) large trace change predicted (1.36815e-08%) linmin: converged after 4 iterations. iteration 680: trace = 2.429159867819307 (1.36817e-08% change) linmin: converged after 6 iterations. iteration 681: trace = 2.429159867476866 (1.40971e-08% change) linmin: converged after 23 iterations. iteration 682: trace = 2.429159867353786 (5.06676e-09% change) large trace change predicted (1.91499e-08%) linmin: converged after 9 iterations. iteration 683: trace = 2.429159866888595 (1.91503e-08% change) linmin: converged after 7 iterations. iteration 684: trace = 2.429159866552485 (1.38365e-08% change) linmin: converged after 18 iterations. iteration 685: trace = 2.429159866404837 (6.07814e-09% change) large trace change predicted (1.86731e-08%) linmin: converged after 4 iterations. iteration 686: trace = 2.429159865951227 (1.86736e-08% change) linmin: converged after 23 iterations. iteration 687: trace = 2.429159865647892 (1.24872e-08% change) linmin: converged after 8 iterations. iteration 688: trace = 2.429159865493814 (6.34284e-09% change) large trace change predicted (1.51764e-08%) linmin: converged after 4 iterations. iteration 689: trace = 2.42915986512515 (1.51766e-08% change) linmin: converged after 31 iterations. iteration 690: trace = 2.429159864961798 (6.72467e-09% change) linmin: converged after 13 iterations. iteration 691: trace = 2.429159864877884 (3.45444e-09% change) large trace change predicted (1.31379e-08%) linmin: converged after 10 iterations. iteration 692: trace = 2.429159864558741 (1.3138e-08% change) linmin: converged after 8 iterations. iteration 693: trace = 2.429159864388079 (7.02554e-09% change) linmin: converged after 15 iterations. iteration 694: trace = 2.429159864329951 (2.39295e-09% change) large trace change predicted (7.26982e-09%) linmin: converged after 28 iterations. iteration 695: trace = 2.429159864153355 (7.26982e-09% change) linmin: converged after 14 iterations. iteration 696: trace = 2.429159864047011 (4.37782e-09% change) linmin: converged after 4 iterations. iteration 697: trace = 2.42915986398621 (2.50293e-09% change) linmin: converged after 7 iterations. iteration 698: trace = 2.429159863893809 (3.80383e-09% change) large trace change predicted (1.34954e-08%) linmin: converged after 20 iterations. iteration 699: trace = 2.429159863565991 (1.34951e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 700: trace = 2.429159863368707 (8.12149e-09% change) linmin: converged after 12 iterations. iteration 701: trace = 2.429159863198481 (7.00765e-09% change) linmin: converged after 21 iterations. iteration 702: trace = 2.429159863161707 (1.51383e-09% change) large trace change predicted (3.28016e-09%) linmin: converged after 4 iterations. iteration 703: trace = 2.429159863082028 (3.2801e-09% change) large trace change predicted (6.83995e-09%) linmin: converged after 4 iterations. iteration 704: trace = 2.429159862915878 (6.83984e-09% change) linmin: converged after 18 iterations. iteration 705: trace = 2.429159862882806 (1.36145e-09% change) large trace change predicted (7.31193e-09%) linmin: converged after 20 iterations. iteration 706: trace = 2.429159862705189 (7.31187e-09% change) linmin: converged after 3 iterations. iteration 707: trace = 2.429159862567829 (5.65464e-09% change) linmin: converged after 33 iterations. iteration 708: trace = 2.42915986249851 (2.85359e-09% change) large trace change predicted (8.25612e-09%) linmin: converged after 6 iterations. iteration 709: trace = 2.429159862297957 (8.25608e-09% change) linmin: converged after 2 iterations. iteration 710: trace = 2.429159862167181 (5.38356e-09% change) linmin: converged after 28 iterations. iteration 711: trace = 2.429159862072796 (3.88552e-09% change) large trace change predicted (1.01987e-08%) linmin: converged after 4 iterations. iteration 712: trace = 2.429159861825058 (1.01985e-08% change) linmin: converged after 6 iterations. iteration 713: trace = 2.429159861654926 (7.00372e-09% change) linmin: converged after 4 iterations. iteration 714: trace = 2.429159861493386 (6.65006e-09% change) linmin: converged after 7 iterations. iteration 715: trace = 2.42915986120419 (1.19052e-08% change) linmin: converged after 6 iterations. iteration 716: trace = 2.42915986112252 (3.36206e-09% change) large trace change predicted (7.07413e-09%) linmin: converged after 7 iterations. iteration 717: trace = 2.42915986095068 (7.07405e-09% change) linmin: converged after 12 iterations. iteration 718: trace = 2.429159860700708 (1.02905e-08% change) linmin: converged after 18 iterations. iteration 719: trace = 2.429159860617927 (3.4078e-09% change) linmin: converged after 23 iterations. iteration 720: trace = 2.429159860521937 (3.95157e-09% change) linmin: converged after 16 iterations. iteration 721: trace = 2.429159860440143 (3.36716e-09% change) linmin: converged after 4 iterations. iteration 722: trace = 2.429159860417119 (9.47828e-10% change) large trace change predicted (3.15202e-09%) linmin: converged after 4 iterations. iteration 723: trace = 2.429159860340548 (3.15215e-09% change) linmin: converged after 15 iterations. iteration 724: trace = 2.429159860295953 (1.83584e-09% change) linmin: converged after 9 iterations. iteration 725: trace = 2.429159860239705 (2.31553e-09% change) linmin: converged after 6 iterations. iteration 726: trace = 2.429159860196932 (1.76081e-09% change) large trace change predicted (5.06939e-09%) linmin: converged after 6 iterations. iteration 727: trace = 2.429159860073788 (5.06943e-09% change) linmin: converged after 22 iterations. iteration 728: trace = 2.42915986005199 (8.97334e-10% change) large trace change predicted (5.36955e-09%) linmin: converged after 4 iterations. iteration 729: trace = 2.429159859921552 (5.36969e-09% change) linmin: converged after 4 iterations. iteration 730: trace = 2.429159859801484 (4.94278e-09% change) linmin: converged after 4 iterations. iteration 731: trace = 2.429159859628455 (7.12299e-09% change) linmin: converged after 11 iterations. iteration 732: trace = 2.429159859563245 (2.68447e-09% change) large trace change predicted (7.67191e-09%) linmin: converged after 4 iterations. iteration 733: trace = 2.429159859376881 (7.67195e-09% change) linmin: converged after 4 iterations. iteration 734: trace = 2.429159859252292 (5.1289e-09% change) linmin: converged after 5 iterations. iteration 735: trace = 2.429159859139257 (4.65325e-09% change) linmin: converged after 7 iterations. iteration 736: trace = 2.42915985900953 (5.34042e-09% change) linmin: converged after 18 iterations. iteration 737: trace = 2.429159858931232 (3.22323e-09% change) linmin: converged after 4 iterations. iteration 738: trace = 2.429159858883374 (1.97017e-09% change) large trace change predicted (5.35956e-09%) linmin: converged after 9 iterations. iteration 739: trace = 2.42915985875318 (5.35963e-09% change) linmin: converged after 4 iterations. iteration 740: trace = 2.429159858672493 (3.32158e-09% change) linmin: converged after 16 iterations. iteration 741: trace = 2.429159858617272 (2.27326e-09% change) linmin: converged after 20 iterations. iteration 742: trace = 2.429159858552005 (2.68681e-09% change) linmin: converged after 9 iterations. iteration 743: trace = 2.429159858526139 (1.06479e-09% change) linmin: converged after 7 iterations. iteration 744: trace = 2.429159858485464 (1.67447e-09% change) linmin: converged after 17 iterations. iteration 745: trace = 2.429159858428432 (2.34781e-09% change) linmin: converged after 4 iterations. iteration 746: trace = 2.429159858394494 (1.3971e-09% change) linmin: converged after 2 iterations. iteration 747: trace = 2.429159858376924 (7.23293e-10% change) large trace change predicted (2.67914e-09%) linmin: converged after 11 iterations. iteration 748: trace = 2.429159858311844 (2.67913e-09% change) linmin: converged after 6 iterations. iteration 749: trace = 2.429159858297105 (6.06748e-10% change) large trace change predicted (4.60515e-09%) linmin: converged after 8 iterations. iteration 750: trace = 2.429159858185237 (4.60519e-09% change) linmin: converged after 25 iterations. iteration 751: trace = 2.429159858070221 (4.73484e-09% change) linmin: converged after 13 iterations. iteration 752: trace = 2.429159857999704 (2.90293e-09% change) linmin: converged after 14 iterations. iteration 753: trace = 2.429159857874695 (5.14616e-09% change) linmin: converged after 4 iterations. iteration 754: trace = 2.429159857737366 (5.65336e-09% change) linmin: converged after 4 iterations. iteration 755: trace = 2.429159857643179 (3.87734e-09% change) linmin: converged after 15 iterations. iteration 756: trace = 2.42915985751941 (5.09514e-09% change) linmin: converged after 4 iterations. iteration 757: trace = 2.429159857414316 (4.32634e-09% change) linmin: converged after 4 iterations. iteration 758: trace = 2.429159857390589 (9.76786e-10% change) large trace change predicted (2.9025e-09%) linmin: converged after 8 iterations. iteration 759: trace = 2.429159857320083 (2.90248e-09% change) linmin: converged after 17 iterations. iteration 760: trace = 2.429159857269182 (2.09542e-09% change) linmin: converged after 3 iterations. iteration 761: trace = 2.429159857240542 (1.179e-09% change) linmin: converged after 21 iterations. iteration 762: trace = 2.429159857183744 (2.33818e-09% change) linmin: converged after 4 iterations. iteration 763: trace = 2.429159857119314 (2.65237e-09% change) linmin: converged after 4 iterations. iteration 764: trace = 2.42915985710589 (5.52598e-10% change) large trace change predicted (3.08551e-09%) linmin: converged after 14 iterations. iteration 765: trace = 2.429159857030935 (3.08562e-09% change) linmin: converged after 3 iterations. iteration 766: trace = 2.429159856986197 (1.84172e-09% change) linmin: converged after 4 iterations. iteration 767: trace = 2.429159856963364 (9.39967e-10% change) linmin: converged after 3 iterations. iteration 768: trace = 2.429159856926341 (1.52408e-09% change) large trace change predicted (3.62215e-09%) linmin: converged after 3 iterations. iteration 769: trace = 2.429159856838353 (3.62219e-09% change) resetting CG direction... linmin: converged after 8 iterations. iteration 770: trace = 2.429159856799472 (1.60059e-09% change) linmin: converged after 4 iterations. iteration 771: trace = 2.429159856746584 (2.17719e-09% change) linmin: converged after 15 iterations. iteration 772: trace = 2.429159856716447 (1.24064e-09% change) linmin: converged after 4 iterations. iteration 773: trace = 2.429159856692969 (9.66493e-10% change) linmin: converged after 22 iterations. iteration 774: trace = 2.429159856646284 (1.92189e-09% change) linmin: converged after 4 iterations. iteration 775: trace = 2.429159856610489 (1.47355e-09% change) linmin: converged after 2 iterations. iteration 776: trace = 2.429159856584426 (1.07289e-09% change) large trace change predicted (2.55169e-09%) linmin: converged after 17 iterations. iteration 777: trace = 2.42915985652244 (2.55176e-09% change) linmin: converged after 14 iterations. iteration 778: trace = 2.429159856504473 (7.39637e-10% change) large trace change predicted (1.88245e-09%) linmin: converged after 6 iterations. iteration 779: trace = 2.429159856458738 (1.88273e-09% change) linmin: converged after 6 iterations. iteration 780: trace = 2.429159856419581 (1.61198e-09% change) linmin: converged after 18 iterations. iteration 781: trace = 2.429159856393265 (1.08333e-09% change) linmin: converged after 7 iterations. iteration 782: trace = 2.429159856353518 (1.63624e-09% change) linmin: converged after 9 iterations. iteration 783: trace = 2.429159856283865 (2.86738e-09% change) linmin: converged after 4 iterations. iteration 784: trace = 2.429159856262734 (8.69875e-10% change) large trace change predicted (3.35012e-09%) linmin: converged after 21 iterations. iteration 785: trace = 2.429159856181355 (3.3501e-09% change) linmin: converged after 8 iterations. iteration 786: trace = 2.429159856082024 (4.08912e-09% change) linmin: converged after 8 iterations. iteration 787: trace = 2.429159856052705 (1.20693e-09% change) large trace change predicted (3.68821e-09%) linmin: converged after 9 iterations. iteration 788: trace = 2.429159855963104 (3.68857e-09% change) linmin: converged after 21 iterations. iteration 789: trace = 2.429159855906845 (2.316e-09% change) linmin: converged after 4 iterations. iteration 790: trace = 2.429159855878486 (1.16744e-09% change) linmin: converged after 6 iterations. iteration 791: trace = 2.429159855854222 (9.9887e-10% change) linmin: converged after 4 iterations. iteration 792: trace = 2.429159855829516 (1.01704e-09% change) linmin: converged after 15 iterations. iteration 793: trace = 2.429159855821952 (3.11372e-10% change) linmin: converged after 15 iterations. iteration 794: trace = 2.429159855807795 (5.82817e-10% change) linmin: converged after 5 iterations. iteration 795: trace = 2.42915985578569 (9.09966e-10% change) linmin: converged after 25 iterations. iteration 796: trace = 2.42915985577738 (3.42104e-10% change) large trace change predicted (1.07094e-09%) linmin: converged after 16 iterations. iteration 797: trace = 2.429159855751367 (1.07084e-09% change) linmin: converged after 4 iterations. iteration 798: trace = 2.42915985573058 (8.55743e-10% change) linmin: converged after 16 iterations. iteration 799: trace = 2.429159855714111 (6.77991e-10% change) large trace change predicted (2.15748e-09%) linmin: converged after 16 iterations. iteration 800: trace = 2.429159855661696 (2.15772e-09% change) linmin: converged after 19 iterations. iteration 801: trace = 2.429159855624209 (1.5432e-09% change) linmin: converged after 6 iterations. iteration 802: trace = 2.429159855605723 (7.61026e-10% change) large trace change predicted (1.77823e-09%) linmin: converged after 4 iterations. iteration 803: trace = 2.429159855562526 (1.77823e-09% change) linmin: converged after 24 iterations. iteration 804: trace = 2.429159855534095 (1.17042e-09% change) linmin: converged after 6 iterations. iteration 805: trace = 2.429159855512275 (8.98266e-10% change) large trace change predicted (3.05571e-09%) linmin: converged after 22 iterations. iteration 806: trace = 2.429159855438048 (3.05564e-09% change) linmin: converged after 17 iterations. iteration 807: trace = 2.42915985540259 (1.45969e-09% change) linmin: converged after 3 iterations. iteration 808: trace = 2.429159855367566 (1.44181e-09% change) linmin: converged after 4 iterations. iteration 809: trace = 2.429159855322313 (1.86291e-09% change) linmin: converged after 6 iterations. iteration 810: trace = 2.429159855291077 (1.28587e-09% change) linmin: converged after 13 iterations. iteration 811: trace = 2.429159855278996 (4.97333e-10% change) linmin: converged after 3 iterations. iteration 812: trace = 2.429159855256762 (9.15305e-10% change) linmin: converged after 18 iterations. iteration 813: trace = 2.42915985523806 (7.69875e-10% change) linmin: converged after 9 iterations. iteration 814: trace = 2.429159855224551 (5.56108e-10% change) linmin: converged after 13 iterations. iteration 815: trace = 2.429159855203754 (8.56164e-10% change) linmin: converged after 4 iterations. iteration 816: trace = 2.429159855200197 (1.46417e-10% change) large trace change predicted (5.14569e-10%) linmin: converged after 4 iterations. iteration 817: trace = 2.429159855187692 (5.14791e-10% change) linmin: converged after 4 iterations. iteration 818: trace = 2.429159855171314 (6.74225e-10% change) linmin: converged after 15 iterations. iteration 819: trace = 2.429159855164816 (2.67496e-10% change) large trace change predicted (7.95636e-10%) linmin: converged after 12 iterations. iteration 820: trace = 2.429159855145489 (7.95633e-10% change) linmin: converged after 4 iterations. iteration 821: trace = 2.429159855112638 (1.35234e-09% change) linmin: converged after 6 iterations. iteration 822: trace = 2.429159855100644 (4.93749e-10% change) large trace change predicted (1.91275e-09%) linmin: converged after 5 iterations. iteration 823: trace = 2.42915985505418 (1.91279e-09% change) linmin: converged after 25 iterations. iteration 824: trace = 2.429159855017095 (1.52666e-09% change) linmin: converged after 6 iterations. iteration 825: trace = 2.429159854997339 (8.13293e-10% change) large trace change predicted (1.63686e-09%) linmin: converged after 4 iterations. iteration 826: trace = 2.429159854957575 (1.63692e-09% change) linmin: converged after 4 iterations. iteration 827: trace = 2.42915985491432 (1.78068e-09% change) linmin: converged after 4 iterations. iteration 828: trace = 2.429159854907358 (2.86601e-10% change) large trace change predicted (1.79346e-09%) linmin: converged after 4 iterations. iteration 829: trace = 2.42915985486379 (1.79353e-09% change) linmin: converged after 18 iterations. iteration 830: trace = 2.429159854846151 (7.26108e-10% change) linmin: converged after 3 iterations. iteration 831: trace = 2.429159854836618 (3.92469e-10% change) large trace change predicted (1.09824e-09%) linmin: converged after 5 iterations. iteration 832: trace = 2.429159854809941 (1.09819e-09% change) linmin: converged after 4 iterations. iteration 833: trace = 2.429159854791 (7.79747e-10% change) linmin: converged after 15 iterations. iteration 834: trace = 2.429159854773403 (7.24408e-10% change) linmin: converged after 5 iterations. iteration 835: trace = 2.429159854767259 (2.52926e-10% change) large trace change predicted (8.75339e-10%) linmin: converged after 5 iterations. iteration 836: trace = 2.429159854745992 (8.75451e-10% change) linmin: converged after 12 iterations. iteration 837: trace = 2.429159854741384 (1.89726e-10% change) linmin: converged after 12 iterations. iteration 838: trace = 2.429159854734171 (2.96911e-10% change) large trace change predicted (8.58242e-10%) linmin: converged after 5 iterations. iteration 839: trace = 2.42915985471332 (8.58358e-10% change) resetting CG direction... linmin: converged after 10 iterations. iteration 840: trace = 2.429159854701076 (5.0406e-10% change) linmin: converged after 3 iterations. iteration 841: trace = 2.429159854691718 (3.8523e-10% change) linmin: converged after 14 iterations. iteration 842: trace = 2.429159854683122 (3.53859e-10% change) linmin: converged after 4 iterations. iteration 843: trace = 2.429159854676287 (2.8139e-10% change) large trace change predicted (6.23336e-10%) linmin: converged after 4 iterations. iteration 844: trace = 2.429159854661141 (6.23512e-10% change) linmin: converged after 17 iterations. iteration 845: trace = 2.429159854645709 (6.35285e-10% change) linmin: converged after 12 iterations. iteration 846: trace = 2.429159854639871 (2.40312e-10% change) large trace change predicted (7.04149e-10%) linmin: converged after 8 iterations. iteration 847: trace = 2.429159854622764 (7.04225e-10% change) linmin: converged after 17 iterations. iteration 848: trace = 2.429159854607093 (6.45121e-10% change) linmin: converged after 4 iterations. iteration 849: trace = 2.429159854597993 (3.74626e-10% change) linmin: converged after 13 iterations. iteration 850: trace = 2.42915985458078 (7.08595e-10% change) linmin: converged after 17 iterations. iteration 851: trace = 2.429159854558398 (9.21411e-10% change) linmin: converged after 4 iterations. iteration 852: trace = 2.429159854548534 (4.06034e-10% change) large trace change predicted (1.13783e-09%) linmin: converged after 5 iterations. iteration 853: trace = 2.429159854520895 (1.13781e-09% change) linmin: converged after 7 iterations. iteration 854: trace = 2.429159854512265 (3.55285e-10% change) large trace change predicted (1.17134e-09%) linmin: converged after 5 iterations. iteration 855: trace = 2.429159854483814 (1.17123e-09% change) linmin: converged after 3 iterations. iteration 856: trace = 2.429159854463911 (8.19308e-10% change) linmin: converged after 4 iterations. iteration 857: trace = 2.429159854456307 (3.13054e-10% change) large trace change predicted (1.03806e-09%) linmin: converged after 6 iterations. iteration 858: trace = 2.429159854431086 (1.03825e-09% change) linmin: converged after 3 iterations. iteration 859: trace = 2.429159854414688 (6.75066e-10% change) linmin: converged after 5 iterations. iteration 860: trace = 2.42915985440996 (1.94626e-10% change) linmin: converged after 4 iterations. iteration 861: trace = 2.429159854403379 (2.70897e-10% change) linmin: converged after 3 iterations. iteration 862: trace = 2.42915985439579 (3.12432e-10% change) linmin: converged after 3 iterations. iteration 863: trace = 2.429159854393068 (1.12066e-10% change) linmin: converged after 19 iterations. iteration 864: trace = 2.429159854388425 (1.91134e-10% change) linmin: converged after 19 iterations. iteration 865: trace = 2.429159854379216 (3.79105e-10% change) linmin: converged after 6 iterations. iteration 866: trace = 2.429159854377398 (7.48266e-11% change) Finished solving for bands 1 to 10 after 866 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 elapsed time for k point: 16.914480209350586 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.433380540443908 (3.19205% change) linmin: converged after 4 iterations. iteration 2: trace = 2.422814270845926 (0.435167% change) linmin: converged after 4 iterations. iteration 3: trace = 2.410436633345728 (0.512187% change) linmin: converged after 3 iterations. iteration 4: trace = 2.404737571830875 (0.236713% change) linmin: converged after 4 iterations. iteration 5: trace = 2.402921500695339 (0.0755491% change) linmin: converged after 4 iterations. iteration 6: trace = 2.401560398915169 (0.0566597% change) linmin: converged after 4 iterations. iteration 7: trace = 2.401273649453677 (0.0119408% change) large trace change predicted (0.0255602%) linmin: converged after 4 iterations. iteration 8: trace = 2.400660459304371 (0.0255393% change) linmin: converged after 3 iterations. iteration 9: trace = 2.400394246180625 (0.0110898% change) linmin: converged after 4 iterations. iteration 10: trace = 2.400303559085161 (0.00377808% change) linmin: converged after 4 iterations. iteration 11: trace = 2.400130188695215 (0.00722311% change) linmin: converged after 3 iterations. iteration 12: trace = 2.400008428418248 (0.0050732% change) linmin: converged after 4 iterations. iteration 13: trace = 2.399912618969685 (0.00399213% change) large trace change predicted (0.0102643%) linmin: converged after 4 iterations. iteration 14: trace = 2.399666162208103 (0.0102699% change) linmin: converged after 4 iterations. iteration 15: trace = 2.399556898464543 (0.00455339% change) linmin: converged after 4 iterations. iteration 16: trace = 2.399371920601187 (0.00770913% change) linmin: converged after 3 iterations. iteration 17: trace = 2.399289107657486 (0.0034515% change) large trace change predicted (0.00782311%) linmin: converged after 4 iterations. iteration 18: trace = 2.399101380466638 (0.00782459% change) linmin: converged after 4 iterations. iteration 19: trace = 2.398879607343093 (0.00924444% change) linmin: converged after 6 iterations. iteration 20: trace = 2.398649900044041 (0.00957607% change) large trace change predicted (0.0239448%) linmin: converged after 4 iterations. iteration 21: trace = 2.398075312221482 (0.0239575% change) linmin: converged after 3 iterations. iteration 22: trace = 2.397887143624137 (0.00784696% change) linmin: converged after 4 iterations. iteration 23: trace = 2.397522325941974 (0.0152153% change) linmin: converged after 5 iterations. iteration 24: trace = 2.397281858636066 (0.0100303% change) linmin: converged after 4 iterations. iteration 25: trace = 2.396981285049889 (0.0125389% change) linmin: converged after 4 iterations. iteration 26: trace = 2.396715640950408 (0.0110831% change) linmin: converged after 4 iterations. iteration 27: trace = 2.396618634307997 (0.00404756% change) large trace change predicted (0.00900769%) linmin: converged after 4 iterations. iteration 28: trace = 2.39640287096897 (0.00900323% change) linmin: converged after 5 iterations. iteration 29: trace = 2.396349203684576 (0.00223952% change) linmin: converged after 4 iterations. iteration 30: trace = 2.396256460549653 (0.00387026% change) linmin: converged after 3 iterations. iteration 31: trace = 2.396207672473087 (0.00203603% change) linmin: converged after 4 iterations. iteration 32: trace = 2.396167671844039 (0.00166934% change) large trace change predicted (0.00396794%) linmin: converged after 4 iterations. iteration 33: trace = 2.396072600306302 (0.00396773% change) linmin: converged after 10 iterations. iteration 34: trace = 2.396038797047905 (0.00141079% change) large trace change predicted (0.00652598%) linmin: converged after 3 iterations. iteration 35: trace = 2.395882486755531 (0.00652391% change) linmin: converged after 4 iterations. iteration 36: trace = 2.39583268550148 (0.00207864% change) large trace change predicted (0.00897502%) linmin: converged after 19 iterations. iteration 37: trace = 2.395617670293436 (0.00897495% change) linmin: converged after 4 iterations. iteration 38: trace = 2.395533925149891 (0.00349583% change) large trace change predicted (0.00705092%) linmin: converged after 4 iterations. iteration 39: trace = 2.395364976008042 (0.00705292% change) linmin: converged after 4 iterations. iteration 40: trace = 2.395255848588221 (0.00455588% change) linmin: converged after 3 iterations. iteration 41: trace = 2.395086682673956 (0.00706279% change) linmin: converged after 3 iterations. iteration 42: trace = 2.395028276850285 (0.0024386% change) large trace change predicted (0.00633155%) linmin: converged after 4 iterations. iteration 43: trace = 2.394876576935001 (0.00633415% change) linmin: converged after 5 iterations. iteration 44: trace = 2.394823829384971 (0.00220254% change) large trace change predicted (0.00784733%) linmin: converged after 4 iterations. iteration 45: trace = 2.394635887865348 (0.00784813% change) linmin: converged after 4 iterations. iteration 46: trace = 2.394551761799004 (0.00351317% change) large trace change predicted (0.0073079%) linmin: converged after 4 iterations. iteration 47: trace = 2.39437664010452 (0.00731361% change) linmin: converged after 3 iterations. iteration 48: trace = 2.394320470662205 (0.00234592% change) large trace change predicted (0.0069281%) linmin: converged after 4 iterations. iteration 49: trace = 2.394154559956638 (0.00692958% change) linmin: converged after 4 iterations. iteration 50: trace = 2.394120839362857 (0.00140847% change) linmin: converged after 4 iterations. iteration 51: trace = 2.394082460171509 (0.00160307% change) linmin: converged after 5 iterations. iteration 52: trace = 2.394061914459259 (0.000858191% change) linmin: converged after 3 iterations. iteration 53: trace = 2.394035856508216 (0.00108845% change) linmin: converged after 4 iterations. iteration 54: trace = 2.394025508527441 (0.000432241% change) large trace change predicted (0.00106382%) linmin: converged after 4 iterations. iteration 55: trace = 2.394000031388523 (0.0010642% change) linmin: converged after 15 iterations. iteration 56: trace = 2.393990078074366 (0.000415762% change) large trace change predicted (0.00147078%) linmin: converged after 7 iterations. iteration 57: trace = 2.393954870434198 (0.00147068% change) linmin: converged after 4 iterations. iteration 58: trace = 2.393941142087391 (0.000573461% change) large trace change predicted (0.00230683%) linmin: converged after 4 iterations. iteration 59: trace = 2.393885915757343 (0.00230695% change) linmin: converged after 5 iterations. iteration 60: trace = 2.393856958966908 (0.00120962% change) large trace change predicted (0.00352012%) linmin: converged after 4 iterations. iteration 61: trace = 2.393772751502206 (0.00351771% change) linmin: converged after 5 iterations. iteration 62: trace = 2.393670096484641 (0.00428851% change) linmin: converged after 4 iterations. iteration 63: trace = 2.393605449449459 (0.00270079% change) linmin: converged after 2 iterations. iteration 64: trace = 2.39348721716155 (0.00493963% change) linmin: converged after 12 iterations. iteration 65: trace = 2.393448255782342 (0.00162782% change) linmin: converged after 3 iterations. iteration 66: trace = 2.393405376638453 (0.00179154% change) linmin: converged after 4 iterations. iteration 67: trace = 2.393387851887911 (0.000732213% change) linmin: converged after 4 iterations. iteration 68: trace = 2.393359848955133 (0.00117002% change) linmin: converged after 4 iterations. iteration 69: trace = 2.39334836002617 (0.000480035% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.393343745289685 (0.000192815% change) linmin: converged after 5 iterations. iteration 71: trace = 2.393336290163514 (0.000311495% change) linmin: converged after 5 iterations. iteration 72: trace = 2.393333528458225 (0.000115392% change) linmin: converged after 5 iterations. iteration 73: trace = 2.393329051569193 (0.000187057% change) large trace change predicted (0.000413346%) linmin: converged after 4 iterations. iteration 74: trace = 2.393319158534369 (0.00041336% change) linmin: converged after 4 iterations. iteration 75: trace = 2.393315853870198 (0.000138079% change) large trace change predicted (0.000436214%) linmin: converged after 2 iterations. iteration 76: trace = 2.39330541376668 (0.00043622% change) linmin: converged after 4 iterations. iteration 77: trace = 2.393296326460743 (0.000379698% change) linmin: converged after 4 iterations. iteration 78: trace = 2.393291292967413 (0.000210317% change) large trace change predicted (0.000432557%) linmin: converged after 4 iterations. iteration 79: trace = 2.393280939562352 (0.000432602% change) linmin: converged after 4 iterations. iteration 80: trace = 2.39327663525763 (0.00017985% change) large trace change predicted (0.000406519%) linmin: converged after 4 iterations. iteration 81: trace = 2.393266901750644 (0.000406703% change) linmin: converged after 4 iterations. iteration 82: trace = 2.393256954513477 (0.000415635% change) large trace change predicted (0.000838335%) linmin: converged after 3 iterations. iteration 83: trace = 2.393236893839753 (0.00083822% change) linmin: converged after 3 iterations. iteration 84: trace = 2.393229151551698 (0.000323507% change) large trace change predicted (0.000990682%) linmin: converged after 4 iterations. iteration 85: trace = 2.393205436576264 (0.000990924% change) linmin: converged after 4 iterations. iteration 86: trace = 2.393198578307199 (0.000286573% change) large trace change predicted (0.000615433%) linmin: converged after 3 iterations. iteration 87: trace = 2.393183852797637 (0.000615309% change) linmin: converged after 4 iterations. iteration 88: trace = 2.393179757428099 (0.000171127% change) linmin: converged after 4 iterations. iteration 89: trace = 2.393172467192238 (0.000304626% change) linmin: converged after 4 iterations. iteration 90: trace = 2.393169671714642 (0.000116811% change) linmin: converged after 3 iterations. iteration 91: trace = 2.393166883827487 (0.000116494% change) linmin: converged after 4 iterations. iteration 92: trace = 2.393163551325879 (0.000139251% change) linmin: converged after 4 iterations. iteration 93: trace = 2.393162792558882 (3.17056e-05% change) large trace change predicted (8.2246e-05%) linmin: converged after 2 iterations. iteration 94: trace = 2.39316082390683 (8.22616e-05% change) linmin: converged after 5 iterations. iteration 95: trace = 2.393159318219231 (6.29163e-05% change) linmin: converged after 4 iterations. iteration 96: trace = 2.393158376036829 (3.93698e-05% change) large trace change predicted (9.19929e-05%) linmin: converged after 3 iterations. iteration 97: trace = 2.393156174692149 (9.1985e-05% change) linmin: converged after 4 iterations. iteration 98: trace = 2.39315509903598 (4.49472e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 2.393153692442706 (5.87757e-05% change) large trace change predicted (0.00011818%) linmin: converged after 4 iterations. iteration 100: trace = 2.393150863866867 (0.000118195% change) linmin: converged after 8 iterations. iteration 101: trace = 2.393149740538012 (4.69393e-05% change) linmin: converged after 3 iterations. iteration 102: trace = 2.393148415427696 (5.5371e-05% change) large trace change predicted (0.000131314%) linmin: converged after 5 iterations. iteration 103: trace = 2.393145273280542 (0.000131298% change) linmin: converged after 2 iterations. iteration 104: trace = 2.393143669401702 (6.70197e-05% change) linmin: converged after 5 iterations. iteration 105: trace = 2.393142533348935 (4.74712e-05% change) large trace change predicted (0.000112145%) linmin: converged after 4 iterations. iteration 106: trace = 2.393139849250136 (0.000112158% change) linmin: converged after 4 iterations. iteration 107: trace = 2.393137817393968 (8.49034e-05% change) linmin: converged after 12 iterations. iteration 108: trace = 2.393136704130331 (4.6519e-05% change) large trace change predicted (0.000101756%) linmin: converged after 3 iterations. iteration 109: trace = 2.393134269347164 (0.00010174% change) linmin: converged after 3 iterations. iteration 110: trace = 2.393131325463725 (0.000123014% change) linmin: converged after 2 iterations. iteration 111: trace = 2.393130135487137 (4.97247e-05% change) linmin: converged after 5 iterations. iteration 112: trace = 2.393128824267314 (5.4791e-05% change) large trace change predicted (0.000127429%) linmin: converged after 2 iterations. iteration 113: trace = 2.393125774190403 (0.000127452% change) linmin: converged after 4 iterations. iteration 114: trace = 2.393123385982424 (9.97946e-05% change) linmin: converged after 4 iterations. iteration 115: trace = 2.393122031517405 (5.65982e-05% change) large trace change predicted (0.000116378%) linmin: converged after 5 iterations. iteration 116: trace = 2.393119246533655 (0.000116375% change) linmin: converged after 3 iterations. iteration 117: trace = 2.39311473425312 (0.000188552% change) linmin: converged after 5 iterations. iteration 118: trace = 2.393112592624688 (8.94913e-05% change) linmin: converged after 4 iterations. iteration 119: trace = 2.393111107995308 (6.20376e-05% change) large trace change predicted (0.000135552%) linmin: converged after 4 iterations. iteration 120: trace = 2.393107863849913 (0.000135562% change) linmin: converged after 4 iterations. iteration 121: trace = 2.39310461183116 (0.000135891% change) linmin: converged after 5 iterations. iteration 122: trace = 2.393103201879602 (5.89173e-05% change) linmin: converged after 4 iterations. iteration 123: trace = 2.393101406094368 (7.50401e-05% change) linmin: converged after 3 iterations. iteration 124: trace = 2.393098182873616 (0.000134688% change) linmin: converged after 5 iterations. iteration 125: trace = 2.393096476832181 (7.12901e-05% change) linmin: converged after 3 iterations. iteration 126: trace = 2.393095499942862 (4.08212e-05% change) large trace change predicted (8.82179e-05%) linmin: converged after 2 iterations. iteration 127: trace = 2.393093388798312 (8.82182e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 2.393091334430655 (8.58457e-05% change) linmin: converged after 5 iterations. iteration 129: trace = 2.393090633976008 (2.92699e-05% change) linmin: converged after 6 iterations. iteration 130: trace = 2.393089820989904 (3.39722e-05% change) linmin: converged after 4 iterations. iteration 131: trace = 2.393088521909926 (5.42846e-05% change) linmin: converged after 3 iterations. iteration 132: trace = 2.393088028506677 (2.06178e-05% change) linmin: converged after 4 iterations. iteration 133: trace = 2.393087763775035 (1.10623e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 2.393087259231091 (2.10834e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 2.393086937049219 (1.3463e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 2.393086725461289 (8.84163e-06% change) large trace change predicted (2.47207e-05%) linmin: converged after 9 iterations. iteration 137: trace = 2.393086133884916 (2.47202e-05% change) linmin: converged after 4 iterations. iteration 138: trace = 2.39308566554791 (1.95704e-05% change) linmin: converged after 3 iterations. iteration 139: trace = 2.393085449601296 (9.02377e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.39308502884997 (1.7582e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 2.393084536958866 (2.05547e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.393083820482782 (2.99394e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.393083526739307 (1.22747e-05% change) large trace change predicted (4.71917e-05%) linmin: converged after 2 iterations. iteration 144: trace = 2.393082397382467 (4.71925e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.39308066676745 (7.23174e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.393079816571708 (3.55273e-05% change) large trace change predicted (0.000101402%) linmin: converged after 2 iterations. iteration 147: trace = 2.393077389834342 (0.000101407% change) linmin: converged after 3 iterations. iteration 148: trace = 2.393076080789317 (5.47013e-05% change) linmin: converged after 2 iterations. iteration 149: trace = 2.393074908838823 (4.89726e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 2.393073055168203 (7.74598e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.393072214325346 (3.51365e-05% change) linmin: converged after 3 iterations. iteration 152: trace = 2.393070903220508 (5.47875e-05% change) linmin: converged after 4 iterations. iteration 153: trace = 2.393070066007435 (3.49849e-05% change) linmin: converged after 3 iterations. iteration 154: trace = 2.393069538738395 (2.20332e-05% change) linmin: converged after 4 iterations. iteration 155: trace = 2.393068663668274 (3.65669e-05% change) linmin: converged after 4 iterations. iteration 156: trace = 2.393068316374694 (1.45125e-05% change) linmin: converged after 2 iterations. iteration 157: trace = 2.393067753825754 (2.35074e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 2.39306703832884 (2.98987e-05% change) linmin: converged after 3 iterations. iteration 159: trace = 2.393066739158407 (1.25015e-05% change) large trace change predicted (3.14955e-05%) linmin: converged after 2 iterations. iteration 160: trace = 2.393065985438088 (3.1496e-05% change) linmin: converged after 2 iterations. iteration 161: trace = 2.393065805975977 (7.49925e-06% change) large trace change predicted (3.2449e-05%) linmin: converged after 3 iterations. iteration 162: trace = 2.393065029487567 (3.24474e-05% change) linmin: converged after 2 iterations. iteration 163: trace = 2.393064669039104 (1.50622e-05% change) linmin: converged after 2 iterations. iteration 164: trace = 2.393064330504958 (1.41465e-05% change) large trace change predicted (4.74953e-05%) linmin: converged after 4 iterations. iteration 165: trace = 2.393063193941383 (4.74941e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.393062780381473 (1.72816e-05% change) large trace change predicted (0.000101911%) linmin: converged after 5 iterations. iteration 167: trace = 2.39306034154255 (0.000101913% change) linmin: converged after 2 iterations. iteration 168: trace = 2.393059051116956 (5.39237e-05% change) linmin: converged after 3 iterations. iteration 169: trace = 2.393057311660742 (7.26876e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.393055656564893 (6.91624e-05% change) linmin: converged after 4 iterations. iteration 171: trace = 2.39305490407619 (3.14447e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.393053649332267 (5.24327e-05% change) linmin: converged after 12 iterations. iteration 173: trace = 2.393053130453571 (2.16827e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 2.393052444950696 (2.86455e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.39305210922459 (1.40292e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 2.393051628308182 (2.00964e-05% change) linmin: converged after 2 iterations. iteration 177: trace = 2.393051361702711 (1.11408e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.393051191533071 (7.11099e-06% change) large trace change predicted (1.64433e-05%) linmin: converged after 2 iterations. iteration 179: trace = 2.393050798027882 (1.64437e-05% change) linmin: converged after 6 iterations. iteration 180: trace = 2.393050730610346 (2.81722e-06% change) large trace change predicted (1.09261e-05%) linmin: converged after 2 iterations. iteration 181: trace = 2.393050469140827 (1.09262e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 2.393050352370547 (4.87956e-06% change) linmin: converged after 30 iterations. iteration 183: trace = 2.393050240136758 (4.68999e-06% change) linmin: converged after 2 iterations. iteration 184: trace = 2.39305012344129 (4.87643e-06% change) linmin: converged after 3 iterations. iteration 185: trace = 2.393050007224261 (4.85644e-06% change) large trace change predicted (3.59006e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.393049148137522 (3.58992e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.393048897864501 (1.04583e-05% change) large trace change predicted (5.16567e-05%) linmin: converged after 10 iterations. iteration 188: trace = 2.393047661810293 (5.16519e-05% change) linmin: converged after 2 iterations. iteration 189: trace = 2.393047288582124 (1.55964e-05% change) large trace change predicted (4.74302e-05%) linmin: converged after 2 iterations. iteration 190: trace = 2.393046153552176 (4.74303e-05% change) linmin: converged after 3 iterations. iteration 191: trace = 2.393045660119894 (2.06194e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.393044848532964 (3.39144e-05% change) linmin: converged after 2 iterations. iteration 193: trace = 2.393044152710887 (2.90769e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.393043747296282 (1.69414e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.393043452226482 (1.23303e-05% change) linmin: converged after 2 iterations. iteration 196: trace = 2.393043367892586 (3.52413e-06% change) linmin: converged after 3 iterations. iteration 197: trace = 2.393043233774954 (5.60448e-06% change) linmin: converged after 3 iterations. iteration 198: trace = 2.393043202141304 (1.3219e-06% change) linmin: converged after 3 iterations. iteration 199: trace = 2.393043140861097 (2.56076e-06% change) linmin: converged after 3 iterations. iteration 200: trace = 2.393043111103555 (1.2435e-06% change) linmin: converged after 2 iterations. iteration 201: trace = 2.393043071055111 (1.67354e-06% change) large trace change predicted (3.98465e-06%) linmin: converged after 2 iterations. iteration 202: trace = 2.39304297570062 (3.98465e-06% change) linmin: converged after 4 iterations. iteration 203: trace = 2.393042910833788 (2.71064e-06% change) large trace change predicted (5.69781e-06%) linmin: converged after 2 iterations. iteration 204: trace = 2.393042774477892 (5.69801e-06% change) linmin: converged after 4 iterations. iteration 205: trace = 2.393042679468776 (3.97022e-06% change) linmin: converged after 2 iterations. iteration 206: trace = 2.393042568613512 (4.6324e-06% change) linmin: converged after 3 iterations. iteration 207: trace = 2.393042508364706 (2.51767e-06% change) large trace change predicted (5.53465e-06%) linmin: converged after 18 iterations. iteration 208: trace = 2.393042375921082 (5.53453e-06% change) linmin: converged after 3 iterations. iteration 209: trace = 2.393042310229137 (2.74512e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.393042263551757 (1.95055e-06% change) linmin: converged after 2 iterations. iteration 211: trace = 2.393042191343329 (3.01743e-06% change) linmin: converged after 3 iterations. iteration 212: trace = 2.393042159208187 (1.34286e-06% change) linmin: converged after 2 iterations. iteration 213: trace = 2.39304209725361 (2.58895e-06% change) linmin: converged after 2 iterations. iteration 214: trace = 2.393042008034098 (3.72829e-06% change) linmin: converged after 3 iterations. iteration 215: trace = 2.393041988174821 (8.29876e-07% change) large trace change predicted (2.7594e-06%) linmin: converged after 2 iterations. iteration 216: trace = 2.393041922139514 (2.75947e-06% change) linmin: converged after 2 iterations. iteration 217: trace = 2.39304191065354 (4.79974e-07% change) large trace change predicted (1.05679e-06%) linmin: converged after 2 iterations. iteration 218: trace = 2.393041885363711 (1.05681e-06% change) linmin: converged after 10 iterations. iteration 219: trace = 2.393041870454308 (6.23031e-07% change) linmin: converged after 2 iterations. iteration 220: trace = 2.393041860270376 (4.25564e-07% change) large trace change predicted (1.07954e-06%) linmin: converged after 2 iterations. iteration 221: trace = 2.393041834436323 (1.07955e-06% change) linmin: converged after 4 iterations. iteration 222: trace = 2.393041824340318 (4.2189e-07% change) large trace change predicted (2.20794e-06%) linmin: converged after 2 iterations. iteration 223: trace = 2.393041771502983 (2.20796e-06% change) linmin: converged after 11 iterations. iteration 224: trace = 2.393041731067234 (1.68972e-06% change) linmin: converged after 5 iterations. iteration 225: trace = 2.393041677725967 (2.22902e-06% change) linmin: converged after 2 iterations. iteration 226: trace = 2.393041595792564 (3.42382e-06% change) linmin: converged after 5 iterations. iteration 227: trace = 2.393041565391169 (1.27041e-06% change) large trace change predicted (2.87587e-06%) linmin: converged after 2 iterations. iteration 228: trace = 2.393041496569008 (2.87593e-06% change) linmin: converged after 2 iterations. iteration 229: trace = 2.393041460433195 (1.51004e-06% change) linmin: converged after 4 iterations. iteration 230: trace = 2.393041391788444 (2.86851e-06% change) linmin: converged after 2 iterations. iteration 231: trace = 2.393041352107085 (1.6582e-06% change) linmin: converged after 25 iterations. iteration 232: trace = 2.393041313737028 (1.6034e-06% change) linmin: converged after 18 iterations. iteration 233: trace = 2.393041296804725 (7.07564e-07% change) linmin: converged after 3 iterations. iteration 234: trace = 2.393041285423392 (4.75601e-07% change) linmin: converged after 2 iterations. iteration 235: trace = 2.393041270302679 (6.31862e-07% change) linmin: converged after 9 iterations. iteration 236: trace = 2.393041264402567 (2.46553e-07% change) large trace change predicted (8.41609e-07%) linmin: converged after 12 iterations. iteration 237: trace = 2.393041244262636 (8.41604e-07% change) linmin: converged after 13 iterations. iteration 238: trace = 2.393041234996021 (3.87232e-07% change) linmin: converged after 2 iterations. iteration 239: trace = 2.39304122302502 (5.00242e-07% change) linmin: converged after 9 iterations. iteration 240: trace = 2.393041213605773 (3.9361e-07% change) linmin: converged after 2 iterations. iteration 241: trace = 2.393041206373835 (3.02207e-07% change) linmin: converged after 2 iterations. iteration 242: trace = 2.393041200244062 (2.5615e-07% change) linmin: converged after 2 iterations. iteration 243: trace = 2.393041188949209 (4.71987e-07% change) linmin: converged after 2 iterations. iteration 244: trace = 2.39304118225587 (2.797e-07% change) large trace change predicted (8.07156e-07%) linmin: converged after 3 iterations. iteration 245: trace = 2.393041162939943 (8.07171e-07% change) linmin: converged after 4 iterations. iteration 246: trace = 2.393041142348072 (8.6049e-07% change) large trace change predicted (1.79366e-06%) linmin: converged after 2 iterations. iteration 247: trace = 2.393041099424753 (1.79367e-06% change) linmin: converged after 2 iterations. iteration 248: trace = 2.393041058235112 (1.72123e-06% change) linmin: converged after 7 iterations. iteration 249: trace = 2.393040993189666 (2.71811e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.393040943073716 (2.09424e-06% change) large trace change predicted (5.70412e-06%) linmin: converged after 3 iterations. iteration 251: trace = 2.393040806572129 (5.70411e-06% change) linmin: converged after 2 iterations. iteration 252: trace = 2.393040766142772 (1.68946e-06% change) large trace change predicted (3.48826e-06%) linmin: converged after 4 iterations. iteration 253: trace = 2.39304068266847 (3.48821e-06% change) linmin: converged after 5 iterations. iteration 254: trace = 2.393040662878805 (8.26967e-07% change) large trace change predicted (1.7113e-06%) linmin: converged after 12 iterations. iteration 255: trace = 2.393040621927048 (1.71129e-06% change) linmin: converged after 19 iterations. iteration 256: trace = 2.39304061301991 (3.7221e-07% change) linmin: converged after 2 iterations. iteration 257: trace = 2.393040595884254 (7.16062e-07% change) linmin: converged after 3 iterations. iteration 258: trace = 2.393040590075302 (2.42744e-07% change) large trace change predicted (5.30346e-07%) linmin: converged after 6 iterations. iteration 259: trace = 2.393040577383956 (5.30344e-07% change) linmin: converged after 12 iterations. iteration 260: trace = 2.393040571405063 (2.49845e-07% change) large trace change predicted (5.10073e-07%) linmin: converged after 13 iterations. iteration 261: trace = 2.393040559198907 (5.10069e-07% change) linmin: converged after 3 iterations. iteration 262: trace = 2.39304054768731 (4.81045e-07% change) linmin: converged after 2 iterations. iteration 263: trace = 2.393040530831366 (7.04373e-07% change) linmin: converged after 3 iterations. iteration 264: trace = 2.393040516593679 (5.94962e-07% change) linmin: converged after 2 iterations. iteration 265: trace = 2.393040506125241 (4.37453e-07% change) large trace change predicted (1.35114e-06%) linmin: converged after 11 iterations. iteration 266: trace = 2.393040473792318 (1.35112e-06% change) linmin: converged after 4 iterations. iteration 267: trace = 2.393040464223768 (3.99849e-07% change) large trace change predicted (1.79378e-06%) linmin: converged after 13 iterations. iteration 268: trace = 2.393040421298389 (1.79376e-06% change) linmin: converged after 23 iterations. iteration 269: trace = 2.393040410675259 (4.43918e-07% change) large trace change predicted (1.67652e-06%) linmin: converged after 28 iterations. iteration 270: trace = 2.393040370556017 (1.6765e-06% change) linmin: converged after 6 iterations. iteration 271: trace = 2.393040347284755 (9.72456e-07% change) linmin: converged after 17 iterations. iteration 272: trace = 2.393040318102536 (1.21946e-06% change) large trace change predicted (2.59327e-06%) linmin: converged after 4 iterations. iteration 273: trace = 2.393040256045588 (2.59323e-06% change) linmin: converged after 2 iterations. iteration 274: trace = 2.393040229145719 (1.12409e-06% change) large trace change predicted (2.33597e-06%) linmin: converged after 4 iterations. iteration 275: trace = 2.393040173245435 (2.33595e-06% change) linmin: converged after 2 iterations. iteration 276: trace = 2.393040137066297 (1.51185e-06% change) linmin: converged after 2 iterations. iteration 277: trace = 2.393040092276517 (1.87167e-06% change) linmin: converged after 9 iterations. iteration 278: trace = 2.393040079006626 (5.5452e-07% change) large trace change predicted (1.17469e-06%) linmin: converged after 3 iterations. iteration 279: trace = 2.393040050895917 (1.17469e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 280: trace = 2.393040043584102 (3.05545e-07% change) linmin: converged after 6 iterations. iteration 281: trace = 2.393040035910132 (3.20679e-07% change) linmin: converged after 2 iterations. iteration 282: trace = 2.39304002554926 (4.32959e-07% change) linmin: converged after 4 iterations. iteration 283: trace = 2.393040020108439 (2.2736e-07% change) large trace change predicted (7.27753e-07%) linmin: converged after 3 iterations. iteration 284: trace = 2.393040002693031 (7.27753e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 2.393039984439687 (7.62768e-07% change) linmin: converged after 2 iterations. iteration 286: trace = 2.393039961230745 (9.69852e-07% change) linmin: converged after 2 iterations. iteration 287: trace = 2.393039933065368 (1.17697e-06% change) linmin: converged after 20 iterations. iteration 288: trace = 2.393039925243141 (3.26874e-07% change) large trace change predicted (7.62461e-07%) linmin: converged after 2 iterations. iteration 289: trace = 2.393039906997088 (7.62463e-07% change) linmin: converged after 3 iterations. iteration 290: trace = 2.393039896953985 (4.1968e-07% change) linmin: converged after 3 iterations. iteration 291: trace = 2.393039885902561 (4.61815e-07% change) linmin: converged after 2 iterations. iteration 292: trace = 2.393039866000343 (8.31671e-07% change) linmin: converged after 2 iterations. iteration 293: trace = 2.393039858238609 (3.24346e-07% change) large trace change predicted (8.20026e-07%) linmin: converged after 4 iterations. iteration 294: trace = 2.393039838615123 (8.20023e-07% change) linmin: converged after 3 iterations. iteration 295: trace = 2.393039834963349 (1.526e-07% change) large trace change predicted (3.34975e-07%) linmin: converged after 2 iterations. iteration 296: trace = 2.393039826947258 (3.34975e-07% change) linmin: converged after 23 iterations. iteration 297: trace = 2.393039821890845 (2.11297e-07% change) linmin: converged after 3 iterations. iteration 298: trace = 2.393039819754568 (8.92704e-08% change) large trace change predicted (1.78855e-07%) linmin: converged after 2 iterations. iteration 299: trace = 2.393039815474498 (1.78855e-07% change) linmin: converged after 6 iterations. iteration 300: trace = 2.393039814588436 (3.70266e-08% change) large trace change predicted (1.68951e-07%) linmin: converged after 3 iterations. iteration 301: trace = 2.393039810545384 (1.6895e-07% change) linmin: converged after 4 iterations. iteration 302: trace = 2.393039808764906 (7.44023e-08% change) large trace change predicted (1.59874e-07%) linmin: converged after 4 iterations. iteration 303: trace = 2.393039804939095 (1.59872e-07% change) linmin: converged after 9 iterations. iteration 304: trace = 2.393039797307099 (3.18925e-07% change) linmin: converged after 16 iterations. iteration 305: trace = 2.393039794197577 (1.2994e-07% change) large trace change predicted (5.82893e-07%) linmin: converged after 18 iterations. iteration 306: trace = 2.393039780248832 (5.82888e-07% change) linmin: converged after 2 iterations. iteration 307: trace = 2.393039764786827 (6.46124e-07% change) linmin: converged after 4 iterations. iteration 308: trace = 2.393039750017864 (6.17163e-07% change) linmin: converged after 10 iterations. iteration 309: trace = 2.393039725756483 (1.01383e-06% change) linmin: converged after 22 iterations. iteration 310: trace = 2.393039718096837 (3.2008e-07% change) linmin: converged after 3 iterations. iteration 311: trace = 2.393039706517889 (4.83859e-07% change) linmin: converged after 2 iterations. iteration 312: trace = 2.393039699042665 (3.12374e-07% change) linmin: converged after 4 iterations. iteration 313: trace = 2.393039696594512 (1.02303e-07% change) large trace change predicted (2.13049e-07%) linmin: converged after 3 iterations. iteration 314: trace = 2.393039691496138 (2.1305e-07% change) linmin: converged after 4 iterations. iteration 315: trace = 2.393039689697536 (7.51597e-08% change) linmin: converged after 2 iterations. iteration 316: trace = 2.393039687681912 (8.42286e-08% change) linmin: converged after 2 iterations. iteration 317: trace = 2.39303968498274 (1.12793e-07% change) linmin: converged after 3 iterations. iteration 318: trace = 2.393039683739993 (5.19317e-08% change) linmin: converged after 4 iterations. iteration 319: trace = 2.393039681923726 (7.58979e-08% change) linmin: converged after 4 iterations. iteration 320: trace = 2.39303967940794 (1.05129e-07% change) linmin: converged after 3 iterations. iteration 321: trace = 2.393039677769733 (6.84572e-08% change) linmin: converged after 2 iterations. iteration 322: trace = 2.393039674736269 (1.26762e-07% change) linmin: converged after 3 iterations. iteration 323: trace = 2.393039673671995 (4.44737e-08% change) linmin: converged after 2 iterations. iteration 324: trace = 2.393039671689107 (8.28606e-08% change) linmin: converged after 2 iterations. iteration 325: trace = 2.393039669297133 (9.99555e-08% change) linmin: converged after 4 iterations. iteration 326: trace = 2.393039666406318 (1.20801e-07% change) large trace change predicted (5.24281e-07%) linmin: converged after 3 iterations. iteration 327: trace = 2.393039653860141 (5.24278e-07% change) linmin: converged after 3 iterations. iteration 328: trace = 2.3930396501451 (1.55244e-07% change) large trace change predicted (5.14658e-07%) linmin: converged after 6 iterations. iteration 329: trace = 2.393039637829149 (5.14657e-07% change) linmin: converged after 3 iterations. iteration 330: trace = 2.393039628784646 (3.7795e-07% change) linmin: converged after 3 iterations. iteration 331: trace = 2.393039624315906 (1.86739e-07% change) linmin: converged after 6 iterations. iteration 332: trace = 2.393039617113109 (3.00989e-07% change) linmin: converged after 3 iterations. iteration 333: trace = 2.393039613074678 (1.68757e-07% change) linmin: converged after 4 iterations. iteration 334: trace = 2.393039608390692 (1.95734e-07% change) linmin: converged after 2 iterations. iteration 335: trace = 2.393039604260139 (1.72607e-07% change) linmin: converged after 4 iterations. iteration 336: trace = 2.393039602837053 (5.94677e-08% change) linmin: converged after 2 iterations. iteration 337: trace = 2.393039600217194 (1.09478e-07% change) linmin: converged after 3 iterations. iteration 338: trace = 2.393039599260687 (3.99704e-08% change) linmin: converged after 6 iterations. iteration 339: trace = 2.393039597648655 (6.73634e-08% change) linmin: converged after 4 iterations. iteration 340: trace = 2.393039594774919 (1.20087e-07% change) linmin: converged after 6 iterations. iteration 341: trace = 2.393039593562678 (5.06569e-08% change) large trace change predicted (1.431e-07%) linmin: converged after 3 iterations. iteration 342: trace = 2.393039590138249 (1.431e-07% change) linmin: converged after 10 iterations. iteration 343: trace = 2.393039588886906 (5.2291e-08% change) large trace change predicted (2.05461e-07%) linmin: converged after 9 iterations. iteration 344: trace = 2.393039583970162 (2.0546e-07% change) linmin: converged after 3 iterations. iteration 345: trace = 2.39303958056545 (1.42276e-07% change) linmin: converged after 12 iterations. iteration 346: trace = 2.393039578776684 (7.47487e-08% change) large trace change predicted (3.7855e-07%) linmin: converged after 6 iterations. iteration 347: trace = 2.393039569717871 (3.78548e-07% change) linmin: converged after 3 iterations. iteration 348: trace = 2.393039561714139 (3.34459e-07% change) large trace change predicted (9.27901e-07%) linmin: converged after 9 iterations. iteration 349: trace = 2.393039539509207 (9.27897e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.393039530334008 (3.83412e-07% change) linmin: converged after 6 iterations. iteration 351: trace = 2.393039524007444 (2.64374e-07% change) linmin: converged after 4 iterations. iteration 352: trace = 2.393039518614078 (2.25377e-07% change) linmin: converged after 2 iterations. iteration 353: trace = 2.393039516682342 (8.07231e-08% change) linmin: converged after 31 iterations. iteration 354: trace = 2.393039515497306 (4.95201e-08% change) linmin: converged after 28 iterations. iteration 355: trace = 2.393039513467057 (8.48397e-08% change) linmin: converged after 3 iterations. iteration 356: trace = 2.393039512971261 (2.07183e-08% change) large trace change predicted (5.51477e-08%) linmin: converged after 26 iterations. iteration 357: trace = 2.393039511651555 (5.51477e-08% change) linmin: converged after 3 iterations. iteration 358: trace = 2.393039510858201 (3.31525e-08% change) linmin: converged after 3 iterations. iteration 359: trace = 2.393039510361972 (2.07364e-08% change) linmin: converged after 2 iterations. iteration 360: trace = 2.393039509532697 (3.46536e-08% change) linmin: converged after 19 iterations. iteration 361: trace = 2.39303950870204 (3.47114e-08% change) linmin: converged after 10 iterations. iteration 362: trace = 2.393039508083983 (2.58273e-08% change) linmin: converged after 2 iterations. iteration 363: trace = 2.393039507035475 (4.38149e-08% change) linmin: converged after 2 iterations. iteration 364: trace = 2.39303950644532 (2.46613e-08% change) large trace change predicted (7.14075e-08%) linmin: converged after 2 iterations. iteration 365: trace = 2.393039504736507 (7.14076e-08% change) linmin: converged after 10 iterations. iteration 366: trace = 2.393039504078556 (2.74944e-08% change) large trace change predicted (6.69719e-08%) linmin: converged after 2 iterations. iteration 367: trace = 2.393039502475891 (6.6972e-08% change) linmin: converged after 30 iterations. iteration 368: trace = 2.393039500282299 (9.16655e-08% change) linmin: converged after 4 iterations. iteration 369: trace = 2.393039498972043 (5.47528e-08% change) large trace change predicted (1.45165e-07%) linmin: converged after 2 iterations. iteration 370: trace = 2.393039495498195 (1.45165e-07% change) linmin: converged after 4 iterations. iteration 371: trace = 2.393039494758401 (3.09144e-08% change) large trace change predicted (1.01346e-07%) linmin: converged after 30 iterations. iteration 372: trace = 2.393039492333147 (1.01346e-07% change) linmin: converged after 4 iterations. iteration 373: trace = 2.393039491329326 (4.19475e-08% change) linmin: converged after 4 iterations. iteration 374: trace = 2.393039490730068 (2.50417e-08% change) linmin: converged after 23 iterations. iteration 375: trace = 2.393039489641627 (4.54837e-08% change) linmin: converged after 17 iterations. iteration 376: trace = 2.393039489380868 (1.08966e-08% change) large trace change predicted (2.79e-08%) linmin: converged after 18 iterations. iteration 377: trace = 2.393039488713208 (2.79001e-08% change) linmin: converged after 12 iterations. iteration 378: trace = 2.393039488473531 (1.00156e-08% change) large trace change predicted (2.1849e-08%) linmin: converged after 21 iterations. iteration 379: trace = 2.393039487950677 (2.1849e-08% change) linmin: converged after 2 iterations. iteration 380: trace = 2.393039487541194 (1.71114e-08% change) linmin: converged after 4 iterations. iteration 381: trace = 2.393039487209535 (1.38593e-08% change) large trace change predicted (2.79317e-08%) linmin: converged after 2 iterations. iteration 382: trace = 2.393039486541117 (2.79318e-08% change) linmin: converged after 4 iterations. iteration 383: trace = 2.393039486304621 (9.88267e-09% change) large trace change predicted (3.49113e-08%) linmin: converged after 3 iterations. iteration 384: trace = 2.39303948546918 (3.49113e-08% change) linmin: converged after 14 iterations. iteration 385: trace = 2.393039485103423 (1.52842e-08% change) linmin: converged after 2 iterations. iteration 386: trace = 2.393039484425752 (2.83184e-08% change) linmin: converged after 3 iterations. iteration 387: trace = 2.393039483733097 (2.89446e-08% change) linmin: converged after 3 iterations. iteration 388: trace = 2.393039483181924 (2.30324e-08% change) large trace change predicted (8.23067e-08%) linmin: converged after 4 iterations. iteration 389: trace = 2.393039481212295 (8.23066e-08% change) linmin: converged after 3 iterations. iteration 390: trace = 2.393039480078674 (4.73716e-08% change) large trace change predicted (1.55825e-07%) linmin: converged after 3 iterations. iteration 391: trace = 2.39303947634973 (1.55825e-07% change) linmin: converged after 4 iterations. iteration 392: trace = 2.393039474223412 (8.88543e-08% change) linmin: converged after 6 iterations. iteration 393: trace = 2.393039472437169 (7.46433e-08% change) linmin: converged after 24 iterations. iteration 394: trace = 2.393039471181656 (5.24652e-08% change) linmin: converged after 10 iterations. iteration 395: trace = 2.393039470786062 (1.6531e-08% change) large trace change predicted (3.57493e-08%) linmin: converged after 25 iterations. iteration 396: trace = 2.393039469930568 (3.57493e-08% change) linmin: converged after 4 iterations. iteration 397: trace = 2.393039469546422 (1.60527e-08% change) linmin: converged after 4 iterations. iteration 398: trace = 2.393039469046133 (2.0906e-08% change) linmin: converged after 19 iterations. iteration 399: trace = 2.393039468798518 (1.03473e-08% change) linmin: converged after 4 iterations. iteration 400: trace = 2.393039468478962 (1.33536e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.393039468069249 (1.7121e-08% change) linmin: converged after 4 iterations. iteration 402: trace = 2.393039467854572 (8.9709e-09% change) large trace change predicted (5.10206e-08%) linmin: converged after 24 iterations. iteration 403: trace = 2.393039466633632 (5.10205e-08% change) linmin: converged after 4 iterations. iteration 404: trace = 2.3930394658094 (3.44429e-08% change) linmin: converged after 17 iterations. iteration 405: trace = 2.393039464623075 (4.9574e-08% change) linmin: converged after 4 iterations. iteration 406: trace = 2.393039462972266 (6.89838e-08% change) linmin: converged after 4 iterations. iteration 407: trace = 2.393039462314115 (2.75027e-08% change) large trace change predicted (6.32846e-08%) linmin: converged after 2 iterations. iteration 408: trace = 2.393039460799692 (6.32845e-08% change) linmin: converged after 2 iterations. iteration 409: trace = 2.393039459906495 (3.73248e-08% change) linmin: converged after 10 iterations. iteration 410: trace = 2.393039459215806 (2.88624e-08% change) linmin: converged after 3 iterations. iteration 411: trace = 2.393039458207819 (4.21216e-08% change) linmin: converged after 17 iterations. iteration 412: trace = 2.393039457948444 (1.08387e-08% change) large trace change predicted (3.21758e-08%) linmin: converged after 3 iterations. iteration 413: trace = 2.393039457178463 (3.21759e-08% change) linmin: converged after 3 iterations. iteration 414: trace = 2.393039456890699 (1.2025e-08% change) linmin: converged after 4 iterations. iteration 415: trace = 2.393039456468653 (1.76364e-08% change) linmin: converged after 2 iterations. iteration 416: trace = 2.393039455915877 (2.30993e-08% change) linmin: converged after 2 iterations. iteration 417: trace = 2.393039455793205 (5.12622e-09% change) large trace change predicted (2.19269e-08%) linmin: converged after 21 iterations. iteration 418: trace = 2.393039455268485 (2.19269e-08% change) linmin: converged after 27 iterations. iteration 419: trace = 2.393039455163028 (4.40686e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.393039455081534 (3.40544e-09% change) large trace change predicted (1.28231e-08%) linmin: converged after 2 iterations. iteration 421: trace = 2.393039454774672 (1.28231e-08% change) linmin: converged after 4 iterations. iteration 422: trace = 2.393039454618046 (6.54506e-09% change) large trace change predicted (1.46806e-08%) linmin: converged after 3 iterations. iteration 423: trace = 2.393039454266736 (1.46805e-08% change) linmin: converged after 4 iterations. iteration 424: trace = 2.393039453848227 (1.74886e-08% change) linmin: converged after 27 iterations. iteration 425: trace = 2.393039453604065 (1.0203e-08% change) large trace change predicted (2.14839e-08%) linmin: converged after 2 iterations. iteration 426: trace = 2.393039453089949 (2.14838e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.393039452823184 (1.11475e-08% change) linmin: converged after 2 iterations. iteration 428: trace = 2.39303945231017 (2.14378e-08% change) linmin: converged after 3 iterations. iteration 429: trace = 2.393039451925552 (1.60724e-08% change) linmin: converged after 23 iterations. iteration 430: trace = 2.393039451541071 (1.60666e-08% change) linmin: converged after 3 iterations. iteration 431: trace = 2.39303945081216 (3.04596e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.393039450415854 (1.65608e-08% change) linmin: converged after 2 iterations. iteration 433: trace = 2.393039449685276 (3.05293e-08% change) linmin: converged after 3 iterations. iteration 434: trace = 2.39303944944451 (1.00611e-08% change) large trace change predicted (2.67535e-08%) linmin: converged after 4 iterations. iteration 435: trace = 2.393039448804291 (2.67534e-08% change) linmin: converged after 2 iterations. iteration 436: trace = 2.393039448613129 (7.98826e-09% change) large trace change predicted (2.03646e-08%) linmin: converged after 2 iterations. iteration 437: trace = 2.393039448125796 (2.03646e-08% change) linmin: converged after 3 iterations. iteration 438: trace = 2.393039448053937 (3.00285e-09% change) large trace change predicted (9.93031e-09%) linmin: converged after 2 iterations. iteration 439: trace = 2.393039447816299 (9.93036e-09% change) linmin: converged after 3 iterations. iteration 440: trace = 2.393039447748134 (2.84845e-09% change) linmin: converged after 3 iterations. iteration 441: trace = 2.393039447623873 (5.19264e-09% change) linmin: converged after 3 iterations. iteration 442: trace = 2.393039447561049 (2.62526e-09% change) large trace change predicted (6.60229e-09%) linmin: converged after 2 iterations. iteration 443: trace = 2.393039447403053 (6.60231e-09% change) linmin: converged after 2 iterations. iteration 444: trace = 2.39303944732493 (3.26461e-09% change) large trace change predicted (1.01264e-08%) linmin: converged after 10 iterations. iteration 445: trace = 2.393039447082602 (1.01264e-08% change) linmin: converged after 3 iterations. iteration 446: trace = 2.393039446943546 (5.81083e-09% change) large trace change predicted (1.73585e-08%) linmin: converged after 3 iterations. iteration 447: trace = 2.393039446528151 (1.73585e-08% change) linmin: converged after 8 iterations. iteration 448: trace = 2.393039446015525 (2.14215e-08% change) linmin: converged after 2 iterations. iteration 449: trace = 2.393039445571531 (1.85536e-08% change) linmin: converged after 4 iterations. iteration 450: trace = 2.393039444758272 (3.39843e-08% change) linmin: converged after 29 iterations. iteration 451: trace = 2.393039444416251 (1.42923e-08% change) linmin: converged after 3 iterations. iteration 452: trace = 2.393039443980618 (1.82042e-08% change) linmin: converged after 4 iterations. iteration 453: trace = 2.393039443780794 (8.35021e-09% change) linmin: converged after 2 iterations. iteration 454: trace = 2.393039443549136 (9.6805e-09% change) linmin: converged after 25 iterations. iteration 455: trace = 2.393039443436664 (4.69994e-09% change) linmin: converged after 4 iterations. iteration 456: trace = 2.393039443270879 (6.92783e-09% change) linmin: converged after 6 iterations. iteration 457: trace = 2.393039443188931 (3.4244e-09% change) linmin: converged after 3 iterations. iteration 458: trace = 2.393039443044277 (6.0448e-09% change) linmin: converged after 3 iterations. iteration 459: trace = 2.39303944298991 (2.27189e-09% change) large trace change predicted (8.28366e-09%) linmin: converged after 2 iterations. iteration 460: trace = 2.393039442791682 (8.28349e-09% change) linmin: converged after 14 iterations. iteration 461: trace = 2.393039442749653 (1.7563e-09% change) large trace change predicted (5.97115e-09%) linmin: converged after 3 iterations. iteration 462: trace = 2.393039442606761 (5.97117e-09% change) linmin: converged after 25 iterations. iteration 463: trace = 2.39303944256638 (1.68742e-09% change) large trace change predicted (4.09607e-09%) linmin: converged after 2 iterations. iteration 464: trace = 2.393039442468357 (4.09619e-09% change) linmin: converged after 8 iterations. iteration 465: trace = 2.393039442419999 (2.02077e-09% change) linmin: converged after 15 iterations. iteration 466: trace = 2.393039442347808 (3.01671e-09% change) linmin: converged after 4 iterations. iteration 467: trace = 2.393039442273152 (3.11971e-09% change) linmin: converged after 20 iterations. iteration 468: trace = 2.393039442142555 (5.45738e-09% change) linmin: converged after 3 iterations. iteration 469: trace = 2.393039442076984 (2.74006e-09% change) large trace change predicted (1.16409e-08%) linmin: converged after 2 iterations. iteration 470: trace = 2.393039441798411 (1.1641e-08% change) linmin: converged after 16 iterations. iteration 471: trace = 2.393039441675736 (5.1263e-09% change) large trace change predicted (1.43582e-08%) linmin: converged after 8 iterations. iteration 472: trace = 2.39303944133214 (1.43582e-08% change) linmin: converged after 4 iterations. iteration 473: trace = 2.393039441097609 (9.80053e-09% change) linmin: converged after 3 iterations. iteration 474: trace = 2.393039440722298 (1.56835e-08% change) linmin: converged after 4 iterations. iteration 475: trace = 2.393039440436632 (1.19374e-08% change) linmin: converged after 3 iterations. iteration 476: trace = 2.393039440165509 (1.13296e-08% change) linmin: converged after 19 iterations. iteration 477: trace = 2.393039439929586 (9.85873e-09% change) linmin: converged after 20 iterations. iteration 478: trace = 2.393039439818141 (4.65701e-09% change) large trace change predicted (9.52447e-09%) linmin: converged after 3 iterations. iteration 479: trace = 2.393039439590219 (9.52438e-09% change) linmin: converged after 6 iterations. iteration 480: trace = 2.393039439529571 (2.53435e-09% change) linmin: converged after 4 iterations. iteration 481: trace = 2.393039439425098 (4.36574e-09% change) linmin: converged after 4 iterations. iteration 482: trace = 2.393039439369573 (2.32027e-09% change) linmin: converged after 6 iterations. iteration 483: trace = 2.393039439287506 (3.4294e-09% change) linmin: converged after 3 iterations. iteration 484: trace = 2.393039439238953 (2.02893e-09% change) linmin: converged after 3 iterations. iteration 485: trace = 2.393039439143538 (3.98716e-09% change) linmin: converged after 5 iterations. iteration 486: trace = 2.393039439105284 (1.59855e-09% change) large trace change predicted (4.7465e-09%) linmin: converged after 3 iterations. iteration 487: trace = 2.393039438991697 (4.74657e-09% change) linmin: converged after 3 iterations. iteration 488: trace = 2.393039438928778 (2.62927e-09% change) linmin: converged after 3 iterations. iteration 489: trace = 2.393039438831347 (4.07143e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.393039438770665 (2.53574e-09% change) linmin: converged after 2 iterations. iteration 491: trace = 2.393039438727107 (1.82022e-09% change) linmin: converged after 12 iterations. iteration 492: trace = 2.393039438645211 (3.42227e-09% change) linmin: converged after 4 iterations. iteration 493: trace = 2.393039438608041 (1.55325e-09% change) large trace change predicted (4.01501e-09%) linmin: converged after 2 iterations. iteration 494: trace = 2.39303943851196 (4.015e-09% change) linmin: converged after 4 iterations. iteration 495: trace = 2.393039438391947 (5.0151e-09% change) linmin: converged after 8 iterations. iteration 496: trace = 2.393039438354112 (1.58105e-09% change) large trace change predicted (5.35413e-09%) linmin: converged after 3 iterations. iteration 497: trace = 2.393039438225987 (5.35409e-09% change) linmin: converged after 15 iterations. iteration 498: trace = 2.393039438141694 (3.52239e-09% change) linmin: converged after 13 iterations. iteration 499: trace = 2.393039438094008 (1.99271e-09% change) large trace change predicted (4.68971e-09%) linmin: converged after 4 iterations. iteration 500: trace = 2.393039437981779 (4.68981e-09% change) linmin: converged after 19 iterations. iteration 501: trace = 2.393039437940803 (1.7123e-09% change) large trace change predicted (8.68295e-09%) linmin: converged after 4 iterations. iteration 502: trace = 2.393039437733017 (8.68294e-09% change) linmin: converged after 18 iterations. iteration 503: trace = 2.393039437666702 (2.77116e-09% change) large trace change predicted (1.17784e-08%) linmin: converged after 4 iterations. iteration 504: trace = 2.393039437384841 (1.17784e-08% change) linmin: converged after 4 iterations. iteration 505: trace = 2.393039437295321 (3.74083e-09% change) large trace change predicted (1.00383e-08%) linmin: converged after 2 iterations. iteration 506: trace = 2.3930394370551 (1.00383e-08% change) linmin: converged after 21 iterations. iteration 507: trace = 2.393039436967758 (3.6498e-09% change) linmin: converged after 4 iterations. iteration 508: trace = 2.393039436834583 (5.56511e-09% change) linmin: converged after 3 iterations. iteration 509: trace = 2.393039436771053 (2.6548e-09% change) linmin: converged after 12 iterations. iteration 510: trace = 2.393039436692701 (3.27416e-09% change) linmin: converged after 3 iterations. iteration 511: trace = 2.393039436663756 (1.20954e-09% change) linmin: converged after 6 iterations. iteration 512: trace = 2.393039436628705 (1.46471e-09% change) linmin: converged after 4 iterations. iteration 513: trace = 2.393039436596319 (1.35331e-09% change) linmin: converged after 8 iterations. iteration 514: trace = 2.393039436574894 (8.95308e-10% change) large trace change predicted (2.31083e-09%) linmin: converged after 8 iterations. iteration 515: trace = 2.393039436519594 (2.31088e-09% change) linmin: converged after 3 iterations. iteration 516: trace = 2.39303943649859 (8.77734e-10% change) large trace change predicted (3.82906e-09%) linmin: converged after 3 iterations. iteration 517: trace = 2.39303943640696 (3.82901e-09% change) linmin: converged after 2 iterations. iteration 518: trace = 2.39303943636861 (1.60255e-09% change) linmin: converged after 11 iterations. iteration 519: trace = 2.393039436322549 (1.92481e-09% change) linmin: converged after 2 iterations. iteration 520: trace = 2.393039436271038 (2.15251e-09% change) linmin: converged after 3 iterations. iteration 521: trace = 2.393039436244692 (1.10094e-09% change) large trace change predicted (3.17061e-09%) linmin: converged after 3 iterations. iteration 522: trace = 2.393039436168818 (3.17061e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.393039436097631 (2.97477e-09% change) linmin: converged after 4 iterations. iteration 524: trace = 2.393039435995211 (4.27989e-09% change) linmin: converged after 4 iterations. iteration 525: trace = 2.393039435818145 (7.39921e-09% change) linmin: converged after 3 iterations. iteration 526: trace = 2.393039435723086 (3.97233e-09% change) linmin: converged after 19 iterations. iteration 527: trace = 2.393039435536705 (7.78847e-09% change) linmin: converged after 6 iterations. iteration 528: trace = 2.393039435449276 (3.65346e-09% change) linmin: converged after 6 iterations. iteration 529: trace = 2.393039435338912 (4.61188e-09% change) linmin: converged after 2 iterations. iteration 530: trace = 2.393039435244189 (3.95829e-09% change) linmin: converged after 4 iterations. iteration 531: trace = 2.393039435199449 (1.86956e-09% change) linmin: converged after 2 iterations. iteration 532: trace = 2.393039435130634 (2.87564e-09% change) linmin: converged after 14 iterations. iteration 533: trace = 2.393039435113299 (7.24394e-10% change) linmin: converged after 3 iterations. iteration 534: trace = 2.393039435083929 (1.22732e-09% change) linmin: converged after 3 iterations. iteration 535: trace = 2.393039435061976 (9.17355e-10% change) linmin: converged after 3 iterations. iteration 536: trace = 2.393039435043413 (7.75705e-10% change) large trace change predicted (2.37715e-09%) linmin: converged after 3 iterations. iteration 537: trace = 2.393039434986528 (2.37709e-09% change) linmin: converged after 5 iterations. iteration 538: trace = 2.393039434959441 (1.13194e-09% change) large trace change predicted (4.77728e-09%) linmin: converged after 4 iterations. iteration 539: trace = 2.393039434845119 (4.77725e-09% change) linmin: converged after 3 iterations. iteration 540: trace = 2.393039434792144 (2.21371e-09% change) large trace change predicted (4.44573e-09%) linmin: converged after 4 iterations. iteration 541: trace = 2.393039434685755 (4.44579e-09% change) linmin: converged after 4 iterations. iteration 542: trace = 2.393039434547814 (5.76427e-09% change) linmin: converged after 27 iterations. iteration 543: trace = 2.393039434463725 (3.51387e-09% change) linmin: converged after 2 iterations. iteration 544: trace = 2.393039434327819 (5.67926e-09% change) linmin: converged after 2 iterations. iteration 545: trace = 2.393039434297494 (1.26718e-09% change) large trace change predicted (4.76578e-09%) linmin: converged after 2 iterations. iteration 546: trace = 2.393039434183446 (4.76584e-09% change) linmin: converged after 4 iterations. iteration 547: trace = 2.393039434155507 (1.16753e-09% change) linmin: converged after 3 iterations. iteration 548: trace = 2.393039434110598 (1.87663e-09% change) linmin: converged after 3 iterations. iteration 549: trace = 2.39303943405266 (2.42111e-09% change) linmin: converged after 7 iterations. iteration 550: trace = 2.393039434021908 (1.28505e-09% change) large trace change predicted (2.72009e-09%) linmin: converged after 3 iterations. iteration 551: trace = 2.393039433956814 (2.72016e-09% change) linmin: converged after 13 iterations. iteration 552: trace = 2.39303943394262 (5.93117e-10% change) large trace change predicted (1.4614e-09%) linmin: converged after 6 iterations. iteration 553: trace = 2.39303943390765 (1.46133e-09% change) linmin: converged after 4 iterations. iteration 554: trace = 2.393039433887136 (8.57228e-10% change) linmin: converged after 4 iterations. iteration 555: trace = 2.393039433871071 (6.71338e-10% change) large trace change predicted (2.49889e-09%) linmin: converged after 15 iterations. iteration 556: trace = 2.393039433811273 (2.49881e-09% change) linmin: converged after 5 iterations. iteration 557: trace = 2.39303943377127 (1.67163e-09% change) large trace change predicted (3.87363e-09%) linmin: converged after 3 iterations. iteration 558: trace = 2.393039433678571 (3.87372e-09% change) linmin: converged after 12 iterations. iteration 559: trace = 2.393039433633079 (1.90102e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.393039433591982 (1.71733e-09% change) linmin: converged after 4 iterations. iteration 561: trace = 2.393039433535898 (2.34363e-09% change) linmin: converged after 10 iterations. iteration 562: trace = 2.393039433476222 (2.49374e-09% change) linmin: converged after 3 iterations. iteration 563: trace = 2.393039433456065 (8.42308e-10% change) linmin: converged after 4 iterations. iteration 564: trace = 2.393039433422571 (1.39967e-09% change) linmin: converged after 2 iterations. iteration 565: trace = 2.393039433403372 (8.02261e-10% change) linmin: converged after 20 iterations. iteration 566: trace = 2.393039433378293 (1.048e-09% change) linmin: converged after 4 iterations. iteration 567: trace = 2.393039433347348 (1.29313e-09% change) linmin: converged after 3 iterations. iteration 568: trace = 2.39303943333379 (5.66562e-10% change) large trace change predicted (1.65308e-09%) linmin: converged after 3 iterations. iteration 569: trace = 2.393039433294231 (1.65311e-09% change) linmin: converged after 2 iterations. iteration 570: trace = 2.393039433267218 (1.1288e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.393039433251191 (6.69723e-10% change) large trace change predicted (2.59613e-09%) linmin: converged after 6 iterations. iteration 572: trace = 2.393039433189065 (2.59613e-09% change) linmin: converged after 10 iterations. iteration 573: trace = 2.393039433169208 (8.29763e-10% change) large trace change predicted (3.32246e-09%) linmin: converged after 11 iterations. iteration 574: trace = 2.3930394330897 (3.32247e-09% change) linmin: converged after 11 iterations. iteration 575: trace = 2.393039433039307 (2.10582e-09% change) linmin: converged after 3 iterations. iteration 576: trace = 2.393039433008009 (1.30788e-09% change) linmin: converged after 3 iterations. iteration 577: trace = 2.393039432966736 (1.72474e-09% change) linmin: converged after 2 iterations. iteration 578: trace = 2.393039432937859 (1.2067e-09% change) large trace change predicted (2.95829e-09%) linmin: converged after 2 iterations. iteration 579: trace = 2.393039432867064 (2.95837e-09% change) linmin: converged after 3 iterations. iteration 580: trace = 2.393039432836827 (1.26355e-09% change) linmin: converged after 2 iterations. iteration 581: trace = 2.393039432817371 (8.13006e-10% change) linmin: converged after 6 iterations. iteration 582: trace = 2.393039432800204 (7.1736e-10% change) linmin: converged after 13 iterations. iteration 583: trace = 2.393039432793716 (2.71126e-10% change) large trace change predicted (5.44685e-10%) linmin: converged after 2 iterations. iteration 584: trace = 2.393039432780685 (5.44571e-10% change) linmin: converged after 9 iterations. iteration 585: trace = 2.393039432773195 (3.12973e-10% change) linmin: converged after 3 iterations. iteration 586: trace = 2.393039432762138 (4.62064e-10% change) linmin: converged after 2 iterations. iteration 587: trace = 2.393039432742628 (8.15251e-10% change) linmin: converged after 2 iterations. iteration 588: trace = 2.393039432734777 (3.28097e-10% change) large trace change predicted (1.41391e-09%) linmin: converged after 6 iterations. iteration 589: trace = 2.393039432700941 (1.41392e-09% change) linmin: converged after 4 iterations. iteration 590: trace = 2.393039432674914 (1.08764e-09% change) linmin: converged after 4 iterations. iteration 591: trace = 2.39303943265161 (9.73788e-10% change) linmin: converged after 4 iterations. iteration 592: trace = 2.393039432614045 (1.5698e-09% change) linmin: converged after 4 iterations. iteration 593: trace = 2.393039432599276 (6.17131e-10% change) large trace change predicted (1.75499e-09%) linmin: converged after 9 iterations. iteration 594: trace = 2.393039432557276 (1.75512e-09% change) linmin: converged after 6 iterations. iteration 595: trace = 2.393039432545948 (4.73366e-10% change) large trace change predicted (1.15899e-09%) linmin: converged after 5 iterations. iteration 596: trace = 2.39303943251821 (1.15912e-09% change) linmin: converged after 2 iterations. iteration 597: trace = 2.393039432491335 (1.12303e-09% change) linmin: converged after 4 iterations. iteration 598: trace = 2.393039432480397 (4.57091e-10% change) large trace change predicted (1.52391e-09%) linmin: converged after 3 iterations. iteration 599: trace = 2.393039432443929 (1.52389e-09% change) linmin: converged after 13 iterations. iteration 600: trace = 2.393039432430085 (5.7855e-10% change) linmin: converged after 4 iterations. iteration 601: trace = 2.393039432414344 (6.57753e-10% change) linmin: converged after 3 iterations. iteration 602: trace = 2.393039432405177 (3.83065e-10% change) linmin: converged after 7 iterations. iteration 603: trace = 2.393039432401144 (1.6854e-10% change) linmin: converged after 10 iterations. iteration 604: trace = 2.393039432394298 (2.86083e-10% change) linmin: converged after 11 iterations. iteration 605: trace = 2.393039432388366 (2.47892e-10% change) linmin: converged after 2 iterations. iteration 606: trace = 2.393039432383648 (1.97155e-10% change) large trace change predicted (4.78428e-10%) linmin: converged after 6 iterations. iteration 607: trace = 2.393039432372197 (4.78525e-10% change) linmin: converged after 3 iterations. iteration 608: trace = 2.39303943236669 (2.30095e-10% change) large trace change predicted (5.68749e-10%) linmin: converged after 9 iterations. iteration 609: trace = 2.393039432353077 (5.68881e-10% change) large trace change predicted (1.18412e-09%) linmin: converged after 3 iterations. iteration 610: trace = 2.393039432324741 (1.18408e-09% change) linmin: converged after 4 iterations. iteration 611: trace = 2.393039432312935 (4.93371e-10% change) large trace change predicted (1.76798e-09%) linmin: converged after 4 iterations. iteration 612: trace = 2.393039432270628 (1.76792e-09% change) linmin: converged after 5 iterations. iteration 613: trace = 2.393039432244956 (1.07276e-09% change) linmin: converged after 2 iterations. iteration 614: trace = 2.393039432203985 (1.7121e-09% change) linmin: converged after 3 iterations. iteration 615: trace = 2.39303943218117 (9.53375e-10% change) linmin: converged after 3 iterations. iteration 616: trace = 2.393039432169938 (4.69376e-10% change) linmin: converged after 3 iterations. iteration 617: trace = 2.393039432158995 (4.57276e-10% change) linmin: converged after 10 iterations. iteration 618: trace = 2.393039432154797 (1.75443e-10% change) linmin: converged after 5 iterations. iteration 619: trace = 2.393039432148036 (2.8252e-10% change) linmin: converged after 4 iterations. iteration 620: trace = 2.393039432136146 (4.96841e-10% change) linmin: converged after 4 iterations. iteration 621: trace = 2.39303943213301 (1.31053e-10% change) large trace change predicted (5.35513e-10%) linmin: converged after 3 iterations. iteration 622: trace = 2.393039432120193 (5.35589e-10% change) linmin: converged after 4 iterations. iteration 623: trace = 2.393039432113679 (2.72239e-10% change) linmin: converged after 8 iterations. iteration 624: trace = 2.393039432106066 (3.18095e-10% change) linmin: converged after 5 iterations. iteration 625: trace = 2.393039432098135 (3.31456e-10% change) linmin: converged after 11 iterations. iteration 626: trace = 2.393039432094206 (1.6416e-10% change) large trace change predicted (1.14851e-09%) linmin: converged after 2 iterations. iteration 627: trace = 2.393039432066721 (1.14856e-09% change) linmin: converged after 4 iterations. iteration 628: trace = 2.393039432054615 (5.0586e-10% change) large trace change predicted (1.49987e-09%) linmin: converged after 2 iterations. iteration 629: trace = 2.393039432018724 (1.49982e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.393039431999159 (8.17552e-10% change) linmin: converged after 4 iterations. iteration 631: trace = 2.393039431990648 (3.55692e-10% change) large trace change predicted (9.79319e-10%) linmin: converged after 4 iterations. iteration 632: trace = 2.393039431967213 (9.79281e-10% change) linmin: converged after 4 iterations. iteration 633: trace = 2.393039431960509 (2.80126e-10% change) linmin: converged after 3 iterations. iteration 634: trace = 2.393039431950895 (4.01752e-10% change) linmin: converged after 3 iterations. iteration 635: trace = 2.393039431943192 (3.21918e-10% change) linmin: converged after 3 iterations. iteration 636: trace = 2.393039431940059 (1.30923e-10% change) large trace change predicted (2.92515e-10%) linmin: converged after 3 iterations. iteration 637: trace = 2.39303943193306 (2.92448e-10% change) linmin: converged after 6 iterations. iteration 638: trace = 2.393039431927997 (2.11574e-10% change) linmin: converged after 6 iterations. iteration 639: trace = 2.39303943192271 (2.20927e-10% change) linmin: converged after 4 iterations. iteration 640: trace = 2.393039431914639 (3.37283e-10% change) linmin: converged after 4 iterations. iteration 641: trace = 2.393039431913088 (6.48029e-11% change) Finished solving for bands 2 to 10 after 641 iterations. tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 .elapsed time for k point: 10.181286334991455 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2156485263339956 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.2658849785678317 at Vector3<0.0, 0.0, 0.0> to 0.3546302405484167 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.35621423559129134 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517839886 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.36899013666801306 at Vector3<0.0, 0.0, 0.0> to 0.48074846784433395 at Vector3<0.5, 0.5, 0.0> Band 5 range: 0.4779014824358745 at Vector3<0.5, 0.0, 0.0> to 0.5073352894296067 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.5065518587497806 at Vector3<0.0, 0.0, 0.0> to 0.5125343692392687 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.5090758744004433 at Vector3<0.5, 0.0, 0.0> to 0.6079200818300042 at Vector3<0.5, 0.5, 0.0> Band 8 range: 0.6150518764785363 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.63568078470799 at Vector3<0.0, 0.0, 0.0> Band 9 range: 0.6397097609337264 at Vector3<0.5, 0.0, 0.0> to 0.6489078359746278 at Vector3<0.5, 0.5, 0.0> Band 10 range: 0.6468898907439936 at Vector3<0.5, 0.0, 0.0> to 0.6600163340857906 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2156485263339956) to band 2 (0.2658849785678317), 20.86519493345664% Gap from band 2 (0.3546302405484167) to band 3 (0.35621423559129134), 0.4456657105859925% Gap from band 3 (0.36527833517839886) to band 4 (0.36899013666801306), 1.0110202553789074% Gap from band 7 (0.6079200818300042) to band 8 (0.6150518764785363), 1.1663055068565722% Gap from band 8 (0.63568078470799) to band 9 (0.6397097609337264), 0.6318027430114279% total elapsed time for run: 164.52966284751892 done /tmp/meepuUBjUW/test_hermitian_eps-0: 164.53s /tmp/meepuUBjUW/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 64. Solving for 9 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 4) Cell volume = 3.4641 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 0.25) Geometric objects: block, center = (0,0,1) size (1e+20,1e+20,2) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,1e+20,0.5) axes (1,0,0), (0,1,0), (0,0,1) cylinder, center = (0,0,0) radius 0.3, height 4, axis (0, 0, 1) Geometric object tree has depth 3 and 41 object nodes (vs. 3 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> elapsed time for initialization: 0.2833409309387207 solve_kpoint (-0.333333,0.333333,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9 Solving for bands 1 to 9... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 20.14068801126488 (196.16% change) linmin: converged after 13 iterations. iteration 2: trace = 3.299137341812085 (143.7% change) linmin: converged after 5 iterations. iteration 3: trace = 2.669410204363155 (21.1015% change) linmin: converged after 6 iterations. iteration 4: trace = 2.40241249385957 (10.5287% change) linmin: converged after 5 iterations. iteration 5: trace = 2.282088343951399 (5.13712% change) linmin: converged after 5 iterations. iteration 6: trace = 2.228076475135598 (2.39512% change) linmin: converged after 7 iterations. iteration 7: trace = 2.207088432445513 (0.946438% change) linmin: converged after 4 iterations. iteration 8: trace = 2.197424295920371 (0.438829% change) linmin: converged after 4 iterations. iteration 9: trace = 2.193156579988943 (0.194403% change) linmin: converged after 5 iterations. iteration 10: trace = 2.19061263941641 (0.116062% change) linmin: converged after 5 iterations. iteration 11: trace = 2.189324950475648 (0.0587994% change) linmin: converged after 4 iterations. iteration 12: trace = 2.188582973206251 (0.0338964% change) linmin: converged after 4 iterations. iteration 13: trace = 2.188220751661914 (0.0165519% change) linmin: converged after 4 iterations. iteration 14: trace = 2.188067093603424 (0.0070223% change) linmin: converged after 4 iterations. iteration 15: trace = 2.188000083848798 (0.00306256% change) linmin: converged after 4 iterations. iteration 16: trace = 2.187974779563759 (0.00115651% change) linmin: converged after 4 iterations. iteration 17: trace = 2.187966030722257 (0.000399861% change) linmin: converged after 4 iterations. iteration 18: trace = 2.187961616111335 (0.000201768% change) linmin: converged after 5 iterations. iteration 19: trace = 2.187959777341824 (8.40403e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 2.187958886064244 (4.07356e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 2.187958549134365 (1.53993e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 2.187958302488668 (1.12729e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 2.187958133390967 (7.72856e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 2.187958074545629 (2.68951e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 2.187958069786985 (2.17492e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 2.187958069734506 (2.39855e-09% change) linmin: converged after 7 iterations. iteration 27: trace = 2.187958069720248 (6.51655e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 2.187958069713324 (3.1647e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 2.18795806970928 (1.84804e-10% change) linmin: converged after 14 iterations. iteration 30: trace = 2.187958069706368 (1.33087e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 2.187958069704355 (9.20265e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 elapsed time for k point: 29.83303475379944 total elapsed time for run: 30.116463899612427 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 FOutputting fields to /tmp/meepuUBjUW/test_hole_slab-0-h.k01.b09.z.zeven.h5... eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0 mean flops per iteration = 232048195.5483871 mean time per iteration = 0.9714988354713686 s /tmp/meepuUBjUW/test_hole_slab-0: 30.15s /tmp/meepuUBjUW/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015494823455810547 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 14.08603322828974 (195.946% change) linmin: converged after 8 iterations. iteration 2: trace = 4.946841082550758 (96.0359% change) linmin: converged after 6 iterations. iteration 3: trace = 4.482417469982445 (9.85069% change) linmin: converged after 5 iterations. iteration 4: trace = 4.426179454909694 (1.26256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.404732774789124 (0.485718% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393592673653451 (0.253232% change) linmin: converged after 5 iterations. iteration 7: trace = 4.388048069558351 (0.126277% change) linmin: converged after 5 iterations. iteration 8: trace = 4.386014285277234 (0.046359% change) linmin: converged after 4 iterations. iteration 9: trace = 4.385327350069832 (0.0156632% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385030799696019 (0.00676256% change) linmin: converged after 9 iterations. iteration 11: trace = 4.384928986166413 (0.00232187% change) linmin: converged after 3 iterations. iteration 12: trace = 4.384903198779061 (0.000588093% change) linmin: converged after 5 iterations. iteration 13: trace = 4.384897579818996 (0.000128143% change) linmin: converged after 3 iterations. iteration 14: trace = 4.384896578810423 (2.28286e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.384896296355217 (6.44155e-06% change) linmin: converged after 17 iterations. iteration 16: trace = 4.384896163448913 (3.031e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.384896108996883 (1.24181e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.384896055181308 (1.22729e-06% change) linmin: converged after 9 iterations. iteration 19: trace = 4.384895970966356 (1.92057e-06% change) linmin: converged after 7 iterations. iteration 20: trace = 4.384895907261345 (1.45283e-06% change) large trace change predicted (4.57064e-06%) linmin: converged after 6 iterations. iteration 21: trace = 4.3848957068431 (4.57065e-06% change) large trace change predicted (5.41039e-05%) linmin: converged after 4 iterations. iteration 22: trace = 4.384893338182164 (5.40187e-05% change) large trace change predicted (0.000283054%) linmin: converged after 9 iterations. iteration 23: trace = 4.384881228353985 (0.000276172% change) linmin: converged after 9 iterations. iteration 24: trace = 4.384874398294823 (0.000155764% change) linmin: converged after 6 iterations. iteration 25: trace = 4.384872500513711 (4.32802e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.384871395471816 (2.52012e-05% change) linmin: converged after 9 iterations. iteration 27: trace = 4.384870693946444 (1.59988e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.384870461991072 (5.2899e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 4.384870388776773 (1.6697e-06% change) linmin: converged after 8 iterations. iteration 30: trace = 4.384870368925833 (4.52714e-07% change) linmin: converged after 10 iterations. iteration 31: trace = 4.384870362403318 (1.4875e-07% change) linmin: converged after 6 iterations. iteration 32: trace = 4.384870359727655 (6.10204e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 4.384870359219449 (1.159e-08% change) linmin: converged after 18 iterations. iteration 34: trace = 4.384870359145734 (1.68113e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 4.384870359129951 (3.59941e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 4.384870359120915 (2.0608e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 4.38487035911561 (1.20966e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 4.384870359114471 (2.59878e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.18919968605041504 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.398721940930018 (0.785796% change) linmin: converged after 4 iterations. iteration 2: trace = 4.393117316903974 (0.127496% change) linmin: converged after 5 iterations. iteration 3: trace = 4.389343308629444 (0.0859442% change) linmin: converged after 3 iterations. iteration 4: trace = 4.386788236161571 (0.0582278% change) linmin: converged after 5 iterations. iteration 5: trace = 4.383878568871475 (0.06635% change) large trace change predicted (0.244095%) linmin: converged after 5 iterations. iteration 6: trace = 4.374047466163459 (0.224508% change) linmin: converged after 8 iterations. iteration 7: trace = 4.368118485130831 (0.135641% change) linmin: converged after 7 iterations. iteration 8: trace = 4.366002618092194 (0.0484506% change) linmin: converged after 4 iterations. iteration 9: trace = 4.36474279607383 (0.0288594% change) linmin: converged after 4 iterations. iteration 10: trace = 4.364161250576655 (0.0133246% change) linmin: converged after 3 iterations. iteration 11: trace = 4.363987460053582 (0.0039823% change) linmin: converged after 4 iterations. iteration 12: trace = 4.363951770436642 (0.000817825% change) linmin: converged after 8 iterations. iteration 13: trace = 4.363938583509695 (0.000302179% change) linmin: converged after 8 iterations. iteration 14: trace = 4.363930081725975 (0.000194819% change) linmin: converged after 4 iterations. iteration 15: trace = 4.363920378371304 (0.000222354% change) linmin: converged after 5 iterations. iteration 16: trace = 4.363910621596412 (0.000223578% change) linmin: converged after 6 iterations. iteration 17: trace = 4.363903924428309 (0.000153467% change) linmin: converged after 5 iterations. iteration 18: trace = 4.363900915380417 (6.89531e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 4.363900331095293 (1.33891e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 4.363900186219114 (3.31988e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 4.363900088964026 (2.22863e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 4.363900060699542 (6.47689e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 4.36390005530451 (1.23629e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 4.363900051912937 (7.77188e-08% change) linmin: converged after 22 iterations. iteration 25: trace = 4.363900047515015 (1.0078e-07% change) linmin: converged after 10 iterations. iteration 26: trace = 4.363900042904682 (1.05647e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 4.36390004038918 (5.76434e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.36390003927038 (2.56376e-08% change) linmin: converged after 9 iterations. iteration 29: trace = 4.363900038955538 (7.21468e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.363900038873569 (1.87834e-09% change) linmin: converged after 26 iterations. iteration 31: trace = 4.363900038847108 (6.06373e-10% change) linmin: converged after 19 iterations. iteration 32: trace = 4.363900038835858 (2.57789e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.36390003883082 (1.15462e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.363900038828961 (4.25985e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 elapsed time for k point: 0.14244914054870605 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.337244337609678 (0.916306% change) linmin: converged after 5 iterations. iteration 2: trace = 4.328998104322993 (0.190307% change) linmin: converged after 5 iterations. iteration 3: trace = 4.32639370164097 (0.0601799% change) linmin: converged after 4 iterations. iteration 4: trace = 4.326044500292335 (0.00807174% change) linmin: converged after 4 iterations. iteration 5: trace = 4.326009019266948 (0.000820176% change) linmin: converged after 5 iterations. iteration 6: trace = 4.325999490809005 (0.00022026% change) linmin: converged after 6 iterations. iteration 7: trace = 4.325995296299609 (9.69605e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.325994594651871 (1.62193e-05% change) linmin: converged after 21 iterations. iteration 9: trace = 4.325994488077121 (2.46359e-06% change) linmin: converged after 15 iterations. iteration 10: trace = 4.325994468151046 (4.60613e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.325994462562192 (1.29192e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.325994459723793 (6.56126e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.32599445837473 (3.1185e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.325994457749017 (1.4464e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.325994457604776 (3.33429e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.325994457594259 (2.4311e-10% change) linmin: converged after 15 iterations. iteration 17: trace = 4.325994457593159 (2.54382e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 elapsed time for k point: 0.05763697624206543 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.306001070929652 (0.788082% change) linmin: converged after 5 iterations. iteration 2: trace = 4.300360847934489 (0.131071% change) linmin: converged after 5 iterations. iteration 3: trace = 4.298518538322207 (0.04285% change) linmin: converged after 4 iterations. iteration 4: trace = 4.298157359198859 (0.00840276% change) linmin: converged after 4 iterations. iteration 5: trace = 4.29810142377206 (0.00130139% change) linmin: converged after 5 iterations. iteration 6: trace = 4.298085059916545 (0.000380724% change) linmin: converged after 2 iterations. iteration 7: trace = 4.298081361323795 (8.60521e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.298081030130989 (7.7056e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.298080990199845 (9.29046e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.298080980492031 (2.25864e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.298080977563763 (6.81297e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.298080976767695 (1.85215e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.298080976493845 (6.37143e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.298080976439338 (1.26818e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.298080976434354 (1.15949e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.298080976434065 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 elapsed time for k point: 0.05540108680725098 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295193771997795 (0.757652% change) linmin: converged after 5 iterations. iteration 2: trace = 4.289005422997731 (0.14418% change) linmin: converged after 5 iterations. iteration 3: trace = 4.286655525617624 (0.0548039% change) linmin: converged after 4 iterations. iteration 4: trace = 4.286149536707246 (0.0118045% change) linmin: converged after 4 iterations. iteration 5: trace = 4.286096391657205 (0.00123993% change) linmin: converged after 6 iterations. iteration 6: trace = 4.286089079043695 (0.000170613% change) linmin: converged after 4 iterations. iteration 7: trace = 4.286087354619918 (4.0233e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.286087144657689 (4.89869e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.286087124718897 (4.65198e-07% change) linmin: converged after 13 iterations. iteration 10: trace = 4.286087122345822 (5.53669e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.286087121648089 (1.6279e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.286087121456529 (4.46936e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.286087121427353 (6.80709e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.286087121422131 (1.21827e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 4.286087121421341 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 elapsed time for k point: 0.09911227226257324 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295769793792948 (0.789547% change) linmin: converged after 5 iterations. iteration 2: trace = 4.28778519878741 (0.186044% change) linmin: converged after 5 iterations. iteration 3: trace = 4.284595510942272 (0.0744178% change) linmin: converged after 4 iterations. iteration 4: trace = 4.28394415962977 (0.0152033% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283890904445597 (0.00124314% change) linmin: converged after 3 iterations. iteration 6: trace = 4.283887176226487 (8.70288e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.283886858681741 (7.41254e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.283886826915921 (7.41519e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28388682147316 (1.27052e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283886820456615 (2.37295e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283886820322503 (3.1306e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283886820305652 (3.93367e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.283886820302828 (6.59102e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 elapsed time for k point: 0.046295166015625 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.289328030396198 (0.255282% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28802476019065 (0.0303886% change) linmin: converged after 4 iterations. iteration 3: trace = 4.287906729392985 (0.00275261% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28789198256394 (0.000343917% change) linmin: converged after 5 iterations. iteration 5: trace = 4.287890045876974 (4.51664e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.287889552037952 (1.15171e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.287889502750222 (1.14946e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.28788950034711 (5.60442e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.287889500025852 (7.49223e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.287889499903877 (2.84463e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.287889499875894 (6.52604e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.287889499871681 (9.82656e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 elapsed time for k point: 0.04331326484680176 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.30135680349205 (0.254655% change) linmin: converged after 4 iterations. iteration 2: trace = 4.300043563537508 (0.0305355% change) linmin: converged after 14 iterations. iteration 3: trace = 4.299922855277374 (0.00280718% change) linmin: converged after 5 iterations. iteration 4: trace = 4.299907791777737 (0.000350321% change) linmin: converged after 5 iterations. iteration 5: trace = 4.299905439718406 (5.47002e-05% change) linmin: converged after 5 iterations. iteration 6: trace = 4.299904830345856 (1.41718e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.299904776860712 (1.24387e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.29990477259056 (9.93081e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.299904771447066 (2.65935e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.299904771054305 (9.13419e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.299904770962037 (2.1458e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.29990477094445 (4.09005e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.299904770939916 (1.05448e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.29990477093923 (1.59463e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 elapsed time for k point: 0.04948616027832031 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.321382841090537 (0.254327% change) linmin: converged after 4 iterations. iteration 2: trace = 4.320030166755696 (0.0313068% change) linmin: converged after 4 iterations. iteration 3: trace = 4.319900410607536 (0.00300364% change) linmin: converged after 5 iterations. iteration 4: trace = 4.319883445006697 (0.000392732% change) linmin: converged after 4 iterations. iteration 5: trace = 4.319880164551647 (7.59385e-05% change) linmin: converged after 7 iterations. iteration 6: trace = 4.319879323285329 (1.94743e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.319879250560541 (1.68349e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.319879235729276 (3.43326e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.319879227958102 (1.79893e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.319879225421853 (5.87111e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.319879224813201 (1.40896e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.319879224663673 (3.4614e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.31987922462695 (8.50085e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.319879224622897 (9.3837e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 elapsed time for k point: 0.04848337173461914 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.349129535370816 (0.255944% change) linmin: converged after 4 iterations. iteration 2: trace = 4.347666951089962 (0.033635% change) linmin: converged after 4 iterations. iteration 3: trace = 4.347512401085769 (0.00355484% change) linmin: converged after 4 iterations. iteration 4: trace = 4.347489679971983 (0.000522625% change) linmin: converged after 5 iterations. iteration 5: trace = 4.347484415105871 (0.000121101% change) linmin: converged after 4 iterations. iteration 6: trace = 4.347482964576337 (3.33648e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.347482711409491 (5.8233e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.347482493192526 (5.01939e-06% change) linmin: converged after 12 iterations. iteration 9: trace = 4.347482344420546 (3.42203e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.347482298963948 (1.04558e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.347482289718709 (2.12657e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.347482287039397 (6.1629e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.347482286360999 (1.56044e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.347482286300156 (1.3995e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.347482286295715 (1.02149e-10% change) linmin: converged after 5 iterations. iteration 16: trace = 4.3474822862955 (4.94399e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 elapsed time for k point: 0.055924415588378906 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.383709611536421 (0.261984% change) linmin: converged after 5 iterations. iteration 2: trace = 4.382001036495846 (0.0389831% change) linmin: converged after 5 iterations. iteration 3: trace = 4.381788780260462 (0.00484394% change) linmin: converged after 4 iterations. iteration 4: trace = 4.381750715857315 (0.000868699% change) linmin: converged after 5 iterations. iteration 5: trace = 4.381738092896315 (0.000288081% change) linmin: converged after 6 iterations. iteration 6: trace = 4.381730455726061 (0.000174296% change) linmin: converged after 3 iterations. iteration 7: trace = 4.381717816255641 (0.000288459% change) large trace change predicted (0.00139713%) linmin: converged after 4 iterations. iteration 8: trace = 4.381656919176987 (0.00138981% change) large trace change predicted (0.0051514%) linmin: converged after 5 iterations. iteration 9: trace = 4.381441330733306 (0.00492037% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381282131279325 (0.00363356% change) linmin: converged after 4 iterations. iteration 11: trace = 4.381241296825334 (0.000932025% change) linmin: converged after 4 iterations. iteration 12: trace = 4.381221871387272 (0.000443378% change) linmin: converged after 3 iterations. iteration 13: trace = 4.381216164335712 (0.000130262% change) linmin: converged after 2 iterations. iteration 14: trace = 4.381215701244823 (1.05699e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.381215670929221 (6.91945e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 4.381215668899547 (4.63267e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 4.38121566842275 (1.08827e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 4.38121566818573 (5.40992e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.381215667875738 (7.07548e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.381215667457712 (9.54132e-09% change) large trace change predicted (2.89871e-08%) linmin: converged after 4 iterations. iteration 21: trace = 4.381215666187726 (2.89871e-08% change) large trace change predicted (1.22559e-07%) linmin: converged after 2 iterations. iteration 22: trace = 4.38121566081816 (1.22559e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.381215657974622 (6.49029e-08% change) linmin: converged after 11 iterations. iteration 24: trace = 4.381215657571819 (9.19387e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 4.381215657498213 (1.68004e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.38121565748099 (3.93123e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.381215657476101 (1.11579e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.381215657475532 (1.29946e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 elapsed time for k point: 0.09776449203491211 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.331786090078049 (0.980962% change) linmin: converged after 5 iterations. iteration 2: trace = 4.325045837959946 (0.155721% change) linmin: converged after 4 iterations. iteration 3: trace = 4.323282384521733 (0.0407814% change) linmin: converged after 4 iterations. iteration 4: trace = 4.322801726673121 (0.0111185% change) linmin: converged after 5 iterations. iteration 5: trace = 4.322744261437419 (0.00132936% change) linmin: converged after 5 iterations. iteration 6: trace = 4.322738562405229 (0.000131838% change) linmin: converged after 5 iterations. iteration 7: trace = 4.322737639096739 (2.13593e-05% change) linmin: converged after 14 iterations. iteration 8: trace = 4.322737373315284 (6.14845e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.322737323966322 (1.14161e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.322737320305619 (8.46848e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.322737319841387 (1.07393e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.32273731950741 (7.72606e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.322737319388514 (2.75048e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.322737319377672 (2.50813e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 4.322737319376866 (1.86358e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 elapsed time for k point: 0.05422258377075195 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.30733259192351 (0.923129% change) linmin: converged after 4 iterations. iteration 2: trace = 4.302220684623329 (0.11875% change) linmin: converged after 4 iterations. iteration 3: trace = 4.301135561283071 (0.0252256% change) linmin: converged after 4 iterations. iteration 4: trace = 4.300888756572574 (0.00573829% change) linmin: converged after 4 iterations. iteration 5: trace = 4.3008568198607 (0.000742564% change) linmin: converged after 7 iterations. iteration 6: trace = 4.300852819316737 (9.30174e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.300851758232528 (2.46715e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.300851520938096 (5.51738e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.300851493117166 (6.4687e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.300851491505008 (3.74846e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.30085149141083 (2.18975e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.300851491406211 (1.07386e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.300851491405948 (6.13341e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 elapsed time for k point: 0.0454251766204834 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.324349374017137 (0.940312% change) linmin: converged after 4 iterations. iteration 2: trace = 4.31885438777056 (0.127152% change) linmin: converged after 4 iterations. iteration 3: trace = 4.317434132378246 (0.0328904% change) linmin: converged after 4 iterations. iteration 4: trace = 4.317148349406809 (0.0066195% change) linmin: converged after 4 iterations. iteration 5: trace = 4.317118057908731 (0.000701658% change) linmin: converged after 5 iterations. iteration 6: trace = 4.317114586099012 (8.04196e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.317113326114097 (2.91858e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.317112957372542 (8.54139e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.31711290354308 (1.24689e-06% change) linmin: converged after 14 iterations. iteration 10: trace = 4.317112897314944 (1.44266e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.317112896825685 (1.1333e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.31711289679096 (8.0436e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.317112896788793 (5.01786e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 elapsed time for k point: 0.04801154136657715 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.370612521887688 (1.0309% change) linmin: converged after 3 iterations. iteration 2: trace = 4.362179672344748 (0.193131% change) linmin: converged after 5 iterations. iteration 3: trace = 4.358935647496757 (0.0743947% change) linmin: converged after 4 iterations. iteration 4: trace = 4.358364216793742 (0.0131103% change) linmin: converged after 4 iterations. iteration 5: trace = 4.358306058549726 (0.00133441% change) linmin: converged after 4 iterations. iteration 6: trace = 4.358298660455427 (0.000169747% change) linmin: converged after 5 iterations. iteration 7: trace = 4.358297720839165 (2.15592e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.358297586070673 (3.09223e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.358297546325382 (9.11945e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.358297522360147 (5.49876e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.358297517194552 (1.18523e-07% change) linmin: converged after 15 iterations. iteration 12: trace = 4.358297516480512 (1.63835e-08% change) linmin: converged after 14 iterations. iteration 13: trace = 4.358297516296371 (4.22506e-09% change) linmin: converged after 8 iterations. iteration 14: trace = 4.358297516225988 (1.61492e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.35829751621598 (2.29651e-10% change) linmin: converged after 14 iterations. iteration 16: trace = 4.358297516212385 (8.24739e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 elapsed time for k point: 0.0561215877532959 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.411986819853022 (1.21496% change) linmin: converged after 5 iterations. iteration 2: trace = 4.395278738318527 (0.379416% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386670154538979 (0.196052% change) linmin: converged after 4 iterations. iteration 4: trace = 4.385375435085717 (0.0295192% change) linmin: converged after 4 iterations. iteration 5: trace = 4.385158037461173 (0.00495745% change) linmin: converged after 5 iterations. iteration 6: trace = 4.385115462211111 (0.000970899% change) linmin: converged after 5 iterations. iteration 7: trace = 4.385101645836655 (0.000315075% change) linmin: converged after 6 iterations. iteration 8: trace = 4.385091804775308 (0.000224421% change) linmin: converged after 6 iterations. iteration 9: trace = 4.385087112979726 (0.000106994% change) linmin: converged after 3 iterations. iteration 10: trace = 4.385086288853222 (1.87938e-05% change) linmin: converged after 18 iterations. iteration 11: trace = 4.385086150105526 (3.16408e-06% change) linmin: converged after 24 iterations. iteration 12: trace = 4.385086139697305 (2.37355e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.385086139058149 (1.45757e-08% change) linmin: converged after 18 iterations. iteration 14: trace = 4.385086138940978 (2.67204e-09% change) large trace change predicted (7.99145e-09%) linmin: converged after 19 iterations. iteration 15: trace = 4.385086138590539 (7.99161e-09% change) large trace change predicted (6.99046e-08%) linmin: converged after 4 iterations. iteration 16: trace = 4.385086135525146 (6.9905e-08% change) large trace change predicted (2.99638e-07%) linmin: converged after 15 iterations. iteration 17: trace = 4.38508612238568 (2.9964e-07% change) large trace change predicted (1.05365e-06%) linmin: converged after 4 iterations. iteration 18: trace = 4.385086076184955 (1.05359e-06% change) near maximum in trace linmin: converged after 11 iterations. iteration 19: trace = 4.385075354205838 (0.00024451% change) linmin: converged after 9 iterations. iteration 20: trace = 4.385074742555071 (1.39485e-05% change) linmin: converged after 7 iterations. iteration 21: trace = 4.385074123016911 (1.41283e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.385073489483645 (1.44475e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.385072830671909 (1.5024e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.385072133156352 (1.59066e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 4.385071381701924 (1.71367e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.38507055881408 (1.87657e-05% change) linmin: converged after 11 iterations. iteration 27: trace = 4.385069644258448 (2.08561e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.385068615201292 (2.34673e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.385067448165703 (2.66139e-05% change) linmin: converged after 12 iterations. iteration 30: trace = 4.385066125006874 (3.01742e-05% change) linmin: converged after 10 iterations. iteration 31: trace = 4.385064645392967 (3.37421e-05% change) linmin: converged after 10 iterations. iteration 32: trace = 4.385063043532337 (3.65299e-05% change) linmin: converged after 7 iterations. iteration 33: trace = 4.385061393686593 (3.76242e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 4.385059785765457 (3.66682e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 4.38505828571092 (3.42083e-05% change) linmin: converged after 10 iterations. iteration 36: trace = 4.385056918715764 (3.11739e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 4.38505568014297 (2.82453e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.385054552447188 (2.57168e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 4.385053515901609 (2.36381e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 4.385052553115354 (2.19561e-05% change) linmin: converged after 10 iterations. iteration 41: trace = 4.385051650230681 (2.05901e-05% change) linmin: converged after 8 iterations. iteration 42: trace = 4.385050796780807 (1.94627e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.385049985135449 (1.85094e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.385049209893258 (1.76792e-05% change) linmin: converged after 6 iterations. iteration 45: trace = 4.385048467337937 (1.69338e-05% change) linmin: converged after 8 iterations. iteration 46: trace = 4.385047754984416 (1.62451e-05% change) linmin: converged after 12 iterations. iteration 47: trace = 4.385047071278264 (1.55918e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 4.385046415093593 (1.49641e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.385045785697033 (1.43532e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 4.385045182665159 (1.3752e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 4.385044605515017 (1.31618e-05% change) linmin: converged after 7 iterations. iteration 52: trace = 4.385044053772608 (1.25824e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.385043526949073 (1.20141e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 4.38504302444603 (1.14595e-05% change) linmin: converged after 7 iterations. iteration 55: trace = 4.385042545584802 (1.09203e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 4.385042089573762 (1.03992e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.385041655577478 (9.8972e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 4.385041242694529 (9.41571e-06% change) linmin: converged after 7 iterations. iteration 59: trace = 4.385040849983951 (8.95569e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 4.385040476484113 (8.51759e-06% change) linmin: converged after 5 iterations. iteration 61: trace = 4.385040121217231 (8.10179e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 4.385039783217611 (7.70802e-06% change) linmin: converged after 5 iterations. iteration 63: trace = 4.385039461533078 (7.33595e-06% change) linmin: converged after 8 iterations. iteration 64: trace = 4.385039155231173 (6.98516e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 4.385038863412921 (6.65486e-06% change) linmin: converged after 5 iterations. iteration 66: trace = 4.385038585211775 (6.34433e-06% change) linmin: converged after 11 iterations. iteration 67: trace = 4.385038319799365 (6.05268e-06% change) linmin: converged after 5 iterations. iteration 68: trace = 4.385038066386834 (5.77903e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 4.385037824224584 (5.52247e-06% change) resetting CG direction... large trace change predicted (0.00313316%) linmin: converged after 4 iterations. iteration 70: trace = 4.384900323834382 (0.00313572% change) linmin: converged after 5 iterations. iteration 71: trace = 4.384884251653409 (0.000366535% change) linmin: converged after 15 iterations. iteration 72: trace = 4.384873438099873 (0.00024661% change) linmin: converged after 4 iterations. iteration 73: trace = 4.384870687921397 (6.27197e-05% change) linmin: converged after 8 iterations. iteration 74: trace = 4.384870449208404 (5.44401e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 4.384870415805898 (7.61767e-07% change) linmin: converged after 6 iterations. iteration 76: trace = 4.38487040111867 (3.34952e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 4.384870393492229 (1.73926e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 4.384870389505634 (9.09171e-08% change) linmin: converged after 17 iterations. iteration 79: trace = 4.384870388333979 (2.67204e-08% change) linmin: converged after 7 iterations. iteration 80: trace = 4.384870388228482 (2.40593e-09% change) linmin: converged after 5 iterations. iteration 81: trace = 4.384870388201534 (6.14553e-10% change) large trace change predicted (3.52788e-09%) linmin: converged after 3 iterations. iteration 82: trace = 4.384870388046835 (3.52803e-09% change) large trace change predicted (3.76309e-08%) linmin: converged after 11 iterations. iteration 83: trace = 4.384870386396763 (3.7631e-08% change) large trace change predicted (1.53218e-07%) linmin: converged after 4 iterations. iteration 84: trace = 4.384870379678431 (1.53216e-07% change) linmin: converged after 12 iterations. iteration 85: trace = 4.384870373496177 (1.40991e-07% change) linmin: converged after 5 iterations. iteration 86: trace = 4.384870369364628 (9.42228e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 4.384870363595912 (1.3156e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 4.384870360433216 (7.21275e-08% change) linmin: converged after 4 iterations. iteration 89: trace = 4.384870359582584 (1.93993e-08% change) linmin: converged after 19 iterations. iteration 90: trace = 4.384870359189021 (8.97547e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 4.384870359114158 (1.7073e-09% change) linmin: converged after 3 iterations. iteration 92: trace = 4.384870359106892 (1.6571e-10% change) linmin: converged after 6 iterations. iteration 93: trace = 4.384870359106214 (1.5455e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.25578832626342773 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354986 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431465 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261712 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6918627724774278 at Vector3<0.0, 0.5, 0.0> to 0.7476220778306566 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7443374497087797 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092521 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.78527869844185 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712554 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.7856577771856614 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014186 at Vector3<0.0, 0.5, 0.0> Band 8 range: 1.0540350508135126 at Vector3<0.0, 0.5, 0.0> to 1.149276938923452 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.3351167660354986) to band 2 (0.3351850759916969), 0.020381849464022318% Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431465), 28.919416524522983% Gap from band 5 (0.7793792212092521) to band 6 (0.78527869844185), 0.7540916335135398% Gap from band 7 (0.9122560439014186) to band 8 (1.0540350508135126), 14.420958045649781% total elapsed time for run: 1.347700595855713 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015206336975097656 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 17.92607897538319 (194.877% change) linmin: converged after 7 iterations. iteration 2: trace = 7.881119914880881 (77.8462% change) linmin: converged after 5 iterations. iteration 3: trace = 6.848510109177969 (14.0209% change) linmin: converged after 7 iterations. iteration 4: trace = 6.588886523633432 (3.86419% change) linmin: converged after 4 iterations. iteration 5: trace = 6.523769424240228 (0.993195% change) linmin: converged after 4 iterations. iteration 6: trace = 6.496465469866148 (0.419408% change) linmin: converged after 5 iterations. iteration 7: trace = 6.483109823717936 (0.205795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.47489345606278 (0.126815% change) linmin: converged after 4 iterations. iteration 9: trace = 6.472166897132243 (0.0421186% change) linmin: converged after 4 iterations. iteration 10: trace = 6.470881088000219 (0.0198687% change) linmin: converged after 4 iterations. iteration 11: trace = 6.470157573753596 (0.0111817% change) linmin: converged after 4 iterations. iteration 12: trace = 6.469608843969674 (0.00848129% change) linmin: converged after 4 iterations. iteration 13: trace = 6.469122408660828 (0.00751906% change) linmin: converged after 5 iterations. iteration 14: trace = 6.468841027070809 (0.0043497% change) linmin: converged after 4 iterations. iteration 15: trace = 6.468666577909485 (0.0026968% change) linmin: converged after 4 iterations. iteration 16: trace = 6.468592519452094 (0.00114489% change) linmin: converged after 5 iterations. iteration 17: trace = 6.468566795431892 (0.000397676% change) linmin: converged after 4 iterations. iteration 18: trace = 6.468554711940077 (0.000186803% change) linmin: converged after 5 iterations. iteration 19: trace = 6.468546490013788 (0.000127106% change) linmin: converged after 5 iterations. iteration 20: trace = 6.468532135358178 (0.000221915% change) large trace change predicted (0.00051345%) linmin: converged after 5 iterations. iteration 21: trace = 6.468498926665532 (0.00051339% change) large trace change predicted (0.00142191%) linmin: converged after 5 iterations. iteration 22: trace = 6.468407161827736 (0.00141865% change) large trace change predicted (0.00515645%) linmin: converged after 4 iterations. iteration 23: trace = 6.468086335224053 (0.00496002% change) large trace change predicted (0.0109938%) linmin: converged after 11 iterations. iteration 24: trace = 6.467419876416453 (0.0103043% change) linmin: converged after 7 iterations. iteration 25: trace = 6.466887403808943 (0.00823349% change) linmin: converged after 5 iterations. iteration 26: trace = 6.46664078986795 (0.00381356% change) linmin: converged after 3 iterations. iteration 27: trace = 6.466547272917 (0.00144615% change) linmin: converged after 8 iterations. iteration 28: trace = 6.466507039001571 (0.000622187% change) linmin: converged after 3 iterations. iteration 29: trace = 6.466489937738228 (0.000264459% change) linmin: converged after 3 iterations. iteration 30: trace = 6.466483473165567 (9.99704e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466478920808034 (7.03993e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466475299913414 (5.59949e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.46647264014508 (4.11317e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.466470979754835 (2.56769e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.466469915055258 (1.64649e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.466469179614521 (1.13731e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.46646875172329 (6.61708e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466468412457695 (5.24654e-06% change) linmin: converged after 6 iterations. iteration 39: trace = 6.466467929858439 (7.4631e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 6.466467100420315 (1.28268e-05% change) large trace change predicted (2.85188e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.466465255870575 (2.85248e-05% change) large trace change predicted (6.2393e-05%) linmin: converged after 6 iterations. iteration 42: trace = 6.466461220016761 (6.24121e-05% change) large trace change predicted (0.000157529%) linmin: converged after 5 iterations. iteration 43: trace = 6.46645103001381 (0.000157582% change) linmin: converged after 8 iterations. iteration 44: trace = 6.466433013341643 (0.000278618% change) linmin: converged after 6 iterations. iteration 45: trace = 6.466416782672162 (0.000250999% change) linmin: converged after 5 iterations. iteration 46: trace = 6.4664094905272 (0.00011277% change) linmin: converged after 5 iterations. iteration 47: trace = 6.466406899774644 (4.00648e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.46640609447639 (1.24536e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 6.466405844610549 (3.86406e-06% change) linmin: converged after 2 iterations. iteration 50: trace = 6.466405769905435 (1.15528e-06% change) linmin: converged after 2 iterations. iteration 51: trace = 6.466405747179933 (3.51439e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 6.466405737995057 (1.4204e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 6.466405731537542 (9.98625e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.466405724918882 (1.02355e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 6.46640571804728 (1.06266e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 6.46640571327516 (7.37987e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.466405709707839 (5.5167e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 6.466405707036908 (4.13047e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.46640570413072 (4.49429e-08% change) linmin: converged after 2 iterations. iteration 60: trace = 6.466405699086192 (7.80113e-08% change) large trace change predicted (1.56029e-07%) linmin: converged after 4 iterations. iteration 61: trace = 6.466405688996683 (1.5603e-07% change) large trace change predicted (3.74427e-07%) linmin: converged after 10 iterations. iteration 62: trace = 6.466405664784492 (3.7443e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 6.466405627488661 (5.76763e-07% change) linmin: converged after 12 iterations. iteration 64: trace = 6.466405586875672 (6.28061e-07% change) linmin: converged after 23 iterations. iteration 65: trace = 6.466405565064147 (3.37305e-07% change) linmin: converged after 6 iterations. iteration 66: trace = 6.4664055559071 (1.4161e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 6.46640555260463 (5.10712e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.466405551334199 (1.96466e-08% change) linmin: converged after 2 iterations. iteration 69: trace = 6.466405550798717 (8.28098e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.466405550641908 (2.42498e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 6.466405550503332 (2.14302e-09% change) linmin: converged after 9 iterations. iteration 72: trace = 6.466405550444732 (9.06212e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 6.466405550414196 (4.72232e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 6.466405550383241 (4.78702e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.466405550351419 (4.92121e-10% change) large trace change predicted (1.03796e-09%) linmin: converged after 4 iterations. iteration 76: trace = 6.466405550284295 (1.03804e-09% change) large trace change predicted (2.15828e-09%) linmin: converged after 3 iterations. iteration 77: trace = 6.466405550144725 (2.15837e-09% change) large trace change predicted (4.86816e-09%) linmin: converged after 2 iterations. iteration 78: trace = 6.466405549829948 (4.86789e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.466405549268318 (8.68535e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.466405548565625 (1.08668e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.466405547892629 (1.04076e-08% change) linmin: converged after 3 iterations. iteration 82: trace = 6.466405547384065 (7.86471e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 6.466405546956302 (6.61517e-09% change) linmin: converged after 12 iterations. iteration 84: trace = 6.466405546505226 (6.97568e-09% change) linmin: converged after 5 iterations. iteration 85: trace = 6.466405546056942 (6.93251e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.466405545724251 (5.14492e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 6.466405545536705 (2.90031e-09% change) linmin: converged after 2 iterations. iteration 88: trace = 6.46640554546141 (1.16439e-09% change) linmin: converged after 3 iterations. iteration 89: trace = 6.466405545440695 (3.20348e-10% change) linmin: converged after 4 iterations. iteration 90: trace = 6.466405545433981 (1.03839e-10% change) linmin: converged after 3 iterations. iteration 91: trace = 6.466405545431611 (3.66457e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 elapsed time for k point: 0.30059242248535156 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.464067053669357 (0.950104% change) linmin: converged after 6 iterations. iteration 2: trace = 6.434765702784639 (0.454326% change) linmin: converged after 4 iterations. iteration 3: trace = 6.415644747700409 (0.297593% change) linmin: converged after 5 iterations. iteration 4: trace = 6.394653603632566 (0.327723% change) linmin: converged after 5 iterations. iteration 5: trace = 6.384220860662882 (0.163281% change) linmin: converged after 4 iterations. iteration 6: trace = 6.377901272319226 (0.0990366% change) linmin: converged after 4 iterations. iteration 7: trace = 6.375261062399932 (0.0414048% change) linmin: converged after 4 iterations. iteration 8: trace = 6.373625086028884 (0.0256646% change) linmin: converged after 4 iterations. iteration 9: trace = 6.372011047626751 (0.0253269% change) linmin: converged after 4 iterations. iteration 10: trace = 6.370462458419555 (0.0243059% change) linmin: converged after 5 iterations. iteration 11: trace = 6.369069011403234 (0.021876% change) linmin: converged after 4 iterations. iteration 12: trace = 6.368402519858785 (0.0104651% change) linmin: converged after 3 iterations. iteration 13: trace = 6.368153913662254 (0.00390382% change) linmin: converged after 3 iterations. iteration 14: trace = 6.368046529099064 (0.00168629% change) linmin: converged after 5 iterations. iteration 15: trace = 6.368001436765208 (0.000708106% change) linmin: converged after 5 iterations. iteration 16: trace = 6.367977391422778 (0.000377597% change) linmin: converged after 4 iterations. iteration 17: trace = 6.367957304381571 (0.000315439% change) linmin: converged after 4 iterations. iteration 18: trace = 6.367940626652769 (0.000261901% change) linmin: converged after 4 iterations. iteration 19: trace = 6.367929610028832 (0.000173002% change) linmin: converged after 5 iterations. iteration 20: trace = 6.367922428078566 (0.000112783% change) linmin: converged after 5 iterations. iteration 21: trace = 6.367918388195516 (6.34412e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 6.367915639597514 (4.31632e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 6.36791367406002 (3.08663e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 6.367912248326844 (2.23893e-05% change) linmin: converged after 16 iterations. iteration 25: trace = 6.367910983142096 (1.98681e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 6.367910002777575 (1.53954e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.36790948337494 (8.15656e-06% change) linmin: converged after 17 iterations. iteration 28: trace = 6.367909240413528 (3.8154e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 6.367909155901631 (1.32715e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.367909122690511 (5.21539e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 6.367909103766926 (2.97171e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 6.367909090577581 (2.07122e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 6.367909079277712 (1.7745e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 6.36790906864871 (1.66915e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 6.367909061036064 (1.19547e-07% change) linmin: converged after 4 iterations. iteration 36: trace = 6.367909056621686 (6.93223e-08% change) linmin: converged after 7 iterations. iteration 37: trace = 6.367909054296987 (3.65065e-08% change) linmin: converged after 25 iterations. iteration 38: trace = 6.367909052624112 (2.62704e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 6.367909051314635 (2.05637e-08% change) linmin: converged after 19 iterations. iteration 40: trace = 6.367909050370923 (1.48198e-08% change) linmin: converged after 12 iterations. iteration 41: trace = 6.367909049791789 (9.09459e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 6.367909049418208 (5.86661e-09% change) linmin: converged after 7 iterations. iteration 43: trace = 6.367909049257634 (2.52162e-09% change) linmin: converged after 15 iterations. iteration 44: trace = 6.367909049201551 (8.80701e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 6.36790904918262 (2.97296e-10% change) linmin: converged after 16 iterations. iteration 46: trace = 6.367909049171294 (1.77861e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 6.36790904915873 (1.97291e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 6.367909049144634 (2.21364e-10% change) linmin: converged after 3 iterations. iteration 49: trace = 6.367909049133674 (1.72115e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 6.367909049127841 (9.15947e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 elapsed time for k point: 0.19112825393676758 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 6.320003260588898 (0.45358% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311018991319353 (0.142257% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308745252010862 (0.0360346% change) linmin: converged after 3 iterations. iteration 4: trace = 6.30786887448632 (0.0138924% change) linmin: converged after 3 iterations. iteration 5: trace = 6.307557660640787 (0.00493386% change) linmin: converged after 3 iterations. iteration 6: trace = 6.307472354505054 (0.00135245% change) linmin: converged after 18 iterations. iteration 7: trace = 6.307433279783377 (0.000619501% change) linmin: converged after 3 iterations. iteration 8: trace = 6.307420189300787 (0.000207541% change) linmin: converged after 3 iterations. iteration 9: trace = 6.307414904205114 (8.37918e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.307412046921455 (4.53004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.307410415159065 (2.58706e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.307409446531607 (1.5357e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.307408968969276 (7.57145e-06% change) linmin: converged after 26 iterations. iteration 14: trace = 6.307408722233328 (3.91184e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.307408593328495 (2.04371e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 6.307408549531673 (6.94371e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.307408534807223 (2.33447e-07% change) linmin: converged after 8 iterations. iteration 18: trace = 6.307408529970343 (7.66857e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 6.307408528488401 (2.34953e-08% change) linmin: converged after 10 iterations. iteration 20: trace = 6.307408528005171 (7.66131e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 6.307408527853786 (2.40011e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 6.307408527794083 (9.46559e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.307408527756509 (5.95704e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 6.307408527736825 (3.12074e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 6.307408527727556 (1.46969e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 6.307408527722558 (7.92367e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 elapsed time for k point: 0.19658160209655762 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.297463613016943 (0.437255% change) linmin: converged after 4 iterations. iteration 2: trace = 6.286946394765085 (0.167147% change) linmin: converged after 3 iterations. iteration 3: trace = 6.284028604057987 (0.0464211% change) linmin: converged after 4 iterations. iteration 4: trace = 6.282826267186057 (0.019135% change) linmin: converged after 3 iterations. iteration 5: trace = 6.282353152588189 (0.00753057% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282211510432963 (0.00225463% change) linmin: converged after 4 iterations. iteration 7: trace = 6.28210807752835 (0.00164645% change) linmin: converged after 4 iterations. iteration 8: trace = 6.282049428305429 (0.000933596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282007604384527 (0.000665771% change) linmin: converged after 4 iterations. iteration 10: trace = 6.28198892944936 (0.000297277% change) linmin: converged after 4 iterations. iteration 11: trace = 6.281981237844897 (0.000122439% change) linmin: converged after 5 iterations. iteration 12: trace = 6.281976759972078 (7.12812e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.281973995724723 (4.40028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 6.2819724946079 (2.38956e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.281971806094752 (1.09601e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.281971630844388 (2.78974e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 6.281971579295186 (8.2059e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.281971566101337 (2.10027e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.281971562304189 (6.04452e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.281971560806635 (2.38389e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.281971560352624 (7.22721e-09% change) linmin: converged after 18 iterations. iteration 22: trace = 6.281971560186316 (2.64738e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 6.281971560120156 (1.05318e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 6.281971560091684 (4.53239e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 6.281971560080303 (1.81157e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 6.281971560075127 (8.23994e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 elapsed time for k point: 0.19997620582580566 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.300840158369326 (0.430756% change) linmin: converged after 4 iterations. iteration 2: trace = 6.289206684355614 (0.184804% change) linmin: converged after 3 iterations. iteration 3: trace = 6.286050269834831 (0.0502004% change) linmin: converged after 4 iterations. iteration 4: trace = 6.284751976800665 (0.0206557% change) linmin: converged after 4 iterations. iteration 5: trace = 6.28407227131049 (0.0108157% change) linmin: converged after 4 iterations. iteration 6: trace = 6.283704056617327 (0.00585966% change) linmin: converged after 7 iterations. iteration 7: trace = 6.2832585270345 (0.00709049% change) linmin: converged after 4 iterations. iteration 8: trace = 6.283014882136316 (0.00387776% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282869782341344 (0.00230942% change) linmin: converged after 4 iterations. iteration 10: trace = 6.282800167351094 (0.00110802% change) linmin: converged after 4 iterations. iteration 11: trace = 6.28274700499586 (0.000846161% change) linmin: converged after 9 iterations. iteration 12: trace = 6.282703557060905 (0.000691546% change) linmin: converged after 5 iterations. iteration 13: trace = 6.282682229334572 (0.000339468% change) linmin: converged after 4 iterations. iteration 14: trace = 6.282675130392991 (0.000112992% change) linmin: converged after 3 iterations. iteration 15: trace = 6.282672608965546 (4.0133e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.282672096548786 (8.15603e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 6.282671912329325 (2.93218e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 6.28267184119006 (1.13231e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 6.282671801233814 (6.35975e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.282671779010525 (3.53724e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.28267177078478 (1.30928e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.282671767753041 (4.82556e-08% change) linmin: converged after 16 iterations. iteration 23: trace = 6.282671766763957 (1.57431e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 6.282671766458821 (4.85679e-09% change) linmin: converged after 13 iterations. iteration 25: trace = 6.282671766336982 (1.93928e-09% change) linmin: converged after 8 iterations. iteration 26: trace = 6.282671766260689 (1.21434e-09% change) linmin: converged after 10 iterations. iteration 27: trace = 6.282671766201561 (9.41125e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 6.282671766155276 (7.36719e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.282671766133061 (3.53593e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 6.282671766123542 (1.51506e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 6.28267176611981 (5.94035e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 elapsed time for k point: 0.2413041591644287 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.32305852451857 (0.41541% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311730025503867 (0.179322% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308426930511856 (0.0523463% change) linmin: converged after 4 iterations. iteration 4: trace = 6.306501212724845 (0.0305308% change) linmin: converged after 4 iterations. iteration 5: trace = 6.304352136232588 (0.034083% change) linmin: converged after 4 iterations. iteration 6: trace = 6.302203468400638 (0.0340881% change) linmin: converged after 5 iterations. iteration 7: trace = 6.299495340678916 (0.0429804% change) linmin: converged after 4 iterations. iteration 8: trace = 6.298130082632392 (0.0216748% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296931272767017 (0.0190362% change) linmin: converged after 4 iterations. iteration 10: trace = 6.295807443255548 (0.0178488% change) linmin: converged after 4 iterations. iteration 11: trace = 6.294899315455991 (0.0144254% change) linmin: converged after 3 iterations. iteration 12: trace = 6.294524809215385 (0.00594954% change) linmin: converged after 3 iterations. iteration 13: trace = 6.294437485924472 (0.0013873% change) linmin: converged after 4 iterations. iteration 14: trace = 6.294418376016299 (0.0003036% change) linmin: converged after 5 iterations. iteration 15: trace = 6.29441118909261 (0.000114179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.294408935263553 (3.58068e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 6.294407437985897 (2.37874e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 6.294406459003853 (1.55532e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 6.294405986379172 (7.50865e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 6.294405825788342 (2.55133e-06% change) linmin: converged after 11 iterations. iteration 21: trace = 6.294405782629283 (6.85673e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 6.294405766447001 (2.5709e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 6.294405751369214 (2.39543e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 6.294405733484961 (2.84129e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 6.294405719045192 (2.29406e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 6.294405712361771 (1.0618e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.294405710179676 (3.46672e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 6.294405708996514 (1.8797e-08% change) linmin: converged after 17 iterations. iteration 29: trace = 6.294405707877621 (1.7776e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 6.294405706286289 (2.52817e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 6.294405704817201 (2.33396e-08% change) linmin: converged after 5 iterations. iteration 32: trace = 6.294405704102932 (1.13477e-08% change) linmin: converged after 17 iterations. iteration 33: trace = 6.29440570376873 (5.30951e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 6.294405703545728 (3.54286e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 6.29440570340198 (2.28373e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 6.294405703320329 (1.2972e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 6.294405703286797 (5.32732e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 6.294405703273481 (2.1156e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 6.294405703268606 (7.7439e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 elapsed time for k point: 0.29107666015625 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.304124176924446 (0.136202% change) linmin: converged after 4 iterations. iteration 2: trace = 6.299143727762917 (0.0790343% change) linmin: converged after 4 iterations. iteration 3: trace = 6.297619114860192 (0.0242064% change) linmin: converged after 4 iterations. iteration 4: trace = 6.296869484147609 (0.0119041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.296579810595722 (0.00460038% change) linmin: converged after 5 iterations. iteration 6: trace = 6.296498469687463 (0.00129184% change) linmin: converged after 4 iterations. iteration 7: trace = 6.29647411415061 (0.000386812% change) linmin: converged after 3 iterations. iteration 8: trace = 6.296468894841439 (8.28926e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 6.296468163009845 (1.16229e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.296467941171192 (3.52322e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 6.29646786532974 (1.20451e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 6.296467833969841 (4.98055e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 6.296467809829995 (3.83387e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 6.296467783022479 (4.25755e-07% change) linmin: converged after 23 iterations. iteration 15: trace = 6.296467750315609 (5.19448e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.296467727879383 (3.5633e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.296467716753019 (1.76708e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.296467707688741 (1.43958e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 6.296467699980609 (1.2242e-07% change) linmin: converged after 27 iterations. iteration 20: trace = 6.296467694261516 (9.08302e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.296467691403795 (4.53861e-08% change) linmin: converged after 18 iterations. iteration 22: trace = 6.296467690402601 (1.59009e-08% change) linmin: converged after 12 iterations. iteration 23: trace = 6.296467690046346 (5.65801e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 6.296467689824289 (3.52669e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.296467689597056 (3.6089e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 6.296467689392047 (3.25593e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 6.296467689305398 (1.37615e-09% change) linmin: converged after 7 iterations. iteration 28: trace = 6.296467689279564 (4.10301e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.296467689270653 (1.41525e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 6.296467689265775 (7.747e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 elapsed time for k point: 0.2375955581665039 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.30975586923275 (0.140741% change) linmin: converged after 5 iterations. iteration 2: trace = 6.304446785318165 (0.0841763% change) linmin: converged after 4 iterations. iteration 3: trace = 6.302898425009155 (0.0245628% change) linmin: converged after 4 iterations. iteration 4: trace = 6.302200209028445 (0.0110783% change) linmin: converged after 4 iterations. iteration 5: trace = 6.301949962624072 (0.00397086% change) linmin: converged after 5 iterations. iteration 6: trace = 6.301878185411298 (0.00113897% change) linmin: converged after 5 iterations. iteration 7: trace = 6.301853710018614 (0.000388383% change) linmin: converged after 2 iterations. iteration 8: trace = 6.30184808726186 (8.92239e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 6.301846911960207 (1.86501e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 6.301846388216834 (8.31095e-06% change) linmin: converged after 16 iterations. iteration 11: trace = 6.301846085007986 (4.81143e-06% change) linmin: converged after 7 iterations. iteration 12: trace = 6.301845888867719 (3.11243e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.301845757622948 (2.08264e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 6.301845698619576 (9.36287e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 6.301845668235452 (4.82146e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 6.301845649790792 (2.92687e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.30184562932028 (3.24834e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.3018456018491 (4.35923e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 6.301845579579587 (3.53381e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.301845567110187 (1.97869e-07% change) linmin: converged after 21 iterations. iteration 21: trace = 6.301845561609795 (8.72822e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 6.301845559125029 (3.94292e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 6.301845557289972 (2.91194e-08% change) linmin: converged after 14 iterations. iteration 24: trace = 6.301845555247243 (3.24148e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.301845553038588 (3.50478e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 6.30184555168397 (2.14956e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 6.301845551182753 (7.95349e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 6.301845550984639 (3.14374e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 6.301845550903849 (1.28201e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 6.301845550857777 (7.31081e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.301845550833526 (3.84835e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 6.301845550825478 (1.27705e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.301845550822882 (4.11966e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 elapsed time for k point: 0.25186848640441895 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317078115565954 (0.146594% change) linmin: converged after 5 iterations. iteration 2: trace = 6.311483197730214 (0.0886074% change) linmin: converged after 4 iterations. iteration 3: trace = 6.310056572930605 (0.0226062% change) linmin: converged after 8 iterations. iteration 4: trace = 6.309473827662909 (0.00923561% change) linmin: converged after 4 iterations. iteration 5: trace = 6.309287208923827 (0.0029578% change) linmin: converged after 4 iterations. iteration 6: trace = 6.3092292265646 (0.000919004% change) linmin: converged after 3 iterations. iteration 7: trace = 6.309202973780172 (0.000416102% change) linmin: converged after 5 iterations. iteration 8: trace = 6.309194406599303 (0.000135789% change) linmin: converged after 3 iterations. iteration 9: trace = 6.309190349198362 (6.43094e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.30918737596305 (4.71255e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.30918556745539 (2.86647e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 6.309184755087376 (1.2876e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.309184446575687 (4.88988e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.3091843520256 (1.49861e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.309184300579695 (8.15413e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.30918425767296 (6.80068e-07% change) linmin: converged after 28 iterations. iteration 17: trace = 6.30918419871607 (9.34461e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 6.309184133927531 (1.02689e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 6.30918409968129 (5.428e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.309184084106096 (2.46865e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.309184076911389 (1.14035e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.309184072438057 (7.09019e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 6.309184068130108 (6.82806e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 6.30918406321269 (7.79406e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.309184056450055 (1.07187e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.309184051362617 (8.06354e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 6.309184048652941 (4.29481e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 6.309184047348843 (2.06698e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 6.309184046823375 (8.32863e-09% change) linmin: converged after 5 iterations. iteration 30: trace = 6.309184046545847 (4.39878e-09% change) linmin: converged after 5 iterations. iteration 31: trace = 6.309184046419697 (1.99948e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 6.309184046373008 (7.40014e-10% change) linmin: converged after 11 iterations. iteration 33: trace = 6.309184046358341 (2.32463e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.309184046353368 (7.88202e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 elapsed time for k point: 0.2547173500061035 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.32572780193767 (0.146427% change) linmin: converged after 5 iterations. iteration 2: trace = 6.320285470991051 (0.0860719% change) linmin: converged after 4 iterations. iteration 3: trace = 6.319074550849309 (0.0191611% change) linmin: converged after 4 iterations. iteration 4: trace = 6.318622553858084 (0.00715315% change) linmin: converged after 4 iterations. iteration 5: trace = 6.318479349131765 (0.00226642% change) linmin: converged after 4 iterations. iteration 6: trace = 6.31842028843446 (0.000934734% change) linmin: converged after 3 iterations. iteration 7: trace = 6.318374042077405 (0.000731932% change) linmin: converged after 7 iterations. iteration 8: trace = 6.318349508622388 (0.000388288% change) linmin: converged after 5 iterations. iteration 9: trace = 6.318335411525507 (0.000223114% change) linmin: converged after 5 iterations. iteration 10: trace = 6.318328246609449 (0.000113399% change) linmin: converged after 5 iterations. iteration 11: trace = 6.31832558476924 (4.21289e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.318324523262488 (1.68004e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.318324118772354 (6.40186e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.318323928381334 (3.01332e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.318323717793441 (3.33297e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 6.318323450132179 (4.23627e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 6.318323137017827 (4.95566e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.318322959162462 (2.81491e-06% change) linmin: converged after 22 iterations. iteration 19: trace = 6.318322903495078 (8.81047e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 6.318322888313309 (2.40282e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 6.318322883797162 (7.1477e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.318322882181396 (2.55727e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.31832288139463 (1.24521e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.318322880964165 (6.81297e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.318322880605027 (5.68407e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 6.3183228802096 (6.25843e-09% change) linmin: converged after 30 iterations. iteration 27: trace = 6.318322879598529 (9.6714e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 6.318322878497079 (1.74326e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 6.318322877602431 (1.41596e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 6.318322877083818 (8.20808e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.318322876807065 (4.38018e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 6.318322876668269 (2.19672e-09% change) linmin: converged after 10 iterations. iteration 33: trace = 6.318322876613934 (8.59962e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.318322876598199 (2.49037e-10% change) linmin: converged after 6 iterations. iteration 35: trace = 6.318322876593966 (6.69966e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 elapsed time for k point: 0.2705559730529785 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.337373568352012 (0.139364% change) linmin: converged after 4 iterations. iteration 2: trace = 6.332424094185279 (0.0781303% change) linmin: converged after 4 iterations. iteration 3: trace = 6.331354309828022 (0.0168952% change) linmin: converged after 4 iterations. iteration 4: trace = 6.330940591280346 (0.00653465% change) linmin: converged after 4 iterations. iteration 5: trace = 6.330763210202731 (0.00280185% change) linmin: converged after 5 iterations. iteration 6: trace = 6.330643969808116 (0.00188353% change) linmin: converged after 16 iterations. iteration 7: trace = 6.330526348142682 (0.00185799% change) linmin: converged after 17 iterations. iteration 8: trace = 6.330475545201162 (0.000802511% change) linmin: converged after 5 iterations. iteration 9: trace = 6.330456130107853 (0.000306693% change) linmin: converged after 4 iterations. iteration 10: trace = 6.330448155868348 (0.000125966% change) linmin: converged after 3 iterations. iteration 11: trace = 6.330444917505769 (5.11554e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 6.330441968361909 (4.65867e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.330438826387945 (4.96328e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 6.330433859958823 (7.84532e-05% change) large trace change predicted (0.000173114%) linmin: converged after 4 iterations. iteration 15: trace = 6.330422902016024 (0.0001731% change) linmin: converged after 4 iterations. iteration 16: trace = 6.330408494653135 (0.00022759% change) linmin: converged after 5 iterations. iteration 17: trace = 6.330393091584735 (0.000243319% change) linmin: converged after 5 iterations. iteration 18: trace = 6.330384367767492 (0.000137809% change) linmin: converged after 7 iterations. iteration 19: trace = 6.330379302030503 (8.00226e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 6.330373672659224 (8.89263e-05% change) large trace change predicted (0.000227718%) linmin: converged after 5 iterations. iteration 21: trace = 6.33035925724891 (0.000227718% change) large trace change predicted (0.000970824%) linmin: converged after 4 iterations. iteration 22: trace = 6.330298260639156 (0.000963561% change) large trace change predicted (0.00347969%) linmin: converged after 6 iterations. iteration 23: trace = 6.330100731410994 (0.00312043% change) linmin: converged after 4 iterations. iteration 24: trace = 6.329824561188028 (0.0043629% change) linmin: converged after 5 iterations. iteration 25: trace = 6.329581572606542 (0.00383886% change) linmin: converged after 5 iterations. iteration 26: trace = 6.329442198108147 (0.00220198% change) linmin: converged after 4 iterations. iteration 27: trace = 6.329368644701107 (0.00116209% change) linmin: converged after 4 iterations. iteration 28: trace = 6.329332395258531 (0.00057272% change) linmin: converged after 3 iterations. iteration 29: trace = 6.32932199067881 (0.000164387% change) linmin: converged after 3 iterations. iteration 30: trace = 6.329319097534167 (4.57102e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.329318299781549 (1.26041e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.329317993705504 (4.83585e-06% change) linmin: converged after 22 iterations. iteration 33: trace = 6.329317822762581 (2.70081e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 6.329317711511705 (1.75771e-06% change) linmin: converged after 2 iterations. iteration 35: trace = 6.329317634102344 (1.22303e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 6.329317560447074 (1.16372e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 6.329317473969666 (1.3663e-06% change) linmin: converged after 17 iterations. iteration 38: trace = 6.329317376070318 (1.54676e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.329317304082064 (1.13738e-06% change) linmin: converged after 2 iterations. iteration 40: trace = 6.329317262529589 (6.56508e-07% change) linmin: converged after 21 iterations. iteration 41: trace = 6.329317230455207 (5.06759e-07% change) linmin: converged after 8 iterations. iteration 42: trace = 6.329317195172118 (5.57455e-07% change) linmin: converged after 7 iterations. iteration 43: trace = 6.329317162831521 (5.10965e-07% change) linmin: converged after 9 iterations. iteration 44: trace = 6.329317144688077 (2.86657e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 6.329317134236727 (1.65126e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.32931712562798 (1.36014e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 6.329317115427865 (1.61157e-07% change) linmin: converged after 6 iterations. iteration 48: trace = 6.329317101087421 (2.26572e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 6.329317075124321 (4.10204e-07% change) large trace change predicted (8.61034e-07%) linmin: converged after 8 iterations. iteration 50: trace = 6.329317020625254 (8.61058e-07% change) large trace change predicted (2.13468e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.329316885504944 (2.13483e-06% change) large trace change predicted (4.29494e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.329316613618884 (4.29566e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 6.329316332917143 (4.43495e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.329316191094067 (2.24073e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.329316143739841 (7.48173e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 6.329316126937146 (2.65474e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 6.329316120029702 (1.09134e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.329316116866351 (4.99794e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.32931611541861 (2.28736e-08% change) linmin: converged after 4 iterations. iteration 60: trace = 6.3293161147542 (1.04973e-08% change) linmin: converged after 2 iterations. iteration 61: trace = 6.329316114257213 (7.85215e-09% change) linmin: converged after 12 iterations. iteration 62: trace = 6.329316113577727 (1.07355e-08% change) linmin: converged after 3 iterations. iteration 63: trace = 6.329316112502813 (1.69831e-08% change) linmin: converged after 6 iterations. iteration 64: trace = 6.329316111378638 (1.77614e-08% change) linmin: converged after 21 iterations. iteration 65: trace = 6.329316110808146 (9.01349e-09% change) linmin: converged after 9 iterations. iteration 66: trace = 6.32931611061163 (3.10486e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.329316110525236 (1.36498e-09% change) linmin: converged after 4 iterations. iteration 68: trace = 6.329316110484315 (6.46532e-10% change) linmin: converged after 4 iterations. iteration 69: trace = 6.329316110466078 (2.88135e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.32931611045862 (1.17819e-10% change) linmin: converged after 11 iterations. iteration 71: trace = 6.329316110451563 (1.11504e-10% change) linmin: converged after 6 iterations. iteration 72: trace = 6.329316110445914 (8.92484e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 elapsed time for k point: 0.5451347827911377 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.392697535565415 (0.520011% change) linmin: converged after 5 iterations. iteration 2: trace = 6.375242987596106 (0.273412% change) linmin: converged after 4 iterations. iteration 3: trace = 6.370715448082573 (0.0710427% change) linmin: converged after 4 iterations. iteration 4: trace = 6.368209752404007 (0.0393392% change) linmin: converged after 4 iterations. iteration 5: trace = 6.366423965129089 (0.0280462% change) linmin: converged after 4 iterations. iteration 6: trace = 6.365418549486456 (0.0157937% change) linmin: converged after 4 iterations. iteration 7: trace = 6.364762760708476 (0.0103029% change) linmin: converged after 6 iterations. iteration 8: trace = 6.364505250070454 (0.00404596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.36431449875261 (0.00299716% change) linmin: converged after 4 iterations. iteration 10: trace = 6.36418777225265 (0.00199122% change) linmin: converged after 5 iterations. iteration 11: trace = 6.364105952509211 (0.00128564% change) large trace change predicted (0.00305009%) linmin: converged after 10 iterations. iteration 12: trace = 6.363911985081294 (0.00304788% change) near maximum in trace linmin: converged after 8 iterations. iteration 13: trace = 6.361499503685843 (0.037916% change) linmin: converged after 7 iterations. iteration 14: trace = 6.36027135349748 (0.0193078% change) linmin: converged after 6 iterations. iteration 15: trace = 6.359373322047383 (0.0141204% change) linmin: converged after 4 iterations. iteration 16: trace = 6.35855732958079 (0.0128322% change) linmin: converged after 5 iterations. iteration 17: trace = 6.357758965533478 (0.0125565% change) linmin: converged after 4 iterations. iteration 18: trace = 6.356950351663157 (0.0127193% change) linmin: converged after 4 iterations. iteration 19: trace = 6.356112163121015 (0.0131863% change) linmin: converged after 4 iterations. iteration 20: trace = 6.355221027897733 (0.0140211% change) linmin: converged after 5 iterations. iteration 21: trace = 6.354246279692957 (0.0153389% change) linmin: converged after 7 iterations. iteration 22: trace = 6.353159856642265 (0.0170991% change) linmin: converged after 5 iterations. iteration 23: trace = 6.351960899259382 (0.0188736% change) linmin: converged after 6 iterations. iteration 24: trace = 6.350699438134904 (0.0198614% change) linmin: converged after 7 iterations. iteration 25: trace = 6.349458077477557 (0.0195487% change) linmin: converged after 5 iterations. iteration 26: trace = 6.348291605894328 (0.0183729% change) linmin: converged after 4 iterations. iteration 27: trace = 6.34719789341557 (0.0172299% change) linmin: converged after 4 iterations. iteration 28: trace = 6.346140664692705 (0.016658% change) linmin: converged after 4 iterations. iteration 29: trace = 6.345081444270764 (0.0166922% change) linmin: converged after 6 iterations. iteration 30: trace = 6.343999288666795 (0.0170565% change) linmin: converged after 8 iterations. iteration 31: trace = 6.342898002201816 (0.017361% change) linmin: converged after 5 iterations. iteration 32: trace = 6.341800697171118 (0.0173012% change) linmin: converged after 7 iterations. iteration 33: trace = 6.340734205414506 (0.0168183% change) linmin: converged after 5 iterations. iteration 34: trace = 6.33971368572808 (0.016096% change) linmin: converged after 5 iterations. iteration 35: trace = 6.338736988232581 (0.0154072% change) linmin: converged after 6 iterations. iteration 36: trace = 6.337788381038601 (0.0149664% change) linmin: converged after 6 iterations. iteration 37: trace = 6.336845738992868 (0.0148745% change) linmin: converged after 6 iterations. iteration 38: trace = 6.335887564106003 (0.0151218% change) linmin: converged after 5 iterations. iteration 39: trace = 6.334899803119841 (0.0155912% change) linmin: converged after 5 iterations. iteration 40: trace = 6.333883398871754 (0.0160458% change) linmin: converged after 7 iterations. iteration 41: trace = 6.332860786517116 (0.0161464% change) linmin: converged after 5 iterations. iteration 42: trace = 6.331873878864389 (0.0155851% change) linmin: converged after 5 iterations. iteration 43: trace = 6.330966881367777 (0.0143253% change) linmin: converged after 5 iterations. iteration 44: trace = 6.330164357925478 (0.012677% change) linmin: converged after 4 iterations. iteration 45: trace = 6.329464426416618 (0.0110577% change) linmin: converged after 4 iterations. iteration 46: trace = 6.328847888420542 (0.00974124% change) linmin: converged after 5 iterations. iteration 47: trace = 6.32828988372113 (0.00881723% change) linmin: converged after 4 iterations. iteration 48: trace = 6.327766921089158 (0.00826423% change) linmin: converged after 5 iterations. iteration 49: trace = 6.327259864958589 (0.00801351% change) linmin: converged after 4 iterations. iteration 50: trace = 6.326755103975183 (0.00797788% change) linmin: converged after 4 iterations. iteration 51: trace = 6.326245117196401 (0.00806112% change) linmin: converged after 6 iterations. iteration 52: trace = 6.325728461773253 (0.00816719% change) linmin: converged after 4 iterations. iteration 53: trace = 6.325208588756622 (0.00821873% change) linmin: converged after 4 iterations. iteration 54: trace = 6.324691250215436 (0.00817933% change) linmin: converged after 4 iterations. iteration 55: trace = 6.324181374306374 (0.008062% change) linmin: converged after 6 iterations. iteration 56: trace = 6.323680907360477 (0.00791386% change) linmin: converged after 4 iterations. iteration 57: trace = 6.323188395290025 (0.00778868% change) linmin: converged after 5 iterations. iteration 58: trace = 6.322699858896263 (0.00772641% change) linmin: converged after 4 iterations. iteration 59: trace = 6.322210009625386 (0.00774777% change) linmin: converged after 4 iterations. iteration 60: trace = 6.321713097538986 (0.00786009% change) linmin: converged after 4 iterations. iteration 61: trace = 6.321203130511794 (0.00806724% change) linmin: converged after 4 iterations. iteration 62: trace = 6.320673555720772 (0.0083781% change) linmin: converged after 5 iterations. iteration 63: trace = 6.320116720804852 (0.00881013% change) linmin: converged after 6 iterations. iteration 64: trace = 6.319523559448256 (0.00938573% change) linmin: converged after 5 iterations. iteration 65: trace = 6.318884020578164 (0.0101206% change) linmin: converged after 6 iterations. iteration 66: trace = 6.318188804775419 (0.0110028% change) linmin: converged after 7 iterations. iteration 67: trace = 6.317432799520505 (0.0119663% change) linmin: converged after 7 iterations. iteration 68: trace = 6.316619714792608 (0.0128713% change) linmin: converged after 5 iterations. iteration 69: trace = 6.315765584707393 (0.0135229% change) resetting CG direction... large trace change predicted (0.188897%) linmin: converged after 4 iterations. iteration 70: trace = 6.303775215283887 (0.190029% change) linmin: converged after 4 iterations. iteration 71: trace = 6.30036008266891 (0.0541907% change) linmin: converged after 4 iterations. iteration 72: trace = 6.299320271825109 (0.0165054% change) linmin: converged after 4 iterations. iteration 73: trace = 6.299061190191026 (0.00411294% change) linmin: converged after 5 iterations. iteration 74: trace = 6.298946775233155 (0.0018164% change) linmin: converged after 7 iterations. iteration 75: trace = 6.298877894192596 (0.00109354% change) linmin: converged after 6 iterations. iteration 76: trace = 6.298793454107139 (0.00134057% change) linmin: converged after 3 iterations. iteration 77: trace = 6.298725861962364 (0.0010731% change) linmin: converged after 5 iterations. iteration 78: trace = 6.29868294733083 (0.000681325% change) linmin: converged after 4 iterations. iteration 79: trace = 6.298642217591597 (0.000646641% change) linmin: converged after 13 iterations. iteration 80: trace = 6.298616556646929 (0.000407405% change) linmin: converged after 4 iterations. iteration 81: trace = 6.298604027893521 (0.000198913% change) linmin: converged after 3 iterations. iteration 82: trace = 6.298598787140605 (8.3205e-05% change) linmin: converged after 10 iterations. iteration 83: trace = 6.298597356051435 (2.27208e-05% change) linmin: converged after 2 iterations. iteration 84: trace = 6.298596365659966 (1.5724e-05% change) linmin: converged after 5 iterations. iteration 85: trace = 6.298595760213274 (9.61241e-06% change) linmin: converged after 7 iterations. iteration 86: trace = 6.298595315608592 (7.05879e-06% change) linmin: converged after 12 iterations. iteration 87: trace = 6.298595099404392 (3.43258e-06% change) linmin: converged after 13 iterations. iteration 88: trace = 6.298595020053137 (1.25982e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.298594974722617 (7.19693e-07% change) linmin: converged after 6 iterations. iteration 90: trace = 6.298594929358501 (7.20226e-07% change) linmin: converged after 13 iterations. iteration 91: trace = 6.298594895494825 (5.37639e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 6.298594877349233 (2.8809e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 6.298594868821886 (1.35385e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 6.298594864524706 (6.82244e-08% change) linmin: converged after 4 iterations. iteration 95: trace = 6.298594862453187 (3.28886e-08% change) linmin: converged after 4 iterations. iteration 96: trace = 6.298594861905778 (8.69096e-09% change) linmin: converged after 5 iterations. iteration 97: trace = 6.298594861732249 (2.75505e-09% change) linmin: converged after 3 iterations. iteration 98: trace = 6.298594861685728 (7.38593e-10% change) linmin: converged after 3 iterations. iteration 99: trace = 6.298594861667213 (2.93954e-10% change) linmin: converged after 4 iterations. iteration 100: trace = 6.298594861658028 (1.45821e-10% change) linmin: converged after 4 iterations. iteration 101: trace = 6.298594861654125 (6.19607e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 elapsed time for k point: 0.7698733806610107 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.3065639871607 (0.575322% change) linmin: converged after 5 iterations. iteration 2: trace = 6.289554233350304 (0.270079% change) linmin: converged after 3 iterations. iteration 3: trace = 6.285540394320863 (0.0638379% change) linmin: converged after 4 iterations. iteration 4: trace = 6.283792833049898 (0.0278067% change) linmin: converged after 4 iterations. iteration 5: trace = 6.282960247915502 (0.0132506% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282722744170227 (0.0037802% change) linmin: converged after 4 iterations. iteration 7: trace = 6.282637992351809 (0.00134898% change) linmin: converged after 3 iterations. iteration 8: trace = 6.282617671090315 (0.000323452% change) linmin: converged after 3 iterations. iteration 9: trace = 6.282612484408521 (8.25561e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 6.282610016564448 (3.92805e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.282609109449679 (1.44385e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.282608783832864 (5.18283e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.282608658505957 (1.99482e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 6.282608607802806 (8.0704e-07% change) linmin: converged after 10 iterations. iteration 15: trace = 6.282608579576478 (4.49277e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 6.282608566246182 (2.12178e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.282608558481405 (1.23592e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.282608555131906 (5.33138e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 6.282608553958246 (1.86811e-08% change) linmin: converged after 9 iterations. iteration 20: trace = 6.282608553518157 (7.00487e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 6.282608553300057 (3.47149e-09% change) linmin: converged after 10 iterations. iteration 22: trace = 6.282608553188997 (1.76774e-09% change) linmin: converged after 10 iterations. iteration 23: trace = 6.282608553137478 (8.20022e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 6.282608553118513 (3.01869e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 6.282608553113039 (8.71269e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 elapsed time for k point: 0.19461274147033691 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.31797506784811 (0.565733% change) linmin: converged after 4 iterations. iteration 2: trace = 6.302973191720346 (0.23773% change) linmin: converged after 4 iterations. iteration 3: trace = 6.299244438394495 (0.0591761% change) linmin: converged after 3 iterations. iteration 4: trace = 6.297766221419135 (0.0234693% change) linmin: converged after 4 iterations. iteration 5: trace = 6.297098741183586 (0.0105992% change) linmin: converged after 3 iterations. iteration 6: trace = 6.296927857601 (0.00271372% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296859980232965 (0.00107795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.296840480940125 (0.000309667% change) linmin: converged after 3 iterations. iteration 9: trace = 6.296835118565341 (8.51598e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.296832556246112 (4.06922e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 6.296831447029666 (1.76155e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.296831011555438 (6.91577e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 6.296830859588107 (2.41339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.296830816318607 (6.87163e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 6.296830799715155 (2.63679e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 6.296830794163726 (8.81623e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 6.296830791811519 (3.73554e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 6.296830790795286 (1.61388e-08% change) linmin: converged after 23 iterations. iteration 19: trace = 6.296830790487538 (4.88734e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 6.296830790381245 (1.68805e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 6.296830790332558 (7.73189e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 6.29683079030516 (4.35116e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 6.296830790293803 (1.80363e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 6.296830790289759 (6.42208e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 elapsed time for k point: 0.17734026908874512 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.373209112052805 (0.562684% change) linmin: converged after 10 iterations. iteration 2: trace = 6.36031616157883 (0.202504% change) linmin: converged after 4 iterations. iteration 3: trace = 6.357504912907773 (0.0442096% change) linmin: converged after 3 iterations. iteration 4: trace = 6.356585097729216 (0.0144692% change) linmin: converged after 3 iterations. iteration 5: trace = 6.35623283030905 (0.00554193% change) linmin: converged after 15 iterations. iteration 6: trace = 6.356142086163289 (0.00142765% change) linmin: converged after 3 iterations. iteration 7: trace = 6.356092254702443 (0.000783992% change) linmin: converged after 3 iterations. iteration 8: trace = 6.356067894803361 (0.000383253% change) linmin: converged after 3 iterations. iteration 9: trace = 6.356057959423483 (0.000156313% change) linmin: converged after 3 iterations. iteration 10: trace = 6.356053442445841 (7.10657e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.356051425803924 (3.17279e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.35605045638662 (1.52519e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 6.356050073440102 (6.02491e-06% change) linmin: converged after 21 iterations. iteration 14: trace = 6.356049967376739 (1.6687e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.356049919529158 (7.52788e-07% change) linmin: converged after 13 iterations. iteration 16: trace = 6.35604990138872 (2.85404e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 6.35604989273501 (1.36149e-07% change) linmin: converged after 6 iterations. iteration 18: trace = 6.356049887839807 (7.70164e-08% change) linmin: converged after 16 iterations. iteration 19: trace = 6.356049885346999 (3.92194e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.356049883857857 (2.34287e-08% change) linmin: converged after 5 iterations. iteration 21: trace = 6.356049883361589 (7.8078e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 6.356049883209118 (2.39883e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 6.356049883160938 (7.5802e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 6.356049883141617 (3.03971e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 6.356049883134011 (1.19671e-10% change) linmin: converged after 20 iterations. iteration 26: trace = 6.356049883130346 (5.76557e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 elapsed time for k point: 0.20423293113708496 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.484406768763917 (0.576704% change) linmin: converged after 5 iterations. iteration 2: trace = 6.471730173735265 (0.195685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.469268167064959 (0.0380497% change) linmin: converged after 4 iterations. iteration 4: trace = 6.468362479663552 (0.0140008% change) linmin: converged after 4 iterations. iteration 5: trace = 6.468081016952982 (0.00435147% change) linmin: converged after 4 iterations. iteration 6: trace = 6.468019507054105 (0.000950981% change) linmin: converged after 4 iterations. iteration 7: trace = 6.467983140882891 (0.000562247% change) linmin: converged after 6 iterations. iteration 8: trace = 6.467960050007157 (0.000357003% change) linmin: converged after 4 iterations. iteration 9: trace = 6.467927172636435 (0.000508313% change) linmin: converged after 13 iterations. iteration 10: trace = 6.467898270580527 (0.000446853% change) linmin: converged after 6 iterations. iteration 11: trace = 6.467871940836138 (0.000407084% change) linmin: converged after 5 iterations. iteration 12: trace = 6.467850751198391 (0.000327614% change) linmin: converged after 6 iterations. iteration 13: trace = 6.46783573451671 (0.000232174% change) linmin: converged after 5 iterations. iteration 14: trace = 6.467812737194985 (0.000355565% change) large trace change predicted (0.000926251%) linmin: converged after 3 iterations. iteration 15: trace = 6.467752878038727 (0.000925497% change) large trace change predicted (0.00336724%) linmin: converged after 6 iterations. iteration 16: trace = 6.46753799228928 (0.00332247% change) large trace change predicted (0.0076428%) linmin: converged after 6 iterations. iteration 17: trace = 6.467054240854877 (0.00747996% change) linmin: converged after 6 iterations. iteration 18: trace = 6.466680782267455 (0.00577495% change) linmin: converged after 4 iterations. iteration 19: trace = 6.466506550440609 (0.00269434% change) linmin: converged after 3 iterations. iteration 20: trace = 6.466437876282423 (0.001062% change) linmin: converged after 3 iterations. iteration 21: trace = 6.466417072559437 (0.000321719% change) linmin: converged after 3 iterations. iteration 22: trace = 6.466410918626344 (9.51676e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 6.466409279496674 (2.53484e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 6.466408508486158 (1.19233e-05% change) linmin: converged after 6 iterations. iteration 25: trace = 6.466407804621172 (1.08849e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 6.466407055854146 (1.15793e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466406660048698 (6.12095e-06% change) linmin: converged after 22 iterations. iteration 28: trace = 6.466406474881694 (2.86352e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 6.466406394954898 (1.23603e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.46640636439996 (4.72518e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 6.466406353483286 (1.68821e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466406348127093 (8.28311e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 6.466406341479104 (1.02808e-07% change) large trace change predicted (2.07292e-07%) linmin: converged after 2 iterations. iteration 34: trace = 6.466406328074751 (2.07292e-07% change) large trace change predicted (4.92859e-07%) linmin: converged after 3 iterations. iteration 35: trace = 6.466406296204647 (4.92857e-07% change) large trace change predicted (1.36404e-06%) linmin: converged after 5 iterations. iteration 36: trace = 6.466406207999212 (1.36406e-06% change) large trace change predicted (3.01548e-06%) linmin: converged after 5 iterations. iteration 37: trace = 6.46640601299846 (3.0156e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466405814967287 (3.06246e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.466405733805704 (1.25513e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 6.466405707718298 (4.0343e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 6.466405697281509 (1.614e-07% change) linmin: converged after 13 iterations. iteration 42: trace = 6.466405689115234 (1.26288e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 6.466405679855011 (1.43205e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.46640567344509 (9.91265e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 6.46640566942723 (6.21344e-08% change) linmin: converged after 2 iterations. iteration 46: trace = 6.466405667382235 (3.16249e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 6.466405666183872 (1.85321e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 6.466405665511933 (1.03912e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 6.466405664657936 (1.32067e-08% change) large trace change predicted (3.62453e-08%) linmin: converged after 19 iterations. iteration 50: trace = 6.46640566231416 (3.62454e-08% change) large trace change predicted (1.23507e-07%) linmin: converged after 2 iterations. iteration 51: trace = 6.466405654327716 (1.23507e-07% change) large trace change predicted (2.49094e-07%) linmin: converged after 2 iterations. iteration 52: trace = 6.466405638220102 (2.49097e-07% change) linmin: converged after 15 iterations. iteration 53: trace = 6.46640561690482 (3.29631e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 6.466405589348653 (4.26143e-07% change) linmin: converged after 17 iterations. iteration 55: trace = 6.466405565244271 (3.72763e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 6.466405553442849 (1.82504e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.466405548893452 (7.03543e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 6.466405546942659 (3.01681e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.466405546067048 (1.35409e-08% change) linmin: converged after 8 iterations. iteration 60: trace = 6.466405545765806 (4.65856e-09% change) linmin: converged after 5 iterations. iteration 61: trace = 6.466405545618406 (2.27948e-09% change) linmin: converged after 2 iterations. iteration 62: trace = 6.466405545535219 (1.28645e-09% change) linmin: converged after 6 iterations. iteration 63: trace = 6.466405545465581 (1.07691e-09% change) linmin: converged after 3 iterations. iteration 64: trace = 6.466405545408771 (8.78549e-10% change) linmin: converged after 6 iterations. iteration 65: trace = 6.466405545374389 (5.31692e-10% change) linmin: converged after 3 iterations. iteration 66: trace = 6.46640554535702 (2.68607e-10% change) linmin: converged after 3 iterations. iteration 67: trace = 6.466405545351025 (9.27131e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 .elapsed time for k point: 0.4116981029510498 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840947 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454924 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513126 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618369 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.8161730293674935 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140956 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.8385562359606974 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.922084942589803 at Vector3<0.0, 0.0, 0.0> Band 6 range: 1.0168656683915518 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418322 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 1.0184507253059405 at Vector3<0.0, 0.0, 0.0> to 1.159370227370717 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 1.1636719050364357 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.2433411839871045 at Vector3<0.0, 0.0, 0.0> Gap from band 3 (0.7880878930618369) to band 4 (0.8161730293674935), 3.501317761094284% Gap from band 5 (0.922084942589803) to band 6 (1.0168656683915518), 9.776497169649693% Gap from band 7 (1.159370227370717) to band 8 (1.1636719050364357), 0.37034865667815786% total elapsed time for run: 4.740970134735107 done /tmp/meepuUBjUW/test_honey_rods-0: 6.09s /tmp/meepuUBjUW/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 224 x 1. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (6.06218, -3.5, 0) (0, 0, 1) Cell volume = 6.06218 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.0824786, -0.142857, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 9 object nodes (vs. 8 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 6 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.10000000000000005, 0.3500000000000001, 0.0> Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Vector3<0.5000000000000002, 1.7500000000000004, 0.0> elapsed time for initialization: 0.02384328842163086 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12 Solving for bands 2 to 7... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 1.196766755531371 (199.611% change) linmin: converged after 9 iterations. iteration 2: trace = 0.3074317174581362 (118.247% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2844524853025028 (7.76477% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2812371807197147 (1.13677% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2805321379624338 (0.251008% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2804620372438204 (0.0249916% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2804497808436873 (0.00437017% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2804487080528694 (0.000382526% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2804485287729162 (6.39261e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2804485117540451 (6.06845e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2804485091314656 (9.35138e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.2804485089210546 (7.50266e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 0.2804485089016316 (6.92566e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 0.2804485088974183 (1.50234e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.280448508897056 (1.29213e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2804485088969927 (2.25648e-11% change) Finished solving for bands 2 to 7 after 16 iterations. Solving for bands 8 to 12... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.347589494002308 (197.909% change) linmin: converged after 8 iterations. iteration 2: trace = 1.508143754927554 (112.007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308852038496591 (14.1492% change) linmin: converged after 6 iterations. iteration 4: trace = 1.247987481329314 (4.76092% change) linmin: converged after 6 iterations. iteration 5: trace = 1.226166609693982 (1.76391% change) linmin: converged after 4 iterations. iteration 6: trace = 1.220205207652076 (0.487367% change) linmin: converged after 5 iterations. iteration 7: trace = 1.218622738880585 (0.129773% change) linmin: converged after 5 iterations. iteration 8: trace = 1.217964901842141 (0.0539966% change) linmin: converged after 4 iterations. iteration 9: trace = 1.217640474833321 (0.0266404% change) linmin: converged after 5 iterations. iteration 10: trace = 1.217144671073517 (0.0407267% change) large trace change predicted (0.10801%) linmin: converged after 6 iterations. iteration 11: trace = 1.215926777209398 (0.100112% change) linmin: converged after 5 iterations. iteration 12: trace = 1.21494306055586 (0.0809354% change) linmin: converged after 4 iterations. iteration 13: trace = 1.214347551188201 (0.0490274% change) linmin: converged after 4 iterations. iteration 14: trace = 1.213914363082433 (0.0356789% change) linmin: converged after 4 iterations. iteration 15: trace = 1.213500547607448 (0.0340952% change) linmin: converged after 4 iterations. iteration 16: trace = 1.212959722484555 (0.0445773% change) linmin: converged after 4 iterations. iteration 17: trace = 1.212519538880448 (0.0362966% change) linmin: converged after 4 iterations. iteration 18: trace = 1.212248726511907 (0.0223372% change) linmin: converged after 3 iterations. iteration 19: trace = 1.212140684769636 (0.0089129% change) linmin: converged after 3 iterations. iteration 20: trace = 1.21209965011612 (0.00338536% change) linmin: converged after 3 iterations. iteration 21: trace = 1.212045003915321 (0.00450849% change) linmin: converged after 4 iterations. iteration 22: trace = 1.211966020314501 (0.00651677% change) linmin: converged after 3 iterations. iteration 23: trace = 1.211907378935235 (0.00483865% change) linmin: converged after 3 iterations. iteration 24: trace = 1.211861221840146 (0.0038087% change) linmin: converged after 3 iterations. iteration 25: trace = 1.211829202049092 (0.00264223% change) linmin: converged after 3 iterations. iteration 26: trace = 1.21180954111795 (0.00162243% change) linmin: converged after 3 iterations. iteration 27: trace = 1.211778805378119 (0.00253638% change) linmin: converged after 3 iterations. iteration 28: trace = 1.211738643161125 (0.00331437% change) linmin: converged after 3 iterations. iteration 29: trace = 1.211698946648681 (0.00327605% change) linmin: converged after 3 iterations. iteration 30: trace = 1.211675291898183 (0.00195222% change) linmin: converged after 3 iterations. iteration 31: trace = 1.211662280999265 (0.0010738% change) linmin: converged after 3 iterations. iteration 32: trace = 1.211643382935975 (0.00155969% change) linmin: converged after 4 iterations. iteration 33: trace = 1.21162659993771 (0.00138515% change) linmin: converged after 6 iterations. iteration 34: trace = 1.21161407808561 (0.00103348% change) linmin: converged after 9 iterations. iteration 35: trace = 1.211602453572232 (0.000959428% change) linmin: converged after 3 iterations. iteration 36: trace = 1.211598303616196 (0.000342519% change) linmin: converged after 3 iterations. iteration 37: trace = 1.211596448980703 (0.000153074% change) linmin: converged after 4 iterations. iteration 38: trace = 1.211594613228861 (0.000151515% change) linmin: converged after 3 iterations. iteration 39: trace = 1.211592534410096 (0.000171577% change) linmin: converged after 4 iterations. iteration 40: trace = 1.211590947234652 (0.000130999% change) linmin: converged after 3 iterations. iteration 41: trace = 1.211590215638785 (6.03831e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 1.211589891729974 (2.67342e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 1.211589741312141 (1.24149e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 1.211589683153448 (4.8002e-06% change) linmin: converged after 2 iterations. iteration 45: trace = 1.211589639031559 (3.64165e-06% change) linmin: converged after 4 iterations. iteration 46: trace = 1.211589594611466 (3.66627e-06% change) linmin: converged after 2 iterations. iteration 47: trace = 1.211589568398538 (2.16352e-06% change) linmin: converged after 2 iterations. iteration 48: trace = 1.211589556366786 (9.93055e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 1.211589549124783 (5.97727e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.211589544167536 (4.09152e-07% change) linmin: converged after 2 iterations. iteration 51: trace = 1.211589539501808 (3.85091e-07% change) linmin: converged after 2 iterations. iteration 52: trace = 1.211589533344353 (5.08213e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 1.2115895245724 (7.24004e-07% change) linmin: converged after 2 iterations. iteration 54: trace = 1.211589518683372 (4.86058e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 1.211589515923037 (2.27828e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 1.211589512935396 (2.46589e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 1.211589509905531 (2.50074e-07% change) linmin: converged after 4 iterations. iteration 58: trace = 1.211589507242201 (2.19821e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 1.211589504813927 (2.00421e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 1.211589503458421 (1.11878e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 1.211589502828578 (5.19848e-08% change) linmin: converged after 24 iterations. iteration 62: trace = 1.211589502438186 (3.22214e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 1.211589502003778 (3.58544e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 1.211589501370286 (5.2286e-08% change) linmin: converged after 3 iterations. iteration 65: trace = 1.211589501031969 (2.79234e-08% change) linmin: converged after 2 iterations. iteration 66: trace = 1.211589500878294 (1.26838e-08% change) linmin: converged after 18 iterations. iteration 67: trace = 1.211589500792745 (7.06086e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.211589500767784 (2.06018e-09% change) linmin: converged after 3 iterations. iteration 69: trace = 1.211589500755964 (9.75586e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 1.211589500751477 (3.7031e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 1.211589500746379 (4.20745e-10% change) linmin: converged after 3 iterations. iteration 72: trace = 1.21158950073995 (5.3065e-10% change) linmin: converged after 4 iterations. iteration 73: trace = 1.211589500735595 (3.59424e-10% change) linmin: converged after 15 iterations. iteration 74: trace = 1.211589500732076 (2.90515e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 1.211589500730084 (1.64409e-10% change) linmin: converged after 11 iterations. iteration 76: trace = 1.211589500729295 (6.50599e-11% change) Finished solving for bands 8 to 12 after 76 iterations. Finished k-point with 39.6667 mean iterations/band. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123 elapsed time for k point: 3.7715516090393066 Fixing e-field (band 1) phase by 1 + -0i; max ampl. = 0 Fixing e-field (band 2) phase by 0.934778 + -0.355231i; max ampl. = 0.36443 Fixing e-field (band 3) phase by 0.41377 + -0.910381i; max ampl. = 0.363694 Fixing e-field (band 4) phase by -0.042412 + 0.9991i; max ampl. = 0.40619 Fixing e-field (band 5) phase by -0.829535 + -0.558455i; max ampl. = 0.458526 Fixing e-field (band 6) phase by -0.636619 + -0.771179i; max ampl. = 0.461015 Fixing e-field (band 7) phase by -0.696974 + 0.717096i; max ampl. = 0.87849 Fixing e-field (band 8) phase by -0.801423 + 0.598098i; max ampl. = 0.582082 Fixing e-field (band 9) phase by 0.502154 + -0.864778i; max ampl. = 0.503748 Fixing e-field (band 10) phase by 0.833535 + -0.552467i; max ampl. = 0.514872 Fixing e-field (band 11) phase by 0.701379 + -0.712788i; max ampl. = 0.525048 Fixing e-field (band 12) phase by -0.711256 + 0.702933i; max ampl. = 0.596428 Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b01.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b02.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b03.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b04.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b05.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b06.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b07.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b08.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b09.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b10.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b11.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b12.z.tm.h5... solve_kpoint (0.1,0.35,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.1859754481091571 (4.37841% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1858559071650498 (0.0642985% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1858523719592242 (0.00190214% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1858522794619532 (4.97692e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1858522774470825 (1.08412e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1858522773945271 (2.8278e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1858522773930405 (7.99891e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1858522773929406 (5.37482e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.339583206387591 (1.2622% change) linmin: converged after 5 iterations. iteration 2: trace = 1.33063762646289 (0.670025% change) linmin: converged after 5 iterations. iteration 3: trace = 1.326359143522661 (0.322054% change) linmin: converged after 5 iterations. iteration 4: trace = 1.324059417054412 (0.173537% change) linmin: converged after 5 iterations. iteration 5: trace = 1.322335659994526 (0.130272% change) linmin: converged after 4 iterations. iteration 6: trace = 1.321900842351137 (0.032888% change) linmin: converged after 4 iterations. iteration 7: trace = 1.321789582191756 (0.00841703% change) linmin: converged after 4 iterations. iteration 8: trace = 1.321750554891683 (0.00295265% change) linmin: converged after 4 iterations. iteration 9: trace = 1.321739521847602 (0.000834733% change) linmin: converged after 7 iterations. iteration 10: trace = 1.321725729409737 (0.00104351% change) linmin: converged after 5 iterations. iteration 11: trace = 1.321717827626583 (0.00059784% change) linmin: converged after 5 iterations. iteration 12: trace = 1.32171560796717 (0.000167938% change) linmin: converged after 5 iterations. iteration 13: trace = 1.321714313062121 (9.79716e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.321713670509397 (4.86151e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.32171316783871 (3.80317e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.321712690347692 (3.61267e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.321712534925773 (1.17591e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.32171245068789 (6.37339e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 1.321712392022149 (4.43862e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 1.321712300288242 (6.94053e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.321712123338643 (1.33879e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.321712019292177 (7.8721e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 1.321711840507829 (1.35267e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.321711646564235 (1.46737e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.321711536307098 (8.342e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 1.32171148827869 (3.6338e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.321711471300697 (1.28455e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.321711467138154 (3.14936e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.321711466116505 (7.72975e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.321711465723412 (2.97412e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.321711465580959 (1.07779e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 1.321711465510915 (5.29947e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.321711465480889 (2.27175e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.321711465470897 (7.55973e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 1.321711465466495 (3.33089e-10% change) linmin: converged after 8 iterations. iteration 36: trace = 1.32171146546497 (1.15398e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.321711465463821 (8.68885e-11% change) Finished solving for bands 7 to 12 after 37 iterations. Finished k-point with 22.5 mean iterations/band. tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413 elapsed time for k point: 2.593775749206543 Fixing e-field (band 1) phase by -1 + 2.71695e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.066234 + 0.997804i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08291e-07i; max ampl. = 0.357513 Fixing e-field (band 4) phase by -0.00791593 + -0.999969i; max ampl. = 0.410959 Fixing e-field (band 5) phase by -1 + 1.15887e-06i; max ampl. = 0.464942 Fixing e-field (band 6) phase by 0.000719579 + 1i; max ampl. = 0.463983 Fixing e-field (band 7) phase by 1 + 1.05398e-08i; max ampl. = 0.893105 Fixing e-field (band 8) phase by -1 + 4.80899e-06i; max ampl. = 0.585113 Fixing e-field (band 9) phase by 2.4463e-05 + -1i; max ampl. = 0.51118 Fixing e-field (band 10) phase by 1 + 8.06478e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03316e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314817 + -1i; max ampl. = 0.377816 Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b01.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b02.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b03.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b04.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b05.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b06.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b07.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b08.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b09.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b10.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b11.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.2388580307782937 (6.66113% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2385221713841857 (0.140709% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2385114100977178 (0.00451175% change) linmin: converged after 2 iterations. iteration 4: trace = 0.2385111473622856 (0.000110156% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2385111400807255 (3.05292e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2385111399219119 (6.65854e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2385111399179209 (1.6733e-09% change) linmin: converged after 16 iterations. iteration 8: trace = 0.2385111399178055 (4.83867e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.328636670014931 (1.75254% change) linmin: converged after 5 iterations. iteration 2: trace = 1.320923404607837 (0.58223% change) linmin: converged after 5 iterations. iteration 3: trace = 1.318308076151315 (0.198189% change) linmin: converged after 4 iterations. iteration 4: trace = 1.317956425802998 (0.0266779% change) linmin: converged after 4 iterations. iteration 5: trace = 1.317882727769513 (0.005592% change) linmin: converged after 5 iterations. iteration 6: trace = 1.317830321381881 (0.00397664% change) linmin: converged after 21 iterations. iteration 7: trace = 1.317816402663161 (0.00105619% change) linmin: converged after 6 iterations. iteration 8: trace = 1.317806033886662 (0.000786818% change) linmin: converged after 4 iterations. iteration 9: trace = 1.317799113944952 (0.000525112% change) linmin: converged after 5 iterations. iteration 10: trace = 1.317797254181904 (0.000141127% change) linmin: converged after 5 iterations. iteration 11: trace = 1.317796412532883 (6.38679e-05% change) linmin: converged after 11 iterations. iteration 12: trace = 1.317796108435783 (2.30762e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.317796055321211 (4.03056e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.317796024477034 (2.34059e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.317796013257453 (8.5139e-07% change) linmin: converged after 23 iterations. iteration 16: trace = 1.317796004201295 (6.8722e-07% change) large trace change predicted (1.71406e-06%) linmin: converged after 3 iterations. iteration 17: trace = 1.317795981613608 (1.71405e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.317795944624388 (2.8069e-06% change) large trace change predicted (6.37234e-06%) linmin: converged after 8 iterations. iteration 19: trace = 1.317795860651614 (6.37221e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.317795777380738 (6.31895e-06% change) linmin: converged after 32 iterations. iteration 21: trace = 1.317795748000609 (2.22949e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 1.317795733123444 (1.12894e-06% change) linmin: converged after 6 iterations. iteration 23: trace = 1.317795727441454 (4.31174e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.317795724798878 (2.0053e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.317795723846541 (7.22674e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.317795723608524 (1.80617e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.317795723503125 (7.99815e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.31779572343886 (4.87671e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.317795723419225 (1.48995e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 1.317795723411641 (5.75501e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.317795723409147 (1.89273e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.317795723408442 (5.35315e-11% change) Finished solving for bands 7 to 12 after 32 iterations. Finished k-point with 20 mean iterations/band. tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423 elapsed time for k point: 2.2887988090515137 Fixing e-field (band 1) phase by 1 + -6.69684e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 1.41132e-11 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.03294e-14i; max ampl. = 0.3761 Fixing e-field (band 4) phase by -8.77229e-10 + -1i; max ampl. = 0.424925 Fixing e-field (band 5) phase by 1 + 1.3145e-13i; max ampl. = 0.480327 Fixing e-field (band 6) phase by 4.91261e-10 + -1i; max ampl. = 0.472091 Fixing e-field (band 7) phase by 1 + -1.06369e-12i; max ampl. = 0.919529 Fixing e-field (band 8) phase by -1 + -1.64856e-11i; max ampl. = 0.593898 Fixing e-field (band 9) phase by 1.07569e-07 + 1i; max ampl. = 0.521242 Fixing e-field (band 10) phase by -1 + 3.83354e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.75025e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.939e-06 + -1i; max ampl. = 0.473136 Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b01.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b02.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b03.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b04.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b05.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b06.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b07.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b08.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b09.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b10.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b11.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b12.z.tm.h5... solve_kpoint (0.3,1.05,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3105199359398265 (8.73919% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3098465068863809 (0.217107% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3098220243218767 (0.00790183% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3098213546274155 (0.000216155% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3098213374848054 (5.53306e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3098213371379585 (1.11951e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3098213371286766 (2.99587e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3098213371284358 (7.77246e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.321059189060651 (2.52198% change) linmin: converged after 5 iterations. iteration 2: trace = 1.312228993706477 (0.670659% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308669436105089 (0.271629% change) linmin: converged after 5 iterations. iteration 4: trace = 1.307528168194402 (0.0872463% change) linmin: converged after 4 iterations. iteration 5: trace = 1.307108376361817 (0.0321109% change) linmin: converged after 4 iterations. iteration 6: trace = 1.306967612816993 (0.0107697% change) linmin: converged after 4 iterations. iteration 7: trace = 1.30692104687625 (0.00356296% change) linmin: converged after 8 iterations. iteration 8: trace = 1.306903167954464 (0.00136803% change) linmin: converged after 4 iterations. iteration 9: trace = 1.306896582410012 (0.000503906% change) linmin: converged after 5 iterations. iteration 10: trace = 1.306894468922138 (0.000161718% change) linmin: converged after 5 iterations. iteration 11: trace = 1.306893729338946 (5.65909e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.306893106680217 (4.76442e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.306892656103195 (3.4477e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.306892370720252 (2.18368e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.306892063537916 (2.35048e-05% change) linmin: converged after 9 iterations. iteration 16: trace = 1.306891774918915 (2.20844e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.306891306571564 (3.58367e-05% change) large trace change predicted (0.0001439%) linmin: converged after 4 iterations. iteration 18: trace = 1.306889428974656 (0.000143669% change) large trace change predicted (0.000647089%) linmin: converged after 6 iterations. iteration 19: trace = 1.306881342171474 (0.000618784% change) near maximum in trace linmin: converged after 11 iterations. iteration 20: trace = 1.306841864904205 (0.00302077% change) linmin: converged after 6 iterations. iteration 21: trace = 1.306814317233515 (0.00210798% change) linmin: converged after 6 iterations. iteration 22: trace = 1.306780215571889 (0.00260956% change) linmin: converged after 9 iterations. iteration 23: trace = 1.306736702748669 (0.00332983% change) linmin: converged after 7 iterations. iteration 24: trace = 1.306707761476099 (0.0022148% change) linmin: converged after 6 iterations. iteration 25: trace = 1.306694949828091 (0.000980457% change) linmin: converged after 4 iterations. iteration 26: trace = 1.30668757171687 (0.000564641% change) linmin: converged after 5 iterations. iteration 27: trace = 1.306683169654682 (0.000336888% change) linmin: converged after 4 iterations. iteration 28: trace = 1.306680460975612 (0.000207294% change) linmin: converged after 4 iterations. iteration 29: trace = 1.306678613935068 (0.000141354% change) linmin: converged after 3 iterations. iteration 30: trace = 1.306677292065234 (0.000101163% change) linmin: converged after 6 iterations. iteration 31: trace = 1.306676263755384 (7.86966e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.306675403278145 (6.58524e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 1.306674672970374 (5.58905e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 1.306674108884319 (4.31696e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 1.306673737709854 (2.84061e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 1.306673513940721 (1.71251e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.306673362527367 (1.15877e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 1.306673228425955 (1.02628e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 1.306673109717042 (9.08482e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 1.306673026782846 (6.34697e-06% change) linmin: converged after 4 iterations. iteration 41: trace = 1.306672971288233 (4.24702e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.306672931203616 (3.06769e-06% change) linmin: converged after 9 iterations. iteration 43: trace = 1.306672900421495 (2.35576e-06% change) linmin: converged after 3 iterations. iteration 44: trace = 1.306672873955922 (2.02542e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 1.306672849955027 (1.83679e-06% change) linmin: converged after 2 iterations. iteration 46: trace = 1.306672828035896 (1.67748e-06% change) linmin: converged after 21 iterations. iteration 47: trace = 1.306672808497717 (1.49526e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 1.306672792920187 (1.19215e-06% change) linmin: converged after 2 iterations. iteration 49: trace = 1.30667278073184 (9.32777e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.306672769623505 (8.50124e-07% change) linmin: converged after 5 iterations. iteration 51: trace = 1.30667275827252 (8.68694e-07% change) linmin: converged after 8 iterations. iteration 52: trace = 1.306672746664947 (8.88331e-07% change) linmin: converged after 7 iterations. iteration 53: trace = 1.306672734231314 (9.51549e-07% change) linmin: converged after 6 iterations. iteration 54: trace = 1.306672719747275 (1.10847e-06% change) linmin: converged after 8 iterations. iteration 55: trace = 1.306672703451232 (1.24714e-06% change) linmin: converged after 2 iterations. iteration 56: trace = 1.306672685743829 (1.35515e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 1.306672664172661 (1.65085e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 1.306672633622723 (2.33799e-06% change) linmin: converged after 13 iterations. iteration 59: trace = 1.306672591449286 (3.22754e-06% change) linmin: converged after 15 iterations. iteration 60: trace = 1.306672545946202 (3.48236e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 1.306672503494355 (3.24885e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 1.306672460331878 (3.30324e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 1.306672416045949 (3.38921e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 1.306672371448651 (3.41304e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 1.306672322019688 (3.78281e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 1.306672266767598 (4.22846e-06% change) linmin: converged after 3 iterations. iteration 67: trace = 1.306672213731368 (4.05888e-06% change) linmin: converged after 9 iterations. iteration 68: trace = 1.306672169731838 (3.3673e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.306672130569276 (2.99712e-06% change) resetting CG direction... large trace change predicted (6.25477e-06%) linmin: converged after 5 iterations. iteration 70: trace = 1.306672048840626 (6.25472e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.306672012693929 (2.76632e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 1.306672000098197 (9.63955e-07% change) linmin: converged after 2 iterations. iteration 73: trace = 1.306671995811054 (3.28096e-07% change) linmin: converged after 2 iterations. iteration 74: trace = 1.306671993004206 (2.14809e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 1.306671990402459 (1.99112e-07% change) linmin: converged after 2 iterations. iteration 76: trace = 1.306671989145292 (9.62114e-08% change) linmin: converged after 3 iterations. iteration 77: trace = 1.306671988469853 (5.16916e-08% change) linmin: converged after 2 iterations. iteration 78: trace = 1.306671987976323 (3.777e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 1.306671987242599 (5.61521e-08% change) large trace change predicted (1.12943e-07%) linmin: converged after 3 iterations. iteration 80: trace = 1.306671985766801 (1.12943e-07% change) large trace change predicted (2.49995e-07%) linmin: converged after 3 iterations. iteration 81: trace = 1.306671982500196 (2.49994e-07% change) large trace change predicted (5.4192e-07%) linmin: converged after 13 iterations. iteration 82: trace = 1.306671975419139 (5.41915e-07% change) linmin: converged after 3 iterations. iteration 83: trace = 1.306671966776745 (6.61405e-07% change) linmin: converged after 24 iterations. iteration 84: trace = 1.306671961713351 (3.87503e-07% change) linmin: converged after 8 iterations. iteration 85: trace = 1.306671959299024 (1.84769e-07% change) linmin: converged after 3 iterations. iteration 86: trace = 1.306671956817022 (1.89948e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 1.30667195512776 (1.2928e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 1.306671954377645 (5.74065e-08% change) linmin: converged after 11 iterations. iteration 89: trace = 1.306671954035937 (2.6151e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 1.306671953899616 (1.04327e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.306671953836784 (4.80857e-09% change) linmin: converged after 2 iterations. iteration 92: trace = 1.306671953798474 (2.93184e-09% change) linmin: converged after 2 iterations. iteration 93: trace = 1.306671953790935 (5.76951e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 1.306671953788971 (1.50355e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 1.306671953788115 (6.55086e-11% change) Finished solving for bands 7 to 12 after 95 iterations. Finished k-point with 51.5 mean iterations/band. tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567 elapsed time for k point: 7.036309480667114 Fixing e-field (band 1) phase by 1 + -8.43945e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -7.36728e-12 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -1.0166e-15i; max ampl. = 0.420136 Fixing e-field (band 4) phase by 7.50961e-12 + 1i; max ampl. = 0.446788 Fixing e-field (band 5) phase by 1 + 2.94128e-15i; max ampl. = 0.496332 Fixing e-field (band 6) phase by -9.24666e-12 + 1i; max ampl. = 0.481878 Fixing e-field (band 7) phase by 1 + 2.60727e-13i; max ampl. = 0.896831 Fixing e-field (band 8) phase by 1.09737e-10 + -1i; max ampl. = 0.458802 Fixing e-field (band 9) phase by -1 + -1.96696e-11i; max ampl. = 0.495105 Fixing e-field (band 10) phase by 1 + -2.47558e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -9.51712e-12 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -7.63476e-11i; max ampl. = 0.423458 Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b01.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b02.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b03.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b04.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b05.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b06.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b07.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b08.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b09.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b10.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b11.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.3762985016867429 (10.9545% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3750342117371676 (0.336546% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3749816076769493 (0.0140275% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3749802749522109 (0.000355411% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3749802409984997 (9.0548e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3749802404009222 (1.59362e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.374980240382886 (4.8099e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3749802403822894 (1.59096e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3749802403822776 (3.1532e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.298011037461321 (3.05087% change) linmin: converged after 5 iterations. iteration 2: trace = 1.290256309342349 (0.599222% change) linmin: converged after 5 iterations. iteration 3: trace = 1.288297984129212 (0.151893% change) linmin: converged after 4 iterations. iteration 4: trace = 1.2878772301764 (0.032665% change) linmin: converged after 4 iterations. iteration 5: trace = 1.287688339079885 (0.0146679% change) linmin: converged after 4 iterations. iteration 6: trace = 1.287483849723766 (0.0158816% change) large trace change predicted (0.0565887%) linmin: converged after 7 iterations. iteration 7: trace = 1.28685287243285 (0.0490206% change) large trace change predicted (1.10957%) linmin: converged after 8 iterations. iteration 8: trace = 1.285207985881854 (0.127904% change) linmin: converged after 5 iterations. iteration 9: trace = 1.283531768705405 (0.130509% change) linmin: converged after 9 iterations. iteration 10: trace = 1.280537500864398 (0.233556% change) linmin: converged after 8 iterations. iteration 11: trace = 1.277572726481115 (0.231794% change) linmin: converged after 7 iterations. iteration 12: trace = 1.27563734746484 (0.151604% change) linmin: converged after 7 iterations. iteration 13: trace = 1.274202245367086 (0.112564% change) linmin: converged after 7 iterations. iteration 14: trace = 1.273022593346836 (0.0926225% change) linmin: converged after 8 iterations. iteration 15: trace = 1.272080215540049 (0.0740542% change) linmin: converged after 5 iterations. iteration 16: trace = 1.271347536034896 (0.0576135% change) linmin: converged after 7 iterations. iteration 17: trace = 1.270883530901358 (0.0365038% change) linmin: converged after 4 iterations. iteration 18: trace = 1.270618409224059 (0.0208634% change) linmin: converged after 4 iterations. iteration 19: trace = 1.270378371119911 (0.0188932% change) linmin: converged after 6 iterations. iteration 20: trace = 1.270104933606682 (0.0215264% change) linmin: converged after 6 iterations. iteration 21: trace = 1.269895617099838 (0.0164816% change) linmin: converged after 5 iterations. iteration 22: trace = 1.269782882629827 (0.00887785% change) linmin: converged after 3 iterations. iteration 23: trace = 1.269719750601914 (0.004972% change) linmin: converged after 6 iterations. iteration 24: trace = 1.269676766106199 (0.00338541% change) linmin: converged after 7 iterations. iteration 25: trace = 1.269642283512467 (0.00271589% change) linmin: converged after 5 iterations. iteration 26: trace = 1.269619087274533 (0.00182701% change) linmin: converged after 4 iterations. iteration 27: trace = 1.269607472587991 (0.000914821% change) linmin: converged after 8 iterations. iteration 28: trace = 1.269600759456913 (0.000528758% change) linmin: converged after 5 iterations. iteration 29: trace = 1.269595125006646 (0.000443798% change) linmin: converged after 9 iterations. iteration 30: trace = 1.269590376565027 (0.000374013% change) linmin: converged after 5 iterations. iteration 31: trace = 1.269587297957729 (0.000242489% change) linmin: converged after 6 iterations. iteration 32: trace = 1.269585545816303 (0.000138009% change) linmin: converged after 5 iterations. iteration 33: trace = 1.269584427090121 (8.81175e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.269583608532466 (6.44745e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 1.269583043842748 (4.44784e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 1.269582710117841 (2.62862e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.269582517553401 (1.51675e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.269582385116398 (1.04315e-05% change) linmin: converged after 11 iterations. iteration 39: trace = 1.269582283098437 (8.03555e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 1.269582214888568 (5.37262e-06% change) linmin: converged after 3 iterations. iteration 41: trace = 1.269582174660363 (3.16862e-06% change) linmin: converged after 12 iterations. iteration 42: trace = 1.269582148208323 (2.08352e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 1.269582127622132 (1.62149e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 1.269582111947448 (1.23463e-06% change) linmin: converged after 2 iterations. iteration 45: trace = 1.269582102245771 (7.64163e-07% change) linmin: converged after 4 iterations. iteration 46: trace = 1.26958209678698 (4.29968e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 1.269582093349534 (2.70754e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 1.269582091147356 (1.73457e-07% change) linmin: converged after 20 iterations. iteration 49: trace = 1.269582089806961 (1.05578e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.269582088919776 (6.98801e-08% change) linmin: converged after 6 iterations. iteration 51: trace = 1.269582088275121 (5.07769e-08% change) linmin: converged after 3 iterations. iteration 52: trace = 1.269582087760951 (4.04992e-08% change) linmin: converged after 12 iterations. iteration 53: trace = 1.269582087362723 (3.13669e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 1.269582087136648 (1.78071e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 1.269582087016091 (9.49576e-09% change) linmin: converged after 9 iterations. iteration 56: trace = 1.269582086921614 (7.44162e-09% change) linmin: converged after 9 iterations. iteration 57: trace = 1.269582086848892 (5.72801e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 1.269582086810662 (3.01122e-09% change) linmin: converged after 6 iterations. iteration 59: trace = 1.269582086792638 (1.4197e-09% change) linmin: converged after 3 iterations. iteration 60: trace = 1.269582086781325 (8.91094e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 1.269582086771858 (7.45616e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 1.269582086763084 (6.91153e-10% change) linmin: converged after 4 iterations. iteration 63: trace = 1.269582086756867 (4.89638e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 1.269582086753405 (2.72733e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 1.269582086751192 (1.74266e-10% change) linmin: converged after 9 iterations. iteration 66: trace = 1.269582086749747 (1.13857e-10% change) linmin: converged after 4 iterations. iteration 67: trace = 1.269582086748959 (6.2053e-11% change) Finished solving for bands 7 to 12 after 67 iterations. Finished k-point with 38 mean iterations/band. tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447 elapsed time for k point: 5.1503825187683105 Fixing e-field (band 1) phase by 1 + -1.73164e-16i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -3.3667e-12 + -1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by 1 + 2.01153e-15i; max ampl. = 0.464954 Fixing e-field (band 4) phase by 4.86528e-12 + 1i; max ampl. = 0.46974 Fixing e-field (band 5) phase by 1 + 6.49208e-15i; max ampl. = 0.505749 Fixing e-field (band 6) phase by -1.59948e-11 + 1i; max ampl. = 0.483913 Fixing e-field (band 7) phase by 1 + 3.73227e-14i; max ampl. = 0.643734 Fixing e-field (band 8) phase by 4.02684e-12 + 1i; max ampl. = 0.465166 Fixing e-field (band 9) phase by -1 + 6.87358e-14i; max ampl. = 0.43823 Fixing e-field (band 10) phase by 1.98569e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + -3.00146e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by 1.05977e-13 + -1i; max ampl. = 0.443866 Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b01.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b02.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b03.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b04.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b05.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b06.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b07.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b08.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b09.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b10.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b11.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b12.z.tm.h5... solve_kpoint (0.5,1.75,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.4044979732169223 (13.7656% change) linmin: converged after 4 iterations. iteration 2: trace = 0.4025034611955529 (0.494302% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4024212890120757 (0.0204174% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4024194033576305 (0.000468578% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4024193544035438 (1.21649e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4024193537759778 (1.55948e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4024193537536845 (5.5398e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4024193537529454 (1.83672e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4024193537529305 (3.71068e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.246579896079849 (3.2355% change) linmin: converged after 5 iterations. iteration 2: trace = 1.241420423793717 (0.414749% change) linmin: converged after 5 iterations. iteration 3: trace = 1.240323895101215 (0.0883676% change) linmin: converged after 4 iterations. iteration 4: trace = 1.240074667273184 (0.0200958% change) linmin: converged after 4 iterations. iteration 5: trace = 1.24004995523007 (0.00199281% change) linmin: converged after 4 iterations. iteration 6: trace = 1.240046276550807 (0.000296656% change) linmin: converged after 13 iterations. iteration 7: trace = 1.240045445498693 (6.70179e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 1.240045287286182 (1.27586e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.240045263300231 (1.93428e-06% change) linmin: converged after 29 iterations. iteration 10: trace = 1.240045258080157 (4.20958e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 1.240045257186147 (7.2095e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 1.240045257084782 (8.17431e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 1.2400452570647 (1.61945e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 1.240045257061235 (2.7939e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 1.24004525706096 (2.21857e-11% change) Finished solving for bands 7 to 12 after 15 iterations. Finished k-point with 12 mean iterations/band. tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569 elapsed time for k point: 1.5541160106658936 Fixing e-field (band 1) phase by 1 + -2.00047e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.32784e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by 1 + -1.40064e-17i; max ampl. = 0.462198 Fixing e-field (band 4) phase by -2.01924e-11 + -1i; max ampl. = 0.471227 Fixing e-field (band 5) phase by 1 + -5.35018e-15i; max ampl. = 0.472309 Fixing e-field (band 6) phase by 2.80754e-11 + 1i; max ampl. = 0.476607 Fixing e-field (band 7) phase by 1 + 9.0298e-16i; max ampl. = 0.600013 Fixing e-field (band 8) phase by 1.76087e-12 + -1i; max ampl. = 0.468917 Fixing e-field (band 9) phase by 1 + 1.7165e-16i; max ampl. = 0.508553 Fixing e-field (band 10) phase by -5.29416e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + -1.64417e-14i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 3.04706e-13 + 1i; max ampl. = 0.465525 ..Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b01.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b02.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b03.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b04.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b05.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b06.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b07.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b08.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b09.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b10.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b11.z.tm.h5... Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2563501053544447 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542215 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278226 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616924004 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 4 range: 0.19143758098896266 at Vector3<0.0, 0.0, 0.0> to 0.25957071278987937 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 5 range: 0.20907741437429694 at Vector3<0.0, 0.0, 0.0> to 0.26470695742810507 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 6 range: 0.25276899480758896 at Vector3<0.0, 0.0, 0.0> to 0.27082126366760045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 7 range: 0.33733710311255866 at Vector3<0.0, 0.0, 0.0> to 0.442497664916943 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 8 range: 0.4482627765538221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4683903271760484 at Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Band 9 range: 0.4514954029529221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.47131948362277304 at Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Band 10 range: 0.45640253677801607 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49648508869253005 at Vector3<0.0, 0.0, 0.0> Band 11 range: 0.46290665804314135 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49948776938324185 at Vector3<0.0, 0.0, 0.0> Band 12 range: 0.4656904639721246 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661458 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.33733710311255866), 21.8745126527225% Gap from band 7 (0.442497664916943) to band 8 (0.4482627765538221), 1.2944247113983016% total elapsed time for run: 22.901437997817993 done /tmp/meepuUBjUW/test_line_defect-0: 22.92s /tmp/meepuUBjUW/test_list_split-0 ======================== /tmp/meepuUBjUW/test_list_split-0: 0.00s /tmp/meepuUBjUW/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013842582702636719 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3227365016937256 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.7610955238342285 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09539651870727539 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.07918047904968262 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09550094604492188 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15509819984436035 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.10900044441223145 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.1093289852142334 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.07924866676330566 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08115768432617188 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07787251472473145 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.10171627998352051 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07131552696228027 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1885218620300293 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.13377761840820312 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.26123547554016113 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.7246971130371094 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013747215270996094 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14589738845825195 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.3921318054199219 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.0870976448059082 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.0802769660949707 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.0953521728515625 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.14391255378723145 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11017227172851562 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09853410720825195 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0802617073059082 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08180499076843262 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07670044898986816 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06094932556152344 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07192373275756836 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.12104153633117676 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.14847898483276367 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.25370097160339355 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.0507328510284424 done /tmp/meepuUBjUW/test_load_and_save_eigenvectors-0: 4.78s /tmp/meepuUBjUW/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.252786, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009281635284423828 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4898474331528383 (198.799% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2634327276606197 (60.1143% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2256354401058421 (15.4569% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2118795772470987 (6.28818% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2093240519911654 (1.21344% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2091127254372625 (0.101008% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2090852588528238 (0.0131357% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2090837640052219 (0.000714949% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2090835745606499 (9.06071e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.209083529405388 (2.15968e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2090835264202496 (1.42773e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2090835262060447 (1.02449e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2090835261751921 (1.47561e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2090835261708315 (2.08559e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2090835261706046 (1.08522e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2090835261705098 (4.53204e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.004349946975708008 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2098651202886062 (4.6103% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2077435553715469 (1.01605% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2065876445984869 (0.557965% change) large trace change predicted (1.26308%) linmin: converged after 5 iterations. iteration 4: trace = 0.2036945327837802 (1.4103% change) linmin: converged after 7 iterations. iteration 5: trace = 0.2020820274046518 (0.794775% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2017151357863381 (0.181721% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2016398542630094 (0.0373277% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2015598361330475 (0.0396916% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2014449638068836 (0.0570079% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2014122707810966 (0.0162306% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2014087537596145 (0.0017462% change) linmin: converged after 15 iterations. iteration 12: trace = 0.2014078549180843 (0.000446278% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2014061973776658 (0.00082298% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2014048838687256 (0.000652171% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2014047218138699 (8.04623e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2014047010268015 (1.0321e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 0.2014046853812204 (7.76823e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 0.201404660765346 (1.22221e-05% change) linmin: converged after 11 iterations. iteration 19: trace = 0.2014046519845329 (4.35979e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2014046509574838 (5.09943e-07% change) linmin: converged after 7 iterations. iteration 21: trace = 0.2014046507829159 (8.66752e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.2014046504702771 (1.55229e-07% change) linmin: converged after 21 iterations. iteration 23: trace = 0.201404650217115 (1.25698e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 0.2014046501748755 (2.09725e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 0.2014046501695867 (2.62594e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.2014046501671034 (1.23299e-09% change) large trace change predicted (2.54495e-09%) linmin: converged after 11 iterations. iteration 27: trace = 0.2014046501619765 (2.54556e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 0.201404650160167 (8.98439e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2014046501599492 (1.08167e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 0.201404650159914 (1.74605e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 elapsed time for k point: 0.016118526458740234 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1886993853589348 (5.81613% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1879329654030555 (0.406986% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1879019987162396 (0.0164789% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1879007700599346 (0.000653884% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1879007324411779 (2.00205e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.187900730110987 (1.24012e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1879007300208395 (4.79761e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1879007300173998 (1.83059e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1879007300173185 (4.32802e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 elapsed time for k point: 0.005030393600463867 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.177090620447409 (5.09773% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1768676334153295 (0.125996% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1768576072264843 (0.00566891% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1768571937062109 (0.000233816% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1768571846110659 (5.14265e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.17685718426356 (1.9649e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1768571842571168 (3.64315e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.176857184256887 (1.29897e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1768571842568802 (3.84498e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 elapsed time for k point: 0.006285905838012695 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1703028333697424 (5.07332% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1701701834280546 (0.077921% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1701632888796343 (0.00405164% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1701630475985811 (0.000141794% change) linmin: converged after 2 iterations. iteration 5: trace = 0.170163043820658 (2.22018e-06% change) linmin: converged after 26 iterations. iteration 6: trace = 0.1701630436796942 (8.28404e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1701630436771921 (1.47042e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.1701630436771221 (4.11041e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 elapsed time for k point: 0.004555940628051758 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1680722256068113 (5.13139% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1679599575333087 (0.0668198% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1679544178043843 (0.0032983% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1679542046758051 (0.000126897% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1679542018800741 (1.66458e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1679542017770075 (6.13659e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1679542017749324 (1.23554e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.167954201774869 (3.77281e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 elapsed time for k point: 0.004791259765625 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. iteration 1: trace = 0.1727907851940615 (0.90973% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1727441194082773 (0.0270108% change) linmin: converged after 5 iterations. iteration 3: trace = 0.172742290671633 (0.00105864% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1727422490693743 (2.40834e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1727422479861119 (6.27098e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1727422479682355 (1.03486e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1727422479677768 (2.65501e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1727422479677606 (9.39956e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 elapsed time for k point: 0.004672527313232422 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1860989381524436 (1.56232% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1859976762889476 (0.0544277% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1859938669738662 (0.00204807% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1859937714047326 (5.1383e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1859937688937456 (1.35004e-06% change) linmin: converged after 20 iterations. iteration 6: trace = 0.1859937688390201 (2.94233e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1859937688378915 (6.06808e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1859937688378515 (2.15337e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 elapsed time for k point: 0.004906892776489258 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.204398857278778 (2.75517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2041523986067431 (0.12065% change) linmin: converged after 2 iterations. iteration 3: trace = 0.2041422878985797 (0.00495265% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2041420493962594 (0.000116831% change) linmin: converged after 2 iterations. iteration 5: trace = 0.204142041499828 (3.86811e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2041420413330259 (8.17088e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.204142041329127 (1.90987e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2041420413289723 (7.57989e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 elapsed time for k point: 0.00453639030456543 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2213300955570094 (4.3094% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2207839638738396 (0.247055% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2207589339831465 (0.0113375% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2207583808306992 (0.000250569% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2207583584069987 (1.01576e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.220758357912076 (2.24192e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2207583578975028 (6.60144e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2207583578967375 (3.46633e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2207583578967242 (6.03496e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 elapsed time for k point: 0.00528264045715332 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2286358930851747 (5.87517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2277546866636135 (0.386163% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2277132378226158 (0.0182006% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2277123246168996 (0.000401034% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2277122854063269 (1.72193e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2277122844171639 (4.34392e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2277122843860133 (1.36798e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2277122843842668 (7.66961e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2277122843842428 (1.05556e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 elapsed time for k point: 0.005063295364379883 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2240217978987306 (8.03377% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2227325966086012 (0.577141% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2221794028707296 (0.248676% change) large trace change predicted (1.12179%) linmin: converged after 6 iterations. iteration 4: trace = 0.2201021533223285 (0.939334% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2194887472932667 (0.27908% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2194646258573113 (0.0109904% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2194635570027366 (0.000487029% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2194633146452799 (0.000110432% change) large trace change predicted (0.00027517%) linmin: converged after 6 iterations. iteration 9: trace = 0.2194627106479067 (0.000275216% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2194625034252833 (9.44227e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2194624959688223 (3.3976e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2194624957143563 (1.1595e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2194624956685689 (2.08635e-08% change) large trace change predicted (5.35737e-08%) linmin: converged after 2 iterations. iteration 14: trace = 0.2194624955509947 (5.35737e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.2194624955026465 (2.20302e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 0.2194624955005199 (9.69019e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 0.2194624955004418 (3.56141e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 elapsed time for k point: 0.009374856948852539 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2048270491097952 (7.89384% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2042255888086185 (0.294075% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2042030572713608 (0.0110333% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2042021613101474 (0.000438761% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2042021401646438 (1.03552e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2042021396348914 (2.59426e-07% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2042021396248773 (4.90403e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2042021396245604 (1.55196e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2042021396245495 (5.31455e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 elapsed time for k point: 0.0050487518310546875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1961694955193463 (6.14128% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1959410036458176 (0.116545% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1959317156392236 (0.00474032% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1959313940592608 (0.000164129% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1959313856969012 (4.268e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1959313854375356 (1.32376e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.195931385431126 (3.27138e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1959313854307266 (2.03834e-10% change) linmin: converged after 7 iterations. iteration 9: trace = 0.1959313854307188 (4.00897e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 elapsed time for k point: 0.005034208297729492 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2014853855724111 (5.75945% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2008264904582411 (0.327554% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2007788953842623 (0.0237024% change) linmin: converged after 4 iterations. iteration 4: trace = 0.200774994456563 (0.00194292% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2007748543968735 (6.97596e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2007748486133257 (2.88061e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2007748484344859 (8.90748e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2007748484304172 (2.02647e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2007748484302034 (1.06516e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2007748484301817 (1.08105e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 elapsed time for k point: 0.0055637359619140625 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2122718724222841 (4.82659% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2094216112500319 (1.35182% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2091030511365138 (0.15223% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2090846371542949 (0.00880656% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2090836304333473 (0.000481491% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2090835247433784 (5.05491e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2090835130860209 (5.57545e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.20908351233741 (3.58044e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2090835122673797 (3.34939e-08% change) linmin: converged after 12 iterations. iteration 10: trace = 0.2090835122583799 (4.3044e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 0.209083512257221 (5.54292e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2090835122571488 (3.45147e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.0034952163696289062 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992222 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.35120083530511803 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897039 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992222) to band 2 (0.35120083530511803), 34.044042557162825% total elapsed time for run: 0.09585165977478027 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.347214, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0012104511260986328 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4343181010737095 (198.885% change) linmin: converged after 12 iterations. iteration 2: trace = 0.1466798479702049 (99.0152% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1367387884266781 (7.01511% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1336076174223981 (2.31641% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1327039030623742 (0.67869% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326703124348133 (0.0253157% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1326539772352652 (0.0123134% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1326531685227361 (0.000609642% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1326529640371999 (0.000154151% change) linmin: converged after 3 iterations. iteration 10: trace = 0.1326529337762072 (2.28122e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.1326529311517259 (1.97846e-06% change) linmin: converged after 18 iterations. iteration 12: trace = 0.1326529297895758 (1.02685e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.1326529296923191 (7.33166e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.1326529296662335 (1.96646e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1326529296624067 (2.8848e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1326529296621591 (1.86637e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1326529296620271 (9.95329e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 elapsed time for k point: 0.0046634674072265625 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.1330276952346082 (5.99259% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1318813366874199 (0.865473% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1308680471843932 (0.771297% change) large trace change predicted (1.92882%) linmin: converged after 5 iterations. iteration 4: trace = 0.128304306929748 (1.97841% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1276263878962662 (0.529768% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1275322440298945 (0.0737924% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1275021778548772 (0.0235781% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1274414865517367 (0.0476115% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1274120300325395 (0.0231164% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1274093849400094 (0.00207604% change) linmin: converged after 5 iterations. iteration 11: trace = 0.1274090082736754 (0.000295635% change) linmin: converged after 13 iterations. iteration 12: trace = 0.1274085198427984 (0.000383357% change) linmin: converged after 4 iterations. iteration 13: trace = 0.1274080628429791 (0.000358689% change) linmin: converged after 5 iterations. iteration 14: trace = 0.1274079792683117 (6.55961e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 0.1274079726496398 (5.19486e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 0.1274079698067216 (2.23135e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 0.1274079642222976 (4.3831e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 0.1274079624506347 (1.39054e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.1274079623179862 (1.04113e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 0.1274079622924786 (2.00204e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 0.1274079622440727 (3.79928e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.1274079622155672 (2.23734e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 0.1274079622132353 (1.83032e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 0.1274079622129696 (2.08546e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 0.1274079622125829 (3.03528e-10% change) linmin: converged after 20 iterations. iteration 26: trace = 0.1274079622122151 (2.8867e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 0.1274079622121569 (4.56827e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 elapsed time for k point: 0.014561891555786133 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1175895698985854 (8.46358% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1169854373382419 (0.515087% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1169634629343659 (0.0187856% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1169624287919833 (0.000884162% change) linmin: converged after 15 iterations. iteration 5: trace = 0.1169623892439103 (3.38126e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1169623870108744 (1.90919e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1169623869324882 (6.70183e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1169623869302093 (1.94843e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1169623869301465 (5.37255e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 elapsed time for k point: 0.00529026985168457 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1076617181330985 (7.39497% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1074867217773472 (0.162675% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1074797532363015 (0.00648337% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1074794560989978 (0.000276459% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1074794492025648 (6.41651e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1074794489996317 (1.88811e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1074794489927401 (6.41204e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1074794489925578 (1.69638e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1074794489925547 (2.87938e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 elapsed time for k point: 0.00516200065612793 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1014137083501608 (7.0899% change) linmin: converged after 3 iterations. iteration 2: trace = 0.1013434149944228 (0.0693375% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1013402349806177 (0.00313791% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1013401302210901 (0.000103374% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1013401281880725 (2.00613e-06% change) linmin: converged after 21 iterations. iteration 6: trace = 0.1013401281491232 (3.84342e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1013401281478892 (1.21771e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1013401281478577 (3.10586e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 elapsed time for k point: 0.004769086837768555 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.09929517146312491 (6.9708% change) linmin: converged after 3 iterations. iteration 2: trace = 0.09924752556066022 (0.0479956% change) linmin: converged after 3 iterations. iteration 3: trace = 0.09924547743477752 (0.00206368% change) linmin: converged after 2 iterations. iteration 4: trace = 0.09924540340840851 (7.45892e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.09924540237232149 (1.04396e-06% change) linmin: converged after 27 iterations. iteration 6: trace = 0.09924540235031715 (2.21716e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.0992454023496615 (6.60627e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.09924540234965068 (1.0907e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 elapsed time for k point: 0.004529237747192383 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1023748756355368 (0.938618% change) linmin: converged after 4 iterations. iteration 2: trace = 0.10234483009841 (0.0293529% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1023441319883404 (0.000682118% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1023441118540878 (1.96731e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1023441112170787 (6.22419e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1023441112108164 (6.11888e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1023441112106436 (1.68821e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1023441112106414 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 elapsed time for k point: 0.004530429840087891 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1111648725369592 (1.70677% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1111022041294547 (0.0563902% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1111005428817409 (0.00149525% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1111004887965007 (4.86814e-05% change) linmin: converged after 11 iterations. iteration 5: trace = 0.1111004875283868 (1.14141e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1111004875048891 (2.115e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1111004875044872 (3.61795e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1111004875044771 (9.06861e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 elapsed time for k point: 0.005673646926879883 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1238434803057007 (3.06251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1236602488077916 (0.148064% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1236554311291923 (0.00389598% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1236552618867514 (0.000136866% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1236552585512283 (2.69744e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1236552584722953 (6.38331e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1236552584710226 (1.02924e-09% change) linmin: converged after 9 iterations. iteration 8: trace = 0.1236552584709829 (3.20752e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 elapsed time for k point: 0.0045130252838134766 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.1365861283694175 (4.90629% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1360353991956018 (0.404025% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1360216616314292 (0.010099% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1360211293759799 (0.000391303% change) linmin: converged after 6 iterations. iteration 5: trace = 0.136021117748354 (8.5484e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1360211172989073 (3.30424e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.136021117275474 (1.72277e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1360211172747932 (5.00461e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1360211172747791 (1.03659e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 elapsed time for k point: 0.005011320114135742 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1427907515851958 (7.20068% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1416129588617777 (0.828254% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1415842924679495 (0.0202448% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1415827791943139 (0.00106882% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1415827277312479 (3.63484e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1415827249602425 (1.95716e-06% change) linmin: converged after 7 iterations. iteration 7: trace = 0.1415827248205369 (9.86742e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1415827248187983 (1.22794e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1415827248187514 (3.31108e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 elapsed time for k point: 0.0050389766693115234 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.139128512598051 (10.1029% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1378170044816252 (0.947124% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1377216292272727 (0.0692282% change) large trace change predicted (0.351976%) linmin: converged after 6 iterations. iteration 4: trace = 0.1372856158281962 (0.317092% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1366576168038859 (0.458488% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1366119030153259 (0.0334569% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1366103217876671 (0.00115747% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1366097453256683 (0.000421976% change) large trace change predicted (0.0013334%) linmin: converged after 5 iterations. iteration 9: trace = 0.1366079217893784 (0.00133486% change) linmin: converged after 6 iterations. iteration 10: trace = 0.1366070298222958 (0.000652942% change) linmin: converged after 4 iterations. iteration 11: trace = 0.1366069869567786 (3.13787e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1366069853873101 (1.14889e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.136606984352414 (7.57572e-07% change) large trace change predicted (2.51117e-06%) linmin: converged after 7 iterations. iteration 14: trace = 0.1366069809219635 (2.51118e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1366069801728979 (5.48336e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1366069801486565 (1.77453e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1366069801469442 (1.25345e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 0.1366069801444114 (1.85406e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 0.1366069801394009 (3.6678e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 0.1366069801387251 (4.94739e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 0.1366069801387 (1.8347e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 elapsed time for k point: 0.012226104736328125 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1288477330212029 (10.0415% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1283196778719535 (0.41067% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1283049547472065 (0.0114744% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1283044898205979 (0.000362361% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1283044779202521 (9.27508e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1283044775632081 (2.78279e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1283044775566784 (5.08924e-09% change) linmin: converged after 12 iterations. iteration 8: trace = 0.1283044775564042 (2.13687e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1283044775563505 (4.18591e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 elapsed time for k point: 0.005120515823364258 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1253721759990562 (8.44741% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1250731667431224 (0.238782% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1250655728028864 (0.00607178% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1250652918569694 (0.000224639% change) linmin: converged after 24 iterations. iteration 5: trace = 0.1250652868137379 (4.03248e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1250652866511762 (1.29981e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1250652866473551 (3.05531e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1250652866471705 (1.47605e-10% change) linmin: converged after 7 iterations. iteration 9: trace = 0.125065286647159 (9.16566e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 elapsed time for k point: 0.005042314529418945 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1294353344754178 (8.78986% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1287958675499608 (0.495267% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1287444978499471 (0.0398925% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1287432352198245 (0.00098073% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1287431529997959 (6.38636e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1287431505713914 (1.88624e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1287431504657529 (8.20537e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1287431504623983 (2.60558e-09% change) linmin: converged after 6 iterations. iteration 9: trace = 0.1287431504622696 (9.99901e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 elapsed time for k point: 0.005010128021240234 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1366524581132343 (4.3465% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1330957028213662 (2.63709% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1326683867029226 (0.321576% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1326585108523264 (0.00744429% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1326532168393765 (0.00399079% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326529644658705 (0.000190251% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1326529514655156 (9.80028e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1326529455152222 (4.48561e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1326529452762264 (1.80166e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 0.1326529452646071 (8.75921e-09% change) linmin: converged after 7 iterations. iteration 11: trace = 0.1326529452610045 (2.71582e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1326529452608697 (1.01562e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1326529452608119 (4.36045e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 elapsed time for k point: 0.003545999526977539 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2186225691051753 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474916 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458684 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2186225691051753) to band 2 (0.25999614437474916), 17.288741164655384% total elapsed time for run: 0.0966486930847168 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.194427, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0008914470672607422 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 0.6549253906200143 (198.431% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3091275545744975 (71.7383% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3021663145641905 (2.27754% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3010091523576726 (0.38369% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2989636350397318 (0.68187% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2983048314779293 (0.220606% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2982588060176778 (0.0154302% change) linmin: converged after 3 iterations. iteration 8: trace = 0.298256042683861 (0.000926493% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2982542423263998 (0.00060363% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2982522951543164 (0.000652859% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2982519775108616 (0.000106502% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2982519598579505 (5.91879e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2982519583456514 (5.07054e-07% change) linmin: converged after 15 iterations. iteration 14: trace = 0.2982519560571799 (7.67295e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2982519551981037 (2.88037e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 0.2982519551550086 (1.44492e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 0.2982519551524458 (8.59287e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 0.2982519551507772 (5.59445e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 0.2982519551491578 (5.42991e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2982519551490034 (5.17418e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.005338430404663086 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2966250315366553 (4.81134% change) linmin: converged after 6 iterations. iteration 2: trace = 0.2810412199538802 (5.39544% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2797075559501458 (0.475673% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2796368858730388 (0.0252689% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2796049788771749 (0.0114108% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2795924192270245 (0.00449203% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2795912768509242 (0.000408587% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2795911968916416 (2.85986e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2795911512747801 (1.63156e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2795911392192883 (4.31183e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.279591138056747 (4.158e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2795911379221785 (4.81304e-08% change) linmin: converged after 27 iterations. iteration 13: trace = 0.2795911378697254 (1.87606e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 0.2795911378501708 (6.99401e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2795911378480385 (7.62667e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2795911378478668 (6.13898e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 elapsed time for k point: 0.008642911911010742 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.262285041991294 (3.26212% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2613364588441809 (0.362316% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2611888623243493 (0.0564935% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2611845433419114 (0.0016536% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2611842511623715 (0.000111867% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2611842413682735 (3.74988e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 0.261184240987902 (1.45633e-07% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2611842409520096 (1.37422e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2611842409471598 (1.85689e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2611842409470008 (6.08704e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 elapsed time for k point: 0.0055119991302490234 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2495890152828732 (3.71776% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2491349626349514 (0.182086% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2491001185963264 (0.013987% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2490994092373555 (0.000284769% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2490993783901632 (1.23835e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.2490993774714976 (3.68795e-07% change) linmin: converged after 17 iterations. iteration 7: trace = 0.2490993774413398 (1.21067e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2490993774400472 (5.18911e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2490993774400128 (1.37943e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 elapsed time for k point: 0.005179643630981445 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2427649179615225 (4.12003% change) linmin: converged after 4 iterations. iteration 2: trace = 0.242459580028427 (0.125854% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2424461076700271 (0.00555669% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2424457235513505 (0.000158435% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2424457147102562 (3.64663e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2424457144963569 (8.82257e-08% change) linmin: converged after 8 iterations. iteration 7: trace = 0.2424457144901444 (2.56241e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.242445714489984 (6.61589e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 elapsed time for k point: 0.004518270492553711 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2406037838644215 (4.34726% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2403528913598912 (0.104331% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2403446058300958 (0.00344729% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2403442785818099 (0.000136158% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2403442726085168 (2.48531e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2403442724382664 (7.08361e-08% change) linmin: converged after 7 iterations. iteration 7: trace = 0.2403442724330158 (2.1846e-09% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2403442724329466 (2.88129e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 elapsed time for k point: 0.004502058029174805 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2478650541659824 (0.665976% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2478153067195069 (0.0200724% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2478136011813217 (0.000688232% change) linmin: converged after 9 iterations. iteration 4: trace = 0.2478135705407395 (1.23644e-05% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2478135698495617 (2.7891e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.247813569828165 (8.63421e-09% change) linmin: converged after 14 iterations. iteration 7: trace = 0.2478135698278286 (1.35724e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2478135698278218 (2.76645e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 elapsed time for k point: 0.0045092105865478516 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2689523558126344 (1.15158% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2687965094237142 (0.0579625% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2687923010456907 (0.00156565% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2687921865479118 (4.25971e-05% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2687921840676181 (9.22755e-07% change) linmin: converged after 16 iterations. iteration 6: trace = 0.2687921840087602 (2.18972e-08% change) linmin: converged after 10 iterations. iteration 7: trace = 0.2687921840070877 (6.22226e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2687921840070467 (1.52412e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 elapsed time for k point: 0.00453495979309082 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2988641621313887 (2.11503% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2984227993488109 (0.147789% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2984110530872358 (0.00393619% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2984106728909142 (0.000127407% change) linmin: converged after 8 iterations. iteration 5: trace = 0.2984106621553148 (3.59759e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.298410661911048 (8.18559e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2984106619038381 (2.4161e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2984106619036122 (7.56926e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 elapsed time for k point: 0.004506349563598633 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3278879623914513 (3.57107% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3268031317976849 (0.331402% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3267703883056816 (0.0100198% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3267691490121234 (0.000379256% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3267691042855297 (1.36875e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.3267691033363587 (2.90471e-07% change) linmin: converged after 20 iterations. iteration 7: trace = 0.3267691033112133 (7.69517e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3267691033102657 (2.89983e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3267691033102509 (4.51878e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 elapsed time for k point: 0.005032539367675781 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3410949974631013 (5.35228% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3391984614179793 (0.557564% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3391366043905772 (0.0182379% change) linmin: converged after 4 iterations. iteration 4: trace = 0.339134207757369 (0.000706689% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3391341108700711 (2.8569e-05% change) linmin: converged after 13 iterations. iteration 6: trace = 0.3391341089176967 (5.75694e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3391341088659968 (1.52447e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3391341088634661 (7.46223e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3391341088633691 (2.85958e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 elapsed time for k point: 0.005043983459472656 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3320175035443904 (7.19666% change) linmin: converged after 5 iterations. iteration 2: trace = 0.32885221764261 (0.957915% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3263796244791458 (0.754723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.3219901164799807 (1.35401% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3215485300393172 (0.137237% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3215259880095883 (0.00701071% change) linmin: converged after 4 iterations. iteration 7: trace = 0.321524056913301 (0.000600605% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3215211961989128 (0.00088974% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3215198890578126 (0.00040655% change) linmin: converged after 5 iterations. iteration 10: trace = 0.3215197879153993 (3.14576e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.3215197847617491 (9.80857e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 0.3215197841679537 (1.84684e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.321519783062564 (3.43801e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 0.321519782785553 (8.61567e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 0.3215197827696911 (4.93344e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 0.3215197827690932 (1.85947e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.3215197827688706 (6.92336e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 elapsed time for k point: 0.009060382843017578 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2914724979423134 (6.31106% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2901669297397642 (0.448927% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2901228936895049 (0.0151773% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2901214428380559 (0.000500083% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2901214024217765 (1.39308e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2901214014190728 (3.45615e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2901214013741388 (1.5488e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2901214013724249 (5.90755e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2901214013723648 (2.07219e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 elapsed time for k point: 0.006026268005371094 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2714938962778228 (4.17227% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2709002793369421 (0.218888% change) linmin: converged after 4 iterations. iteration 3: trace = 0.270862840327649 (0.0138212% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2708607902378602 (0.000756877% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2708607279884342 (2.29821e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2708607259652259 (7.46955e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2708607258906749 (2.75237e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2708607258855507 (1.89183e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2708607258851874 (1.34136e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 0.2708607258851711 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 elapsed time for k point: 0.005572319030761719 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.275727883707746 (3.37811% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2752294374122133 (0.180938% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2751077523722808 (0.044222% change) linmin: converged after 4 iterations. iteration 4: trace = 0.275094762042982 (0.00472202% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2750943791629711 (0.000139181% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2750943682465168 (3.96826e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.275094367781892 (1.68897e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 0.275094367703044 (2.86622e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2750943676888276 (5.16783e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 0.2750943676881246 (2.55546e-10% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2750943676881146 (3.63221e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 elapsed time for k point: 0.014189958572387695 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3063507184996812 (2.00508% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031319400186664 (1.05623% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2988994850147804 (1.40606% change) linmin: converged after 8 iterations. iteration 4: trace = 0.2982983429994932 (0.201321% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2982585418778202 (0.0133436% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2982566127600081 (0.000646796% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982536607041398 (0.000989775% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2982520309344616 (0.000546439% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2982519600533238 (2.37655e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2982519569354715 (1.04538e-06% change) linmin: converged after 7 iterations. iteration 11: trace = 0.2982519563685401 (1.90085e-07% change) linmin: converged after 16 iterations. iteration 12: trace = 0.2982519553645638 (3.3662e-07% change) linmin: converged after 10 iterations. iteration 13: trace = 0.2982519551600099 (6.85843e-08% change) linmin: converged after 22 iterations. iteration 14: trace = 0.2982519551499672 (3.36716e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2982519551494953 (1.58241e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2982519551492224 (9.14974e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.008444547653198242 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856945 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943924 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610293 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856945) to band 2 (0.42411505161943924), 39.1000855456212% total elapsed time for run: 0.10220575332641602 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.161094, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009212493896484375 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 0.8865138653874612 (197.906% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3200046970003622 (93.9081% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3068086580978387 (4.21052% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3030326413122449 (1.23836% change) linmin: converged after 3 iterations. iteration 5: trace = 0.3026141893486451 (0.138183% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3025973435560046 (0.00556691% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3025960087856283 (0.000441105% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025957149074368 (9.7119e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3025956971360175 (5.87299e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 0.3025956960690346 (3.5261e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 0.3025956959599987 (3.60335e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959421134 (5.91063e-09% change) linmin: converged after 7 iterations. iteration 13: trace = 0.3025956959407101 (4.63743e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 0.3025956959406486 (2.03262e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 elapsed time for k point: 0.011965036392211914 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.304694850544768 (3.77829% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3012169493975252 (1.14799% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3009374600602785 (0.0928298% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3009299252030405 (0.00250383% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3009297396741477 (6.16519e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.30092972116028 (6.15222e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3009297179658467 (1.06152e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3009297177077819 (8.57558e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3009297177020471 (1.90569e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3009297177018309 (7.18493e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 elapsed time for k point: 0.01374506950378418 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2993772621931762 (4.06065% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2971754981861197 (0.738162% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2969647758505132 (0.0709335% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2969599541881608 (0.00162366% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2969598407822387 (3.8189e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2969598364647942 (1.45388e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2969598362066004 (8.69457e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.296959836184407 (7.47356e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2969598361819389 (8.31116e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2969598361818409 (3.30121e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 elapsed time for k point: 0.009706258773803711 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2938435215784341 (4.30612% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2927441839095635 (0.374825% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2926467105733512 (0.033302% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2926449733559747 (0.000593624% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2926449193562999 (1.84523e-05% change) linmin: converged after 13 iterations. iteration 6: trace = 0.292644917689337 (5.6962e-07% change) linmin: converged after 35 iterations. iteration 7: trace = 0.2926449175856842 (3.54193e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2926449175810242 (1.59239e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2926449175807107 (1.07136e-10% change) linmin: converged after 17 iterations. iteration 10: trace = 0.2926449175807007 (3.41438e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 elapsed time for k point: 0.013710260391235352 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2901150873109321 (4.44251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2895449449297268 (0.196716% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2895150953299019 (0.0103097% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2895144114344814 (0.000236221% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2895143963165008 (5.22184e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2895143959258291 (1.3494e-07% change) linmin: converged after 19 iterations. iteration 7: trace = 0.2895143959126527 (4.55123e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2895143959121476 (1.74463e-10% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2895143959121311 (5.67547e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 elapsed time for k point: 0.013201475143432617 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.288803400262168 (4.49556% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2883971863650514 (0.140753% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2883890967942879 (0.00280505% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2883886834700361 (0.000143322% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2883886769569957 (2.25842e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2883886767783875 (6.19331e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2883886767738498 (1.57349e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2883886767737718 (2.70252e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 elapsed time for k point: 0.012670040130615234 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2982501673194342 (0.506108% change) linmin: converged after 3 iterations. iteration 2: trace = 0.2982104738003746 (0.0133097% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2982086460163033 (0.000612919% change) linmin: converged after 23 iterations. iteration 4: trace = 0.2982086207857152 (8.46072e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2982086197260261 (3.55352e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.298208619695097 (1.03716e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2982086196943675 (2.44637e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982086196943483 (6.44075e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 elapsed time for k point: 0.004538536071777344 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3266367774016526 (0.830279% change) linmin: converged after 3 iterations. iteration 2: trace = 0.3265044430836116 (0.0405224% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3264980604168627 (0.00195487% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3264979266586152 (4.09676e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3264979229973254 (1.12138e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3264979228246051 (5.29009e-08% change) linmin: converged after 15 iterations. iteration 7: trace = 0.3264979228224313 (6.65798e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3264979228223415 (2.75092e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 elapsed time for k point: 0.01265096664428711 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.3695365223764 (1.48558% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3690894962296903 (0.121043% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3690670482003574 (0.00608219% change) linmin: converged after 9 iterations. iteration 4: trace = 0.369066437746191 (0.000165405% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3690664179900577 (5.353e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3690664173327335 (1.78105e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3690664173183388 (3.9003e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3690664173180317 (8.32066e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 elapsed time for k point: 0.008687257766723633 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.4173499292601254 (2.62841% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4156434788169446 (0.409715% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4155485977073974 (0.0228301% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4155449430743093 (0.000879476% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4155448032643572 (3.3645e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4155448000759097 (7.67293e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4155447999425277 (3.20981e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4155447999216207 (5.03121e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4155447999210303 (1.42083e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.4155447999210046 (6.19841e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 elapsed time for k point: 0.013699769973754883 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.4460423269353659 (5.07015% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4401376357000977 (1.33262% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4398345567490911 (0.0688838% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4398187039759408 (0.00360432% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4398182310628918 (0.000107525% change) linmin: converged after 3 iterations. iteration 6: trace = 0.4398182203781182 (2.42936e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4398182200041564 (8.50264e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.4398182199097659 (2.14613e-08% change) linmin: converged after 6 iterations. iteration 9: trace = 0.4398182199058903 (8.81187e-10% change) linmin: converged after 5 iterations. iteration 10: trace = 0.4398182199057518 (3.14904e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 elapsed time for k point: 0.013698577880859375 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4254304940104555 (7.90763% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4154061158898801 (2.38438% change) linmin: converged after 5 iterations. iteration 3: trace = 0.4086474339536491 (1.64035% change) linmin: converged after 5 iterations. iteration 4: trace = 0.4030720876492543 (1.37371% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4025050595480553 (0.140776% change) linmin: converged after 4 iterations. iteration 6: trace = 0.4024773504470213 (0.0068844% change) linmin: converged after 3 iterations. iteration 7: trace = 0.4024758244070205 (0.000379162% change) linmin: converged after 4 iterations. iteration 8: trace = 0.4024756354882399 (4.69392e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 0.40247550442241 (3.25649e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 0.4024754425634778 (1.53696e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.4024754386798522 (9.64935e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 0.4024754384625262 (5.39973e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 0.4024754384481776 (3.56508e-09% change) linmin: converged after 7 iterations. iteration 14: trace = 0.4024754384464003 (4.41592e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 0.4024754384452956 (2.74483e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.4024754384447274 (1.41166e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.4024754384446911 (9.03404e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 elapsed time for k point: 0.021364450454711914 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3494947013271267 (5.04145% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3477682141916972 (0.495218% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3476951474265371 (0.0210124% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3476919810771725 (0.000910672% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3476919224042099 (1.6875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3476919188690358 (1.01675e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3476919187143103 (4.45008e-08% change) linmin: converged after 18 iterations. iteration 8: trace = 0.3476919187046027 (2.792e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3476919187043958 (5.95198e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 elapsed time for k point: 0.013203620910644531 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.313674462678804 (3.55049% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3125395680681952 (0.362462% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3124731771050028 (0.0212447% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3124702465943586 (0.000937848% change) linmin: converged after 11 iterations. iteration 5: trace = 0.3124701893749383 (1.8312e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3124701860944269 (1.04986e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3124701859365773 (5.05167e-08% change) linmin: converged after 18 iterations. iteration 8: trace = 0.3124701859237748 (4.09718e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3124701859233402 (1.39084e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.312470185923318 (7.10611e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 elapsed time for k point: 0.009680509567260742 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3038101253174502 (3.91494% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3016593346553426 (0.710454% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3014471622741597 (0.0703598% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3014388140917271 (0.00276941% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3014386435309352 (5.65822e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3014386380615977 (1.81441e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3014386378123752 (8.26777e-08% change) linmin: converged after 8 iterations. iteration 8: trace = 0.3014386377980788 (4.74274e-09% change) linmin: converged after 10 iterations. iteration 9: trace = 0.3014386377957531 (7.71532e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3014386377955977 (5.15631e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 elapsed time for k point: 0.013715267181396484 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3082775823540669 (5.57215% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031076120438354 (1.69123% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3026170118071226 (0.161988% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3025983731804747 (0.00615934% change) linmin: converged after 4 iterations. iteration 5: trace = 0.302596172251638 (0.000727346% change) linmin: converged after 5 iterations. iteration 6: trace = 0.302595719263861 (0.000149701% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3025956975678885 (7.16995e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025956961202268 (4.78414e-07% change) linmin: converged after 29 iterations. iteration 9: trace = 0.3025956959692822 (4.98833e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 0.30259569594187 (9.05901e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 0.3025956959407161 (3.81337e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 0.3025956959406537 (2.06198e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 .elapsed time for k point: 0.011398553848266602 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232155 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4615121898996919 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819286 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232155) to band 2 (0.4615121898996919), 36.990024869608185% total elapsed time for run: 0.19947147369384766 done /tmp/meepuUBjUW/test_maximize_first_tm_gap-0: 0.50s /tmp/meepuUBjUW/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001338958740234375 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3240694999694824 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.913104772567749 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.19615745544433594 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.18488764762878418 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.12141656875610352 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1437206268310547 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11137628555297852 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09296488761901855 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08104062080383301 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0773618221282959 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07737421989440918 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.061409950256347656 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07114863395690918 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09657883644104004 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11348247528076172 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2550060749053955 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.9235994815826416 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014202594757080078 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.26011013984680176 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9164159297943115 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.19614315032958984 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.18493413925170898 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2100837230682373 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.32992982864379883 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.25017666816711426 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.2102370262145996 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.18495440483093262 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1772308349609375 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.17365193367004395 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.13733458518981934 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.16323328018188477 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.21708369255065918 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.261566162109375 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5744922161102295 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.450175762176514 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 ./tmp/meepuUBjUW/test_multiply_bloch_in_mpb_data-0: 7.46s /tmp/meepuUBjUW/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013430118560791016 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3236110210418701 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9097654819488525 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.19581818580627441 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.18513131141662598 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2099297046661377 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3308703899383545 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.25168275833129883 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.2184441089630127 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.18198442459106445 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.18161535263061523 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.17319536209106445 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.1372230052947998 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.15938925743103027 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.21693730354309082 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2621896266937256 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5792059898376465 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.519505739212036 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 ./tmp/meepuUBjUW/test_multiply_bloch_phase-0: 4.52s /tmp/meepuUBjUW/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.009509086608886719 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.31980466842651367 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9127316474914551 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.1961517333984375 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.18532800674438477 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.20975542068481445 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.33394551277160645 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.24594902992248535 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.2096245288848877 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.18461179733276367 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.17764639854431152 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.176788330078125 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.13309717178344727 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.16304707527160645 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.22080397605895996 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.25720953941345215 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5700221061706543 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.507201671600342 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 .Outputting complex scalar field to /tmp/meepuUBjUW/test_output_charge_density-0-C.k16.b08.te.h5... /tmp/meepuUBjUW/test_output_charge_density-0: 4.52s /tmp/meepuUBjUW/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013887882232666016 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.32374095916748047 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102546, 0.8567435000049364 Outputting fields to /tmp/meepuUBjUW/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069426, 0.5288260557983413 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480439, 0.5288079654922656 D-energy-components:, 1, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195854466, 0.08910010798064814 D-energy-components:, 1, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.000171117688413, 0.4012464930179531 D-energy-components:, 1, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032258794, 0.40125199105710213 D-energy-components:, 1, 8, 0.499992, 0.500008, 0 dpwr:, 8, 1.092820931747629, 0.28720566826326627 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9058427810668945 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272505, 0.04603176933548133 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 dpwr:, 2, 0.551137686974427, 0.8445541870140358 D-energy-components:, 2, 3, 0.219526, 0.780474, 0 dpwr:, 3, 0.7615997355586388, 0.4427396122607623 D-energy-components:, 2, 4, 0.779994, 0.220006, 0 dpwr:, 4, 0.7746821846144919, 0.5367491123449687 D-energy-components:, 2, 5, 0.333449, 0.666551, 0 dpwr:, 5, 0.9071987086409541, 0.3120181983347261 D-energy-components:, 2, 6, 0.881419, 0.118581, 0 dpwr:, 6, 1.001877952940223, 0.389133392897093 D-energy-components:, 2, 7, 0.392233, 0.607767, 0 dpwr:, 7, 1.0035701586968402, 0.27762088392887485 D-energy-components:, 2, 8, 0.507954, 0.492046, 0 dpwr:, 8, 1.1020906511633553, 0.6676492387496954 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.20392346382141113 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.17869200446402672, 0.05442207264059689 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 dpwr:, 2, 0.5448958802776009, 0.7942737936904464 D-energy-components:, 3, 3, 0.23103, 0.76897, 0 dpwr:, 3, 0.7285335884676534, 0.3007717411390054 D-energy-components:, 3, 4, 0.758854, 0.241146, 0 dpwr:, 4, 0.7785279987553604, 0.5586605740266591 D-energy-components:, 3, 5, 0.240477, 0.759523, 0 dpwr:, 5, 0.8802435456076878, 0.5941655354344233 D-energy-components:, 3, 6, 0.863785, 0.136215, 0 dpwr:, 6, 1.0069870419364997, 0.3547233907515459 D-energy-components:, 3, 7, 0.585239, 0.414761, 0 dpwr:, 7, 1.0169614533587052, 0.21322445865289832 D-energy-components:, 3, 8, 0.535346, 0.464654, 0 dpwr:, 8, 1.1002742200343298, 0.623265498628933 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.1850757598876953 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.26579760671574704, 0.07189021129298956 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 dpwr:, 2, 0.528175580889728, 0.6596795148910986 D-energy-components:, 4, 3, 0.27068, 0.72932, 0 dpwr:, 3, 0.6854491685263079, 0.3005421253041571 D-energy-components:, 4, 4, 0.732284, 0.267716, 0 dpwr:, 4, 0.783377431811592, 0.5880663066200458 D-energy-components:, 4, 5, 0.261431, 0.738569, 0 dpwr:, 5, 0.8607144514828621, 0.7295588531345849 D-energy-components:, 4, 6, 0.829353, 0.170647, 0 dpwr:, 6, 1.015152030425295, 0.30554099772434606 D-energy-components:, 4, 7, 0.603026, 0.396974, 0 dpwr:, 7, 1.0384314734879103, 0.24673894341648736 D-energy-components:, 4, 8, 0.592482, 0.407518, 0 dpwr:, 8, 1.0966392149656101, 0.5396650770126294 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.21778202056884766 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452583, 0.10384524472299073 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 dpwr:, 2, 0.490738447617832, 0.4356739544080347 D-energy-components:, 5, 3, 0.351613, 0.648387, 0 dpwr:, 3, 0.6527974478809139, 0.4481425123507 D-energy-components:, 5, 4, 0.710454, 0.289546, 0 dpwr:, 4, 0.7873816318426072, 0.6139011766780409 D-energy-components:, 5, 5, 0.295332, 0.704668, 0 dpwr:, 5, 0.8499993146942633, 0.7699338908264387 D-energy-components:, 5, 6, 0.77736, 0.22264, 0 dpwr:, 6, 1.024429460878491, 0.2578911955076916 D-energy-components:, 5, 7, 0.546257, 0.453743, 0 dpwr:, 7, 1.0644076666285343, 0.3322131408251663 D-energy-components:, 5, 8, 0.681176, 0.318824, 0 dpwr:, 8, 1.0912080621155025, 0.432931740401934 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.32985520362854004 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654536, 0.08603996686495279 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 dpwr:, 2, 0.4415884497225444, 0.3584484766510359 D-energy-components:, 6, 3, 0.391615, 0.608385, 0 dpwr:, 3, 0.6419977365450051, 0.5328472337342331 D-energy-components:, 6, 4, 0.702039, 0.297961, 0 dpwr:, 4, 0.7889329895481019, 0.6242704622253022 D-energy-components:, 6, 5, 0.308697, 0.691303, 0 dpwr:, 5, 0.8465878695825275, 0.7771267587548936 D-energy-components:, 6, 6, 0.742736, 0.257264, 0 dpwr:, 6, 1.0291597050650207, 0.2368121142822689 D-energy-components:, 6, 7, 0.350801, 0.649199, 0 dpwr:, 7, 1.086072932359417, 0.5782428834882117 D-energy-components:, 6, 8, 0.737396, 0.262604, 0 dpwr:, 8, 1.0878689635052696, 0.3795081622229656 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.24211454391479492 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.4237414613237853, 0.08405292712306052 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 dpwr:, 2, 0.44578070370980216, 0.37490215610134964 D-energy-components:, 7, 3, 0.394034, 0.605966, 0 dpwr:, 3, 0.6382302673378553, 0.508227094763859 D-energy-components:, 7, 4, 0.691881, 0.308119, 0 dpwr:, 4, 0.7931468861820258, 0.6251503072194667 D-energy-components:, 7, 5, 0.335703, 0.664297, 0 dpwr:, 5, 0.8429434922386815, 0.7355775624966431 D-energy-components:, 7, 6, 0.716117, 0.283883, 0 dpwr:, 6, 0.9865231609182584, 0.18697860289998966 D-energy-components:, 7, 7, 0.592896, 0.407104, 0 dpwr:, 7, 1.0501755817174658, 0.4077764093960339 D-energy-components:, 7, 8, 0.507261, 0.492739, 0 dpwr:, 8, 1.1038343097294325, 0.6404816835444186 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.20987868309020996 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.4547812725154716, 0.08020083733746218 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 dpwr:, 2, 0.4574339768574993, 0.42543224668170315 D-energy-components:, 8, 3, 0.39346, 0.60654, 0 dpwr:, 3, 0.6278984163475767, 0.43806479968572104 D-energy-components:, 8, 4, 0.668133, 0.331867, 0 dpwr:, 4, 0.8052541518094462, 0.6230094255563579 D-energy-components:, 8, 5, 0.454908, 0.545092, 0 dpwr:, 5, 0.8261006682422064, 0.5373015422282856 D-energy-components:, 8, 6, 0.562281, 0.437719, 0 dpwr:, 6, 0.927944859792419, 0.35266364984631754 D-energy-components:, 8, 7, 0.614808, 0.385192, 0 dpwr:, 7, 1.0045628522255505, 0.42073899377174034 D-energy-components:, 8, 8, 0.497393, 0.502607, 0 dpwr:, 8, 1.108792554315, 0.7279717672398118 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.1847541332244873 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.47376659593612236, 0.5125827722134951 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 dpwr:, 2, 0.5012788429465528, 0.07946478028058172 D-energy-components:, 9, 3, 0.37582, 0.62418, 0 dpwr:, 3, 0.6135801757468698, 0.3288116237040682 D-energy-components:, 9, 4, 0.604014, 0.395986, 0 dpwr:, 4, 0.7814668693238181, 0.22327322644032324 D-energy-components:, 9, 5, 0.642263, 0.357737, 0 dpwr:, 5, 0.8241814443502156, 0.6095695047986233 D-energy-components:, 9, 6, 0.357719, 0.642281, 0 dpwr:, 6, 0.8949492139663714, 0.6540286383381512 D-energy-components:, 9, 7, 0.617321, 0.382679, 0 dpwr:, 7, 0.9590511572130652, 0.46189058607300787 D-energy-components:, 9, 8, 0.497742, 0.502258, 0 dpwr:, 8, 1.1106978152214078, 0.7615498171458284 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.17324256896972656 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371615308 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 dpwr:, 2, 0.5560451343598191, 0.0903499596303509 D-energy-components:, 10, 3, 0.336621, 0.663379, 0 dpwr:, 3, 0.5995699405207225, 0.19597806182919142 D-energy-components:, 10, 4, 0.593365, 0.406635, 0 dpwr:, 4, 0.7196106755137285, 0.08289042691568235 D-energy-components:, 10, 5, 0.620299, 0.379701, 0 dpwr:, 5, 0.8492467967258347, 0.5777971969564293 D-energy-components:, 10, 6, 0.283543, 0.716457, 0 dpwr:, 6, 0.8843373771777039, 0.7772986149184443 D-energy-components:, 10, 7, 0.618314, 0.381686, 0 dpwr:, 7, 0.9171675057709648, 0.5159863025112328 D-energy-components:, 10, 8, 0.499316, 0.500684, 0 dpwr:, 8, 1.1116210575363994, 0.7756611032715236 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.17291808128356934 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.4968358647448986, 0.6986360262353926 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 dpwr:, 2, 0.5931405141160886, 0.11965861786804133 D-energy-components:, 11, 3, 0.509591, 0.490409, 0 dpwr:, 3, 0.5931535863117833, 0.11954218308176906 D-energy-components:, 11, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.6791690130757021, 0.026633379719866956 D-energy-components:, 11, 5, 0.5, 0.5, 0 dpwr:, 5, 0.8786838141604552, 0.2997497622839382 D-energy-components:, 11, 6, 0.362, 0.638, 0 dpwr:, 6, 0.881977091666069, 0.8023568424744697 D-energy-components:, 11, 7, 0.638005, 0.361995, 0 dpwr:, 7, 0.8819818134421863, 0.8023816357258053 D-energy-components:, 11, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1119173707556913, 0.7797381408707402 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.13279008865356445 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434172, 0.41845731017621085 D-energy-components:, 12, 2, 0.5, 0.5, 0 dpwr:, 2, 0.5460026488335807, 0.3658958857129391 D-energy-components:, 12, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6067323336356549, 0.12560615204419626 D-energy-components:, 12, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.7436021910476279, 0.11295231544330911 D-energy-components:, 12, 5, 0.499995, 0.500005, 0 dpwr:, 5, 0.8392225951317908, 0.573850559806543 D-energy-components:, 12, 6, 0.500004, 0.499996, 0 dpwr:, 6, 0.8822539391893133, 0.7904020720470326 D-energy-components:, 12, 7, 0.500006, 0.499994, 0 dpwr:, 7, 0.9369700961990083, 0.4818498954987373 D-energy-components:, 12, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1112079237958836, 0.77061008284024 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1595919132232666 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290166, 0.1223740833813474 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 dpwr:, 2, 0.5361862884392886, 0.6769327340989899 D-energy-components:, 13, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6445723178214436, 0.15055644500912893 D-energy-components:, 13, 4, 0.499998, 0.500002, 0 dpwr:, 4, 0.8096891551677099, 0.5562411649880867 D-energy-components:, 13, 5, 0.499996, 0.500004, 0 dpwr:, 5, 0.825804393421293, 0.2464350024546788 D-energy-components:, 13, 6, 0.500008, 0.499992, 0 dpwr:, 6, 0.8836423042160464, 0.7471141728536403 D-energy-components:, 13, 7, 0.5, 0.5, 0 dpwr:, 7, 1.010203217330907, 0.38074698867754087 D-energy-components:, 13, 8, 0.5, 0.5, 0 dpwr:, 8, 1.107251471986555, 0.7236183032339155 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.22094297409057617 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988460781 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5428871357208418, 0.776089779273674 D-energy-components:, 14, 3, 0.500001, 0.499999, 0 dpwr:, 3, 0.6980810670314974, 0.22096216698502874 D-energy-components:, 14, 4, 0.5, 0.5, 0 dpwr:, 4, 0.7893713580516234, 0.5549181091414706 D-energy-components:, 14, 5, 0.499969, 0.500031, 0 dpwr:, 5, 0.8884826102636717, 0.6405660798559313 D-energy-components:, 14, 6, 0.500033, 0.499967, 0 dpwr:, 6, 0.8978578700405546, 0.3162262953638465 D-energy-components:, 14, 7, 0.499994, 0.500006, 0 dpwr:, 7, 1.078841340829401, 0.46522856191784423 D-energy-components:, 14, 8, 0.500005, 0.499995, 0 dpwr:, 8, 1.0903856458796717, 0.5462861490109712 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2621278762817383 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469342, 0.047952797703298834 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5499075072904045, 0.8350614780733144 D-energy-components:, 15, 3, 0.499999, 0.500001, 0 dpwr:, 3, 0.7503777100615932, 0.3870295603731526 D-energy-components:, 15, 4, 0.500004, 0.499996, 0 dpwr:, 4, 0.7772608508874288, 0.5369475337156477 D-energy-components:, 15, 5, 0.499997, 0.500003, 0 dpwr:, 5, 0.9030590134928069, 0.3906213130756244 D-energy-components:, 15, 6, 0.500003, 0.499997, 0 dpwr:, 6, 0.9619844143351223, 0.3640423032025699 D-energy-components:, 15, 7, 0.500001, 0.499999, 0 dpwr:, 7, 1.041906497274037, 0.3229108453858703 D-energy-components:, 15, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.100036744786668, 0.648922709694379 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5786910057067871 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101995, 0.8567434642230597 Outputting fields to /tmp/meepuUBjUW/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069766, 0.528826082855366 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480536, 0.5288079685695205 D-energy-components:, 16, 5, 0.5, 0.5, 0 dpwr:, 5, 0.922996519585588, 0.08910054416430166 D-energy-components:, 16, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.0001711176882835, 0.40124662932601907 D-energy-components:, 16, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.000172003225706, 0.4012520176859986 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 .dpwr:, 8, 1.0928209317478468, 0.2872053790863704 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.620671510696411 done /tmp/meepuUBjUW/test_output_dpwr_in_objects-0: 4.62s /tmp/meepuUBjUW/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.005426883697509766 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 16 iterations. iteration 1: trace = 13.34219610907316 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574134645 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532084566 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674664691 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153594937 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956211726 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820096039 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110536306 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920479 (0.0351352% change) linmin: converged after 6 iterations. iteration 10: trace = 4.381187024151515 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064872483 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652773514 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327479996 (0.0364202% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477119388 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613479035 (0.000911427% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192660378 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731090828 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431190648 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977266439 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547638314 (9.82294e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986616824 (1.28271e-05% change) linmin: converged after 8 iterations. iteration 22: trace = 4.373721450686105 (1.22534e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.373721224632515 (5.16845e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 4.373721180253412 (1.01468e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520035 (1.76815e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.373721170365219 (4.92674e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530104 (1.90939e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 4.373721169259862 (6.17878e-09% change) linmin: converged after 28 iterations. iteration 29: trace = 4.373721169186911 (1.66793e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721169145532 (9.4609e-10% change) linmin: converged after 11 iterations. iteration 31: trace = 4.373721169066987 (1.79584e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966431 (2.2991e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 4.373721168940524 (5.92319e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.373721168933659 (1.56974e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.37372116892797 (1.30067e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 4.373721168920043 (1.81241e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 4.373721168904344 (3.58949e-10% change) large trace change predicted (9.95405e-10%) linmin: converged after 5 iterations. iteration 38: trace = 4.373721168860811 (9.95315e-10% change) large trace change predicted (4.53523e-09%) linmin: converged after 6 iterations. iteration 39: trace = 4.373721168662423 (4.53591e-09% change) large trace change predicted (2.07011e-08%) linmin: converged after 3 iterations. iteration 40: trace = 4.373721167757034 (2.07007e-08% change) large trace change predicted (8.12557e-08%) linmin: converged after 4 iterations. iteration 41: trace = 4.373721164203222 (8.12537e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.37372115830691 (1.34812e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721154436483 (8.84928e-08% change) linmin: converged after 11 iterations. iteration 44: trace = 4.373721151274946 (7.22848e-08% change) large trace change predicted (2.03287e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383832 (2.03285e-07% change) large trace change predicted (4.92802e-07%) linmin: converged after 6 iterations. iteration 46: trace = 4.373721120833393 (4.92725e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 4.37372107793805 (9.80752e-07% change) large trace change predicted (2.055e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988609533 (2.04239e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903699593 (1.94137e-06% change) linmin: converged after 9 iterations. iteration 50: trace = 4.373720867145784 (8.3576e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.37372085603617 (2.54008e-07% change) linmin: converged after 9 iterations. iteration 52: trace = 4.373720853582015 (5.61114e-08% change) linmin: converged after 5 iterations. iteration 53: trace = 4.373720853002698 (1.32454e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 4.373720852585022 (9.54968e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851986538 (1.36836e-08% change) linmin: converged after 8 iterations. iteration 56: trace = 4.373720851520712 (1.06506e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 4.373720851245481 (6.29284e-09% change) linmin: converged after 7 iterations. iteration 58: trace = 4.373720851095249 (3.43487e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044093 (1.16963e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.373720851034473 (2.19947e-10% change) linmin: converged after 5 iterations. iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.3798835277557373 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909575996686 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128641663713 (0.94019% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320136589965 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732191285522 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652316352 (0.028693% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414673696 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.290902808716371 (0.00325348% change) linmin: converged after 6 iterations. iteration 8: trace = 4.2908721193893 (0.000715221% change) linmin: converged after 5 iterations. iteration 9: trace = 4.29086322736101 (0.000207231% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496337257 (8.69528e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035134088 (3.40539e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.290857390244804 (1.50294e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285462815 (2.44198e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271945756 (3.1502e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.290857267538623 (1.0271e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 4.290857264553208 (6.95762e-08% change) linmin: converged after 11 iterations. iteration 17: trace = 4.290857263488306 (2.48179e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.290857263235813 (5.88445e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156709 (1.84354e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.290857263115525 (9.59807e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096176 (4.50935e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085615 (2.46136e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.17344427108764648 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007783039 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336657865 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740783887 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881259739 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170494 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621548 (0.000236877% change) linmin: converged after 20 iterations. iteration 7: trace = 4.208308119593188 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493156 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.2083079596792 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47789e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.208307958537226 (2.35728e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.208307958520758 (3.91314e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.10061430931091309 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019179923 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.15091918802987 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.15050869675084 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631781 (0.00137421% change) linmin: converged after 6 iterations. iteration 5: trace = 4.150445322388979 (0.000152712% change) linmin: converged after 4 iterations. iteration 6: trace = 4.150444374952527 (2.28273e-05% change) linmin: converged after 38 iterations. iteration 7: trace = 4.150444119567911 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145889 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167716 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934402 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836717 (2.35361e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.150444015829235 (1.8027e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.10091423988342285 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812539464 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810314 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.11975343523068 (0.0146599% change) linmin: converged after 12 iterations. iteration 4: trace = 4.119635726773534 (0.00285721% change) linmin: converged after 5 iterations. iteration 5: trace = 4.119609536145701 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815895 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308932 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539519 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763422 (4.31134e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629699 (3.24603e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622139 (1.83496e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.10495638847351074 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244646566 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107313 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166868 (0.0241823% change) linmin: converged after 4 iterations. iteration 4: trace = 4.110889360751742 (0.00728306% change) linmin: converged after 6 iterations. iteration 5: trace = 4.11080703996452 (0.00200253% change) linmin: converged after 7 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801953 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787365 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125225 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910481 (5.38765e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738061 (4.19433e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.110777242727878 (2.47714e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.10103297233581543 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254176 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388635 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449423 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.09948996603966 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533704 (3.67352e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.099489964290493 (5.93271e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.099489964275826 (3.57785e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.08961987495422363 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.08011930367582 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385525 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 4 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245483 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.07945290434498 (1.02711e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.079452897007465 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879314 (2.76545e-08% change) linmin: converged after 5 iterations. iteration 10: trace = 4.079452895806834 (1.7767e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.0942080020904541 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550774 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231338 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 5 iterations. iteration 4: trace = 4.068777004347965 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591241 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.068759282973239 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.068759276139259 (3.34843e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.068759276129624 (2.36803e-10% change) linmin: converged after 17 iterations. iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.0895695686340332 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.08041013089164 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235417 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324658 (0.00232088% change) linmin: converged after 5 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.075526949476022 (7.83823e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.075526949369352 (2.61734e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.075526949350733 (4.56846e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.1081855297088623 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043243 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815202 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549152 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589705 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664407 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982815 (0.00206873% change) linmin: converged after 5 iterations. iteration 7: trace = 4.092151257465511 (0.00014336% change) linmin: converged after 5 iterations. iteration 8: trace = 4.0921506669632 (1.44301e-05% change) linmin: converged after 29 iterations. iteration 9: trace = 4.092150601221075 (1.60654e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.09215044281785 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447509 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87883e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.092150433621977 (1.38522e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.1157228946685791 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496078681969 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161341909401 (0.908868% change) linmin: converged after 5 iterations. iteration 3: trace = 4.060628566573646 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416799578 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154678076 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139224234 (0.011194% change) linmin: converged after 11 iterations. iteration 7: trace = 4.046656969292219 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828279984 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979405 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.04665226257679 (3.4696e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 4.046652203574181 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.04665218541018 (4.48865e-07% change) linmin: converged after 23 iterations. iteration 13: trace = 4.046652183788301 (4.00795e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.046652183683065 (2.60056e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.046652183677345 (1.41348e-10% change) linmin: converged after 16 iterations. iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.1310102939605713 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770394939 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188745 (0.123031% change) linmin: converged after 7 iterations. iteration 3: trace = 4.04457112881917 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705128 (0.0011425% change) linmin: converged after 5 iterations. iteration 5: trace = 4.044514961032788 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485701 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.04451325570943 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.044513236602917 (4.94069e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.044513236418492 (4.55988e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.044513236398149 (5.02974e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.09374856948852539 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840204 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070052 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394074 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532734 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601677 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030414 (2.34771e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.113415260853634 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902214 (2.31297e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.113415259769443 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756536 (3.13778e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.09370541572570801 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668811 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052032 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311717 (0.00157809% change) linmin: converged after 5 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 33 iterations. iteration 9: trace = 4.240749647343285 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492671 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080627 (9.71629e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034733 (1.08221e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.240749642029137 (1.31968e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.10840034484863281 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690654 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122198 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936335 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127845 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382419 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369238089 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462298 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817305982 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398593 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837435 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003573 (0.00173939% change) linmin: converged after 5 iterations. iteration 12: trace = 4.373725631015397 (0.000243499% change) linmin: converged after 4 iterations. iteration 13: trace = 4.373723713248079 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.373723043717632 (1.5308e-05% change) linmin: converged after 9 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078789 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618466 (3.39437e-06% change) large trace change predicted (8.38717e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.373721914772871 (8.38749e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.373721775011068 (3.19549e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750853678 (5.5233e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706459 (1.63413e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721741956021 (4.00217e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.373721741656272 (6.8534e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.37372174151351 (3.26409e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.373721741466444 (1.0761e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 4.373721741452075 (3.28549e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 4.373721741432764 (4.41518e-10% change) large trace change predicted (8.94441e-10%) linmin: converged after 10 iterations. iteration 28: trace = 4.373721741393643 (8.94449e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 4.373721741340017 (1.22611e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.37372174131413 (5.91872e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.37372174130407 (2.29999e-10% change) large trace change predicted (8.8515e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.373721741265362 (8.85026e-10% change) large trace change predicted (1.78977e-09%) linmin: converged after 3 iterations. iteration 33: trace = 4.373721741187082 (1.78977e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 4.373721741036555 (3.44162e-09% change) large trace change predicted (3.16488e-08%) linmin: converged after 4 iterations. iteration 35: trace = 4.373721739652334 (3.16486e-08% change) large trace change predicted (1.81295e-07%) linmin: converged after 4 iterations. iteration 36: trace = 4.373721731723725 (1.81278e-07% change) large trace change predicted (7.42215e-07%) linmin: converged after 4 iterations. iteration 37: trace = 4.373721699293694 (7.41474e-07% change) large trace change predicted (1.81306e-06%) linmin: converged after 7 iterations. iteration 38: trace = 4.373721620557427 (1.80021e-06% change) large trace change predicted (3.99382e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449599707 (3.90875e-06% change) linmin: converged after 16 iterations. iteration 40: trace = 4.373721351488157 (2.24321e-06% change) linmin: converged after 9 iterations. iteration 41: trace = 4.373721289289993 (1.42209e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 4.373721192919876 (2.20339e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721122950544 (1.59977e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.37372102588002 (2.2194e-06% change) linmin: converged after 6 iterations. iteration 45: trace = 4.373720919585161 (2.43031e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 4.373720871332154 (1.10325e-06% change) linmin: converged after 10 iterations. iteration 47: trace = 4.373720860378917 (2.50433e-07% change) linmin: converged after 13 iterations. iteration 48: trace = 4.373720857832792 (5.82142e-08% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720856551008 (2.93065e-08% change) linmin: converged after 4 iterations. iteration 50: trace = 4.373720854512562 (4.66067e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.373720852662255 (4.23051e-08% change) linmin: converged after 18 iterations. iteration 52: trace = 4.373720851889837 (1.76604e-08% change) linmin: converged after 7 iterations. iteration 53: trace = 4.373720851692727 (4.50671e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644104 (1.1117e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851631798 (2.81376e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.37372085162005 (2.68603e-10% change) linmin: converged after 28 iterations. iteration 57: trace = 4.373720851604448 (3.56716e-10% change) linmin: converged after 16 iterations. iteration 58: trace = 4.373720851597927 (1.49095e-10% change) linmin: converged after 16 iterations. iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.37009739875793457 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% total elapsed time for run: 2.261711835861206 done Fixing e-field (band 8) phase by 2.441e-08 + -1i; max ampl. = 1.49941 FOutputting fields to /tmp/meepuUBjUW/test_output_efield_z-0-e.k16.b08.z.tm.h5... /tmp/meepuUBjUW/test_output_efield_z-0: 2.27s /tmp/meepuUBjUW/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001363992691040039 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.32130956649780273 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.896193265914917 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.20318889617919922 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.18032455444335938 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.20909619331359863 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3287925720214844 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.24548125267028809 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.21275091171264648 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.18042922019958496 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.17307758331298828 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.17264628410339355 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.1449134349822998 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1547987461090088 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.22483015060424805 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2488412857055664 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5661966800689697 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.465399265289307 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepuUBjUW/test_output_field_to_file-0-epsilon.h5... /tmp/meepuUBjUW/test_output_field_to_file-0: 4.49s /tmp/meepuUBjUW/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.005502223968505859 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.32121729850769043 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.898043155670166 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.19939351081848145 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.1845264434814453 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.20909500122070312 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3287670612335205 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.24959468841552734 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.20997262001037598 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.18061089515686035 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.17275571823120117 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.18125271797180176 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.13684391975402832 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1582014560699463 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.22072958946228027 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2533748149871826 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.571843147277832 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.482920169830322 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 Outputting /tmp/meepuUBjUW/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 ./tmp/meepuUBjUW/test_output_tot_pwr-0: 4.49s /tmp/meepuUBjUW/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.061944007873535156 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50 Solving for bands 1 to 10... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 0.9773582023559163 (198.958% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3161530410987907 (102.234% change) linmin: converged after 6 iterations. iteration 3: trace = 0.275770780541823 (13.6444% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2578977888964539 (6.69816% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2538047517632808 (1.59977% change) linmin: converged after 5 iterations. iteration 6: trace = 0.252521666448504 (0.506821% change) linmin: converged after 7 iterations. iteration 7: trace = 0.2513324422133906 (0.472051% change) linmin: converged after 5 iterations. iteration 8: trace = 0.250524545611766 (0.321963% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2503563741415212 (0.0671503% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2503392642292798 (0.00683446% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2503364696617258 (0.00111632% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2503356979333106 (0.000308277% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2503350629329613 (0.00025366% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2503346861323358 (0.000150519% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2503342765388505 (0.000163618% change) large trace change predicted (0.000678429%) linmin: converged after 5 iterations. iteration 16: trace = 0.2503325842641612 (0.000676008% change) large trace change predicted (0.00631306%) linmin: converged after 5 iterations. iteration 17: trace = 0.2503200648277745 (0.00500125% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2503038592917609 (0.00647414% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2502978020836445 (0.00241997% change) linmin: converged after 4 iterations. iteration 20: trace = 0.2502965572166423 (0.000497356% change) linmin: converged after 3 iterations. iteration 21: trace = 0.250295870716234 (0.000274275% change) linmin: converged after 5 iterations. iteration 22: trace = 0.2502955615722041 (0.000123512% change) linmin: converged after 5 iterations. iteration 23: trace = 0.2502955228253114 (1.54805e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.2502955176855845 (2.05346e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.2502955170624709 (2.48951e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 0.250295516776108 (1.1441e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.2502955164556004 (1.28052e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.2502955162302424 (9.00368e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.2502955158423098 (1.5499e-07% change) large trace change predicted (7.06242e-07%) linmin: converged after 4 iterations. iteration 30: trace = 0.2502955140746217 (7.0624e-07% change) large trace change predicted (1.92421e-06%) linmin: converged after 5 iterations. iteration 31: trace = 0.2502955092582698 (1.92427e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 0.2502955074678371 (7.15328e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2502955071409597 (1.30597e-07% change) linmin: converged after 5 iterations. iteration 34: trace = 0.2502955070820969 (2.35173e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.2502955070452446 (1.47235e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.2502955070312232 (5.60196e-09% change) linmin: converged after 6 iterations. iteration 37: trace = 0.2502955070289656 (9.01967e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.2502955070287197 (9.82274e-11% change) Finished solving for bands 1 to 10 after 38 iterations. Solving for bands 11 to 20... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 2.764077242282496 (197.059% change) linmin: converged after 9 iterations. iteration 2: trace = 0.7088244637206618 (118.359% change) linmin: converged after 10 iterations. iteration 3: trace = 0.5830461774916993 (19.4723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.5699441115556886 (2.27271% change) linmin: converged after 5 iterations. iteration 5: trace = 0.5601912957140796 (1.72596% change) linmin: converged after 6 iterations. iteration 6: trace = 0.554977005635624 (0.935158% change) linmin: converged after 4 iterations. iteration 7: trace = 0.5536217797509715 (0.244493% change) linmin: converged after 5 iterations. iteration 8: trace = 0.5527881756235467 (0.150686% change) linmin: converged after 5 iterations. iteration 9: trace = 0.5525197785497575 (0.0485651% change) linmin: converged after 5 iterations. iteration 10: trace = 0.5524120847066949 (0.0194933% change) linmin: converged after 5 iterations. iteration 11: trace = 0.5523393402697568 (0.0131694% change) linmin: converged after 4 iterations. iteration 12: trace = 0.5523162607162734 (0.0041786% change) linmin: converged after 5 iterations. iteration 13: trace = 0.5523079347092207 (0.00150748% change) linmin: converged after 6 iterations. iteration 14: trace = 0.5523053045770734 (0.000476209% change) linmin: converged after 5 iterations. iteration 15: trace = 0.5523046348502885 (0.00012126% change) linmin: converged after 5 iterations. iteration 16: trace = 0.5523044939040401 (2.55197e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 0.5523044363704386 (1.0417e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.5523044197503095 (3.00923e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 0.5523044169604693 (5.05127e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 0.5523044161634481 (1.44308e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 0.5523044158163604 (6.28435e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 0.5523044156915484 (2.25984e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 0.5523044156387963 (9.55128e-09% change) linmin: converged after 9 iterations. iteration 24: trace = 0.5523044156091683 (5.36443e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.5523044156002892 (1.60765e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.5523044155970435 (5.87672e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.5523044155956081 (2.59894e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 0.552304415595374 (4.23743e-11% change) Finished solving for bands 11 to 20 after 28 iterations. Solving for bands 21 to 30... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.040666553138821 (194.661% change) linmin: converged after 9 iterations. iteration 2: trace = 1.784736938401247 (95.4062% change) linmin: converged after 5 iterations. iteration 3: trace = 1.523333414368856 (15.804% change) linmin: converged after 5 iterations. iteration 4: trace = 1.441532080001039 (5.51805% change) linmin: converged after 5 iterations. iteration 5: trace = 1.405219437466541 (2.55116% change) linmin: converged after 5 iterations. iteration 6: trace = 1.388014989232303 (1.23187% change) linmin: converged after 5 iterations. iteration 7: trace = 1.376962867982376 (0.799437% change) linmin: converged after 5 iterations. iteration 8: trace = 1.37268195131882 (0.31138% change) linmin: converged after 5 iterations. iteration 9: trace = 1.370878341061495 (0.13148% change) linmin: converged after 4 iterations. iteration 10: trace = 1.370189509318599 (0.0502601% change) linmin: converged after 4 iterations. iteration 11: trace = 1.369866378231612 (0.0235857% change) linmin: converged after 4 iterations. iteration 12: trace = 1.369627804103043 (0.0174174% change) linmin: converged after 4 iterations. iteration 13: trace = 1.369391088200206 (0.0172847% change) linmin: converged after 5 iterations. iteration 14: trace = 1.369169936423073 (0.0161509% change) linmin: converged after 5 iterations. iteration 15: trace = 1.369039043718526 (0.00956046% change) linmin: converged after 4 iterations. iteration 16: trace = 1.36896709991595 (0.0052552% change) linmin: converged after 4 iterations. iteration 17: trace = 1.368919763117032 (0.00345791% change) linmin: converged after 4 iterations. iteration 18: trace = 1.368881565102084 (0.00279042% change) linmin: converged after 5 iterations. iteration 19: trace = 1.368847148217092 (0.00251427% change) linmin: converged after 5 iterations. iteration 20: trace = 1.368816057044509 (0.00227137% change) linmin: converged after 7 iterations. iteration 21: trace = 1.368795335803253 (0.00151382% change) linmin: converged after 6 iterations. iteration 22: trace = 1.368783116283498 (0.000892725% change) linmin: converged after 4 iterations. iteration 23: trace = 1.368774313878865 (0.000643085% change) linmin: converged after 5 iterations. iteration 24: trace = 1.36876702717065 (0.000532354% change) linmin: converged after 7 iterations. iteration 25: trace = 1.368760736433417 (0.000459593% change) linmin: converged after 8 iterations. iteration 26: trace = 1.368755530414703 (0.000380346% change) linmin: converged after 5 iterations. iteration 27: trace = 1.368752119509855 (0.000249198% change) linmin: converged after 5 iterations. iteration 28: trace = 1.368749700078314 (0.000176762% change) linmin: converged after 13 iterations. iteration 29: trace = 1.368747854834259 (0.000134812% change) linmin: converged after 4 iterations. iteration 30: trace = 1.368746241521253 (0.000117868% change) linmin: converged after 5 iterations. iteration 31: trace = 1.368745103675057 (8.31306e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.368744406365467 (5.09452e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.368744106172826 (2.1932e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.36874397809044 (9.35766e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 1.368743922574262 (4.05599e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 1.368743896765322 (1.88559e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 1.368743884092236 (9.25892e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 1.368743877674393 (4.68886e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.368743873564827 (3.00244e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 1.368743870515095 (2.22812e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 1.368743865625254 (3.5725e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 1.368743856077474 (6.97558e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 1.368743837481702 (1.3586e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 1.368743804106323 (2.43839e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.368743762212519 (3.06075e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 1.368743718468747 (3.19591e-06% change) linmin: converged after 5 iterations. iteration 47: trace = 1.368743667116035 (3.75181e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 1.368743567909835 (7.24798e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 1.368743413508752 (1.12805e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 1.368743170382022 (1.77628e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.368742909640436 (1.90497e-05% change) linmin: converged after 6 iterations. iteration 52: trace = 1.368742678084064 (1.69174e-05% change) linmin: converged after 7 iterations. iteration 53: trace = 1.368742429352863 (1.81722e-05% change) linmin: converged after 11 iterations. iteration 54: trace = 1.368741979799262 (3.28443e-05% change) large trace change predicted (7.74578e-05%) linmin: converged after 5 iterations. iteration 55: trace = 1.368740938896419 (7.60482e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 1.368739090064356 (0.000135075% change) linmin: converged after 8 iterations. iteration 57: trace = 1.368737088985244 (0.000146199% change) linmin: converged after 5 iterations. iteration 58: trace = 1.368735675184446 (0.000103292% change) linmin: converged after 8 iterations. iteration 59: trace = 1.36873489139564 (5.72637e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 1.368734383052895 (3.71396e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 1.368733869799367 (3.74984e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 1.368733229784598 (4.67596e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.368732612888608 (4.50706e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 1.368732103624983 (3.7207e-05% change) linmin: converged after 9 iterations. iteration 65: trace = 1.36873178435718 (2.33258e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 1.368731593555578 (1.394e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 1.368731481643516 (8.17633e-06% change) linmin: converged after 5 iterations. iteration 68: trace = 1.368731406757154 (5.47122e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.368731346620766 (4.39359e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.368731326396683 (1.47758e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.368731305812751 (1.50387e-06% change) linmin: converged after 3 iterations. iteration 72: trace = 1.368731292685496 (9.59082e-07% change) linmin: converged after 6 iterations. iteration 73: trace = 1.368731274190961 (1.35122e-06% change) linmin: converged after 2 iterations. iteration 74: trace = 1.36873124683439 (1.99868e-06% change) linmin: converged after 2 iterations. iteration 75: trace = 1.368731222076538 (1.80882e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 1.368731209365183 (9.28696e-07% change) linmin: converged after 2 iterations. iteration 77: trace = 1.368731204980154 (3.20372e-07% change) linmin: converged after 2 iterations. iteration 78: trace = 1.368731202164322 (2.05726e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 1.368731199544978 (1.9137e-07% change) linmin: converged after 2 iterations. iteration 80: trace = 1.368731196862976 (1.95948e-07% change) linmin: converged after 2 iterations. iteration 81: trace = 1.368731195121577 (1.27227e-07% change) linmin: converged after 2 iterations. iteration 82: trace = 1.368731194394966 (5.30864e-08% change) linmin: converged after 2 iterations. iteration 83: trace = 1.368731194038443 (2.60477e-08% change) linmin: converged after 3 iterations. iteration 84: trace = 1.368731193798584 (1.75242e-08% change) linmin: converged after 2 iterations. iteration 85: trace = 1.368731193444766 (2.58501e-08% change) linmin: converged after 2 iterations. iteration 86: trace = 1.368731192939273 (3.69315e-08% change) linmin: converged after 2 iterations. iteration 87: trace = 1.368731192445322 (3.60883e-08% change) linmin: converged after 3 iterations. iteration 88: trace = 1.368731191973515 (3.44704e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 1.3687311914594 (3.75614e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 1.368731190769489 (5.04052e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.368731189492628 (9.32879e-08% change) linmin: converged after 3 iterations. iteration 92: trace = 1.368731187985266 (1.10128e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 1.368731186086125 (1.38752e-07% change) linmin: converged after 6 iterations. iteration 94: trace = 1.36873118302204 (2.23863e-07% change) linmin: converged after 4 iterations. iteration 95: trace = 1.368731177617109 (3.94886e-07% change) large trace change predicted (9.62764e-07%) linmin: converged after 16 iterations. iteration 96: trace = 1.368731164440175 (9.62712e-07% change) large trace change predicted (1.97299e-06%) linmin: converged after 4 iterations. iteration 97: trace = 1.36873113743805 (1.97279e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 1.368731113438422 (1.75342e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 1.368731088527767 (1.81998e-06% change) linmin: converged after 6 iterations. iteration 100: trace = 1.368731069143642 (1.41621e-06% change) linmin: converged after 4 iterations. iteration 101: trace = 1.368731058828905 (7.53599e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 1.368731053231001 (4.08985e-07% change) linmin: converged after 14 iterations. iteration 103: trace = 1.368731050633044 (1.89808e-07% change) linmin: converged after 4 iterations. iteration 104: trace = 1.368731049719111 (6.67723e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 1.368731049381032 (2.47002e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 1.368731049212438 (1.23175e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 1.368731049112461 (7.30433e-09% change) linmin: converged after 5 iterations. iteration 108: trace = 1.368731049041643 (5.17401e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 1.368731048989907 (3.77985e-09% change) linmin: converged after 5 iterations. iteration 110: trace = 1.368731048949556 (2.94805e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 1.368731048927728 (1.59475e-09% change) linmin: converged after 7 iterations. iteration 112: trace = 1.368731048915437 (8.98038e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 1.368731048898766 (1.21795e-09% change) linmin: converged after 5 iterations. iteration 114: trace = 1.368731048867242 (2.3032e-09% change) large trace change predicted (6.63169e-09%) linmin: converged after 4 iterations. iteration 115: trace = 1.368731048776475 (6.63145e-09% change) large trace change predicted (2.53819e-08%) linmin: converged after 4 iterations. iteration 116: trace = 1.368731048429068 (2.53817e-08% change) large trace change predicted (6.62506e-08%) linmin: converged after 7 iterations. iteration 117: trace = 1.368731047522245 (6.62528e-08% change) linmin: converged after 5 iterations. iteration 118: trace = 1.368731045910584 (1.17749e-07% change) linmin: converged after 5 iterations. iteration 119: trace = 1.368731044212744 (1.24045e-07% change) linmin: converged after 4 iterations. iteration 120: trace = 1.368731043116591 (8.00853e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 1.368731041987232 (8.25114e-08% change) large trace change predicted (1.95931e-07%) linmin: converged after 7 iterations. iteration 122: trace = 1.368731039305491 (1.95929e-07% change) large trace change predicted (5.72233e-07%) linmin: converged after 5 iterations. iteration 123: trace = 1.368731031475412 (5.72069e-07% change) large trace change predicted (1.3697e-06%) linmin: converged after 5 iterations. iteration 124: trace = 1.368731012741541 (1.3687e-06% change) linmin: converged after 6 iterations. iteration 125: trace = 1.368730990264535 (1.64218e-06% change) linmin: converged after 8 iterations. iteration 126: trace = 1.368730976167249 (1.02995e-06% change) linmin: converged after 5 iterations. iteration 127: trace = 1.368730969434909 (4.91867e-07% change) linmin: converged after 5 iterations. iteration 128: trace = 1.368730962738434 (4.89247e-07% change) large trace change predicted (1.0363e-06%) linmin: converged after 5 iterations. iteration 129: trace = 1.368730948542338 (1.03717e-06% change) large trace change predicted (2.09757e-06%) linmin: converged after 5 iterations. iteration 130: trace = 1.368730919747172 (2.10379e-06% change) linmin: converged after 5 iterations. iteration 131: trace = 1.368730881719372 (2.77833e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 1.368730850739533 (2.2634e-06% change) linmin: converged after 5 iterations. iteration 133: trace = 1.368730836018361 (1.07553e-06% change) linmin: converged after 6 iterations. iteration 134: trace = 1.368730830348684 (4.14229e-07% change) linmin: converged after 3 iterations. iteration 135: trace = 1.36873082685028 (2.55595e-07% change) linmin: converged after 4 iterations. iteration 136: trace = 1.368730824073477 (2.02874e-07% change) linmin: converged after 5 iterations. iteration 137: trace = 1.368730822419339 (1.20852e-07% change) linmin: converged after 4 iterations. iteration 138: trace = 1.368730821974349 (3.25111e-08% change) linmin: converged after 5 iterations. iteration 139: trace = 1.368730821797337 (1.29325e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 1.36873082173381 (4.64129e-09% change) linmin: converged after 2 iterations. iteration 141: trace = 1.368730821659028 (5.46361e-09% change) linmin: converged after 12 iterations. iteration 142: trace = 1.368730821514677 (1.05463e-08% change) linmin: converged after 2 iterations. iteration 143: trace = 1.36873082127949 (1.71829e-08% change) linmin: converged after 2 iterations. iteration 144: trace = 1.368730821006482 (1.9946e-08% change) linmin: converged after 2 iterations. iteration 145: trace = 1.368730820791103 (1.57356e-08% change) linmin: converged after 3 iterations. iteration 146: trace = 1.368730820664076 (9.28066e-09% change) linmin: converged after 3 iterations. iteration 147: trace = 1.368730820561719 (7.47823e-09% change) linmin: converged after 2 iterations. iteration 148: trace = 1.368730820423973 (1.00638e-08% change) linmin: converged after 2 iterations. iteration 149: trace = 1.368730820282637 (1.0326e-08% change) linmin: converged after 6 iterations. iteration 150: trace = 1.368730820163353 (8.71496e-09% change) linmin: converged after 2 iterations. iteration 151: trace = 1.368730820033991 (9.45121e-09% change) large trace change predicted (1.90732e-08%) linmin: converged after 2 iterations. iteration 152: trace = 1.368730819772934 (1.90729e-08% change) linmin: converged after 2 iterations. iteration 153: trace = 1.368730819301536 (3.44406e-08% change) linmin: converged after 4 iterations. iteration 154: trace = 1.368730818650667 (4.75527e-08% change) linmin: converged after 2 iterations. iteration 155: trace = 1.368730817733782 (6.6988e-08% change) linmin: converged after 8 iterations. iteration 156: trace = 1.368730816601199 (8.27469e-08% change) linmin: converged after 4 iterations. iteration 157: trace = 1.368730814812392 (1.30691e-07% change) linmin: converged after 4 iterations. iteration 158: trace = 1.368730811403355 (2.49066e-07% change) linmin: converged after 7 iterations. iteration 159: trace = 1.368730806806086 (3.35878e-07% change) linmin: converged after 8 iterations. iteration 160: trace = 1.368730803017133 (2.76822e-07% change) linmin: converged after 3 iterations. iteration 161: trace = 1.368730799847216 (2.31595e-07% change) linmin: converged after 11 iterations. iteration 162: trace = 1.368730796328044 (2.57112e-07% change) linmin: converged after 8 iterations. iteration 163: trace = 1.368730793064505 (2.38435e-07% change) linmin: converged after 5 iterations. iteration 164: trace = 1.368730790362386 (1.97418e-07% change) linmin: converged after 3 iterations. iteration 165: trace = 1.36873078878541 (1.15214e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 1.368730787826099 (7.00877e-08% change) linmin: converged after 7 iterations. iteration 167: trace = 1.368730787041913 (5.7293e-08% change) linmin: converged after 5 iterations. iteration 168: trace = 1.368730786327404 (5.22023e-08% change) linmin: converged after 10 iterations. iteration 169: trace = 1.368730785825024 (3.6704e-08% change) linmin: converged after 4 iterations. iteration 170: trace = 1.368730785560769 (1.93066e-08% change) linmin: converged after 4 iterations. iteration 171: trace = 1.368730785470285 (6.6108e-09% change) linmin: converged after 5 iterations. iteration 172: trace = 1.368730785440339 (2.18785e-09% change) linmin: converged after 6 iterations. iteration 173: trace = 1.368730785430635 (7.08963e-10% change) linmin: converged after 3 iterations. iteration 174: trace = 1.368730785427708 (2.13912e-10% change) linmin: converged after 4 iterations. iteration 175: trace = 1.368730785426833 (6.38849e-11% change) Finished solving for bands 21 to 30 after 175 iterations. Solving for bands 31 to 40... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 7.230106530170506 (192.441% change) linmin: converged after 11 iterations. iteration 2: trace = 2.817364100690525 (87.8379% change) linmin: converged after 6 iterations. iteration 3: trace = 2.383772433885725 (16.673% change) linmin: converged after 6 iterations. iteration 4: trace = 2.264181950333428 (5.14594% change) linmin: converged after 12 iterations. iteration 5: trace = 2.205266188017869 (2.63638% change) linmin: converged after 5 iterations. iteration 6: trace = 2.183248748637495 (1.00341% change) linmin: converged after 5 iterations. iteration 7: trace = 2.173760375776314 (0.435545% change) linmin: converged after 5 iterations. iteration 8: trace = 2.167774122084664 (0.275767% change) linmin: converged after 5 iterations. iteration 9: trace = 2.16358040199555 (0.193645% change) linmin: converged after 5 iterations. iteration 10: trace = 2.159739056009329 (0.177704% change) linmin: converged after 4 iterations. iteration 11: trace = 2.15702209476702 (0.12588% change) linmin: converged after 4 iterations. iteration 12: trace = 2.155362898862326 (0.0769503% change) linmin: converged after 4 iterations. iteration 13: trace = 2.154174696420811 (0.0551429% change) linmin: converged after 5 iterations. iteration 14: trace = 2.153097711184035 (0.0500078% change) linmin: converged after 5 iterations. iteration 15: trace = 2.152356411443999 (0.0344354% change) linmin: converged after 5 iterations. iteration 16: trace = 2.151804495845252 (0.0256457% change) linmin: converged after 5 iterations. iteration 17: trace = 2.151338212081666 (0.0216718% change) linmin: converged after 4 iterations. iteration 18: trace = 2.151061653838748 (0.012856% change) linmin: converged after 5 iterations. iteration 19: trace = 2.150823283589471 (0.0110821% change) linmin: converged after 4 iterations. iteration 20: trace = 2.150656546131968 (0.00775256% change) linmin: converged after 4 iterations. iteration 21: trace = 2.150547247757261 (0.00508222% change) linmin: converged after 4 iterations. iteration 22: trace = 2.150480111512736 (0.00312187% change) linmin: converged after 4 iterations. iteration 23: trace = 2.150447077012171 (0.00153616% change) linmin: converged after 5 iterations. iteration 24: trace = 2.150426791487532 (0.000943321% change) linmin: converged after 4 iterations. iteration 25: trace = 2.150415527122207 (0.000523821% change) linmin: converged after 5 iterations. iteration 26: trace = 2.150409797922104 (0.000266423% change) linmin: converged after 5 iterations. iteration 27: trace = 2.150405288663566 (0.000209693% change) linmin: converged after 4 iterations. iteration 28: trace = 2.15040214025945 (0.00014641% change) linmin: converged after 5 iterations. iteration 29: trace = 2.150399521550649 (0.000121778% change) linmin: converged after 6 iterations. iteration 30: trace = 2.150396649501039 (0.000133559% change) linmin: converged after 6 iterations. iteration 31: trace = 2.150393098810755 (0.000165118% change) linmin: converged after 6 iterations. iteration 32: trace = 2.150387654321853 (0.000253186% change) linmin: converged after 7 iterations. iteration 33: trace = 2.150380790837795 (0.000319175% change) linmin: converged after 5 iterations. iteration 34: trace = 2.150373779095473 (0.00032607% change) linmin: converged after 6 iterations. iteration 35: trace = 2.150366763997729 (0.000326227% change) linmin: converged after 5 iterations. iteration 36: trace = 2.150359396527598 (0.000342615% change) linmin: converged after 4 iterations. iteration 37: trace = 2.150351903227359 (0.000348468% change) linmin: converged after 5 iterations. iteration 38: trace = 2.150343144221984 (0.00040733% change) linmin: converged after 4 iterations. iteration 39: trace = 2.150335244258529 (0.000367382% change) linmin: converged after 6 iterations. iteration 40: trace = 2.150328828056092 (0.000298382% change) linmin: converged after 6 iterations. iteration 41: trace = 2.150323123346729 (0.000265295% change) linmin: converged after 4 iterations. iteration 42: trace = 2.150319840811106 (0.000152653% change) linmin: converged after 3 iterations. iteration 43: trace = 2.150317369675977 (0.000114919% change) linmin: converged after 3 iterations. iteration 44: trace = 2.150315485730016 (8.76125e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 2.150314485092851 (4.65344e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 2.150313850319529 (2.952e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 2.150313567745016 (1.31411e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 2.150313402387604 (7.68992e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 2.150313290592575 (5.19901e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 2.150313233309788 (2.66393e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 2.150313205104017 (1.31171e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 2.150313191063011 (6.52975e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.15031318315574 (3.67726e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 2.150313178005872 (2.39494e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 2.15031317468392 (1.54487e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 2.15031317298649 (7.89387e-08% change) linmin: converged after 3 iterations. iteration 57: trace = 2.150313171839945 (5.33199e-08% change) linmin: converged after 4 iterations. iteration 58: trace = 2.150313171038808 (3.72568e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 2.150313170618584 (1.95424e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 2.150313170310127 (1.43447e-08% change) linmin: converged after 2 iterations. iteration 61: trace = 2.15031317007892 (1.07523e-08% change) linmin: converged after 2 iterations. iteration 62: trace = 2.150313169876843 (9.39756e-09% change) linmin: converged after 3 iterations. iteration 63: trace = 2.150313169681186 (9.09903e-09% change) linmin: converged after 8 iterations. iteration 64: trace = 2.15031316952697 (7.17178e-09% change) linmin: converged after 2 iterations. iteration 65: trace = 2.150313169349206 (8.26689e-09% change) linmin: converged after 3 iterations. iteration 66: trace = 2.150313169164314 (8.59838e-09% change) linmin: converged after 2 iterations. iteration 67: trace = 2.150313168971394 (8.97169e-09% change) linmin: converged after 5 iterations. iteration 68: trace = 2.150313168726532 (1.13873e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 2.150313168487834 (1.11006e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.150313168383634 (4.84582e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 2.150313168199778 (8.5502e-09% change) linmin: converged after 5 iterations. iteration 72: trace = 2.150313168067435 (6.15461e-09% change) linmin: converged after 2 iterations. iteration 73: trace = 2.150313167954971 (5.23009e-09% change) linmin: converged after 2 iterations. iteration 74: trace = 2.150313167848819 (4.9366e-09% change) linmin: converged after 3 iterations. iteration 75: trace = 2.150313167774826 (3.44105e-09% change) linmin: converged after 2 iterations. iteration 76: trace = 2.150313167690865 (3.90457e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 2.150313167606671 (3.91543e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 2.150313167537179 (3.23173e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 2.150313167461771 (3.50684e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 2.150313167391707 (3.25831e-09% change) linmin: converged after 2 iterations. iteration 81: trace = 2.150313167302679 (4.14023e-09% change) linmin: converged after 2 iterations. iteration 82: trace = 2.150313167174394 (5.96587e-09% change) linmin: converged after 2 iterations. iteration 83: trace = 2.150313167057197 (5.45023e-09% change) linmin: converged after 2 iterations. iteration 84: trace = 2.150313166919648 (6.39672e-09% change) linmin: converged after 2 iterations. iteration 85: trace = 2.150313166760828 (7.38586e-09% change) linmin: converged after 3 iterations. iteration 86: trace = 2.150313166660208 (4.67932e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 2.150313166582061 (3.63425e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 2.15031316651592 (3.07587e-09% change) linmin: converged after 5 iterations. iteration 89: trace = 2.150313166475563 (1.87678e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 2.150313166453092 (1.04503e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 2.150313166442374 (4.98443e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 2.150313166436357 (2.79818e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 2.150313166432015 (2.01938e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 2.150313166429914 (9.76854e-11% change) Finished solving for bands 31 to 40 after 94 iterations. Solving for bands 41 to 50... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 8.54561533283516 (191.103% change) linmin: converged after 9 iterations. iteration 2: trace = 3.261177039207398 (89.5152% change) linmin: converged after 6 iterations. iteration 3: trace = 2.73543054489073 (17.5348% change) linmin: converged after 6 iterations. iteration 4: trace = 2.599623148721098 (5.09114% change) linmin: converged after 10 iterations. iteration 5: trace = 2.527777747030367 (2.80241% change) linmin: converged after 6 iterations. iteration 6: trace = 2.48697195409586 (1.62743% change) linmin: converged after 5 iterations. iteration 7: trace = 2.468814609174601 (0.732773% change) linmin: converged after 7 iterations. iteration 8: trace = 2.458529975618113 (0.417451% change) linmin: converged after 5 iterations. iteration 9: trace = 2.452010579592671 (0.265527% change) linmin: converged after 5 iterations. iteration 10: trace = 2.44695192498564 (0.206519% change) linmin: converged after 5 iterations. iteration 11: trace = 2.443000266960076 (0.161624% change) linmin: converged after 4 iterations. iteration 12: trace = 2.440801969572049 (0.090024% change) linmin: converged after 4 iterations. iteration 13: trace = 2.439651933403517 (0.0471282% change) linmin: converged after 5 iterations. iteration 14: trace = 2.438794406518084 (0.0351557% change) linmin: converged after 5 iterations. iteration 15: trace = 2.438022839070599 (0.0316423% change) linmin: converged after 5 iterations. iteration 16: trace = 2.43731423966883 (0.0290687% change) linmin: converged after 5 iterations. iteration 17: trace = 2.436427459297366 (0.0363901% change) linmin: converged after 5 iterations. iteration 18: trace = 2.435606085478923 (0.0337179% change) linmin: converged after 5 iterations. iteration 19: trace = 2.435080538992132 (0.02158% change) linmin: converged after 5 iterations. iteration 20: trace = 2.434730917248482 (0.0143587% change) linmin: converged after 5 iterations. iteration 21: trace = 2.434515499878323 (0.00884808% change) linmin: converged after 4 iterations. iteration 22: trace = 2.434390164757964 (0.00514839% change) linmin: converged after 4 iterations. iteration 23: trace = 2.434289948271563 (0.00411678% change) linmin: converged after 4 iterations. iteration 24: trace = 2.43421517112559 (0.00307187% change) linmin: converged after 4 iterations. iteration 25: trace = 2.434151151333727 (0.00263003% change) linmin: converged after 5 iterations. iteration 26: trace = 2.434099390081217 (0.00212648% change) linmin: converged after 4 iterations. iteration 27: trace = 2.434069521772944 (0.00122709% change) linmin: converged after 4 iterations. iteration 28: trace = 2.434051894882334 (0.000724176% change) linmin: converged after 6 iterations. iteration 29: trace = 2.434040921125313 (0.000450844% change) linmin: converged after 5 iterations. iteration 30: trace = 2.434034872446438 (0.000248504% change) linmin: converged after 6 iterations. iteration 31: trace = 2.4340311347368 (0.00015356% change) linmin: converged after 5 iterations. iteration 32: trace = 2.434028967791745 (8.9027e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 2.434027725438828 (5.1041e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 2.434026886621372 (3.44621e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 2.434026138719075 (3.0727e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 2.434025450962204 (2.82559e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 2.434024951067755 (2.05378e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 2.434024674081352 (1.13798e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 2.434024546245138 (5.25205e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 2.43402447271568 (3.0209e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 2.43402442264887 (2.05696e-06% change) linmin: converged after 16 iterations. iteration 42: trace = 2.434024388303356 (1.41106e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 2.434024363248842 (1.02935e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 2.434024345054834 (7.47487e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 2.434024334364265 (4.39214e-07% change) linmin: converged after 6 iterations. iteration 46: trace = 2.434024326949267 (3.04639e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 2.434024320899892 (2.48534e-07% change) linmin: converged after 2 iterations. iteration 48: trace = 2.434024317216973 (1.5131e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 2.434024315167457 (8.42028e-08% change) linmin: converged after 2 iterations. iteration 50: trace = 2.434024314139083 (4.225e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 2.434024313590412 (2.25417e-08% change) linmin: converged after 2 iterations. iteration 52: trace = 2.434024313235237 (1.45921e-08% change) linmin: converged after 2 iterations. iteration 53: trace = 2.434024312972156 (1.08085e-08% change) linmin: converged after 2 iterations. iteration 54: trace = 2.434024312720115 (1.03549e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 2.434024312512642 (8.52389e-09% change) linmin: converged after 2 iterations. iteration 56: trace = 2.434024312381686 (5.38021e-09% change) linmin: converged after 5 iterations. iteration 57: trace = 2.434024312305557 (3.1277e-09% change) linmin: converged after 5 iterations. iteration 58: trace = 2.43402431226277 (1.75786e-09% change) linmin: converged after 5 iterations. iteration 59: trace = 2.434024312237418 (1.04159e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 2.434024312222994 (5.926e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 2.434024312214691 (3.4111e-10% change) linmin: converged after 4 iterations. iteration 62: trace = 2.434024312208376 (2.59427e-10% change) linmin: converged after 4 iterations. iteration 63: trace = 2.434024312203916 (1.83253e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 2.434024312200633 (1.34886e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 2.434024312198264 (9.73374e-11% change) Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 80 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 elapsed time for k point: 60.69490575790405 total elapsed time for run: 60.75704598426819 done Fixing e-field (band 25) phase by -0.24413 + -0.969743i; max ampl. = 0.816569 Outputting fields to /tmp/meepuUBjUW/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + 2.70339e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.014642715454101562 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995298 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250459154 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086656919 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.0110030162695962 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179290455 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.0101531458712683 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074295762101 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132157818467 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130039205466 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074091853987 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651738028323 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00744432729098274 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846082473489 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117068908677 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744046671679 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992996928429 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800011462347 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187549096868 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578168133488 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994952417877 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329233775762 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389227541902 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565557764014 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783466733805 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164734631855 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836574243196 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194884514588 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126406214108 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039545076355 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940877716805 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900209262322 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051991039538 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730330194419 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677849314165 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458767243676 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426018734292 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940775452601 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482749761328 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.00203481187534167 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048309856952 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.00185832050557658 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707942128221 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450547252923 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503970627782 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689303286632 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618688454 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457823109 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456499506636 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847711346 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207645533782 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.001230391786619745 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986363794925 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.00115248694587591 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112377774731 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292856449817 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332550532409 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132371032226 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701148277678 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884174844436 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.000874757439243248 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0008583544664514737 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113279837489 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380190685438 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477213842137 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627298126695 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000767219441475719 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123535870173 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232467670601 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718792198771 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040602905039 (5.44408% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704219718236 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027046157548 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658432335563 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272313909961 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356679372165 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395880423197 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602131959129 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389668073831 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305337104067 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074244622806 (0.095549% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008038963863 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.000435791942494028 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.000432462329684045 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730210272 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775599662793 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886192328498 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.000423453578635157 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426025476582 (0.0498351% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.000421757921823284 (0.351404% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658762294467 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438052718286 (0.26703% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306122548561 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953845214169 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102365137 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146479140429 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654538547 (0.118317% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953517182827 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835437604056 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361075745 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047469032 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861672964403 (0.0080917% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.000415015769837011 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907927671911 (0.00601852% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628361953296 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394187770554 (0.00564614% change) large trace change predicted (0.0338927%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939304534 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269721607 (0.00158394% change) large trace change predicted (0.0368809%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394958770213 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526280264 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.000414300372581812 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990238712 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401081156 (0.040887% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257883983192 (0.000519577% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987592697 (0.00468217% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000414104237397629 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493238772 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758299471 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443903279 (0.00913783% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873450954302 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345024138 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689703828329 (0.000788491% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555727229 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371795921 (0.000101075% change) large trace change predicted (0.000893308%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390507014 (0.000893392% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541907386 (0.000576138% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539578887 (0.000748963% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.000413932810794674 (0.000511317% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232519382 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983427008 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212288972 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change) large trace change predicted (0.000224737%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391436693 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056153959 (0.000225529% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559419639 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change) large trace change predicted (7.61596e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.000413926105533619 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change) large trace change predicted (7.23447e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894459899 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.000413923952211523 (2.88712e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 1.5901637077331543 total elapsed time for run: 1.6048951148986816 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.018548011779785156 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995298 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250459154 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086656919 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.0110030162695962 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179290455 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.0101531458712683 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074295762101 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132157818467 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130039205466 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074091853987 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651738028323 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00744432729098274 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846082473489 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117068908677 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744046671679 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992996928429 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800011462347 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187549096868 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578168133488 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994952417877 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329233775762 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389227541902 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565557764014 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783466733805 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164734631855 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836574243196 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194884514588 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126406214108 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039545076355 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940877716805 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900209262322 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051991039538 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730330194419 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677849314165 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458767243676 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426018734292 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940775452601 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482749761328 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.00203481187534167 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048309856952 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.00185832050557658 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707942128221 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450547252923 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503970627782 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689303286632 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618688454 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457823109 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456499506636 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847711346 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207645533782 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.001230391786619745 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986363794925 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.00115248694587591 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112377774731 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292856449817 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332550532409 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132371032226 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701148277678 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884174844436 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.000874757439243248 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0008583544664514737 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113279837489 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380190685438 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477213842137 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627298126695 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000767219441475719 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123535870173 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232467670601 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718792198771 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040602905039 (5.44408% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704219718236 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027046157548 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658432335563 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272313909961 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356679372165 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395880423197 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602131959129 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389668073831 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305337104067 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074244622806 (0.095549% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008038963863 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.000435791942494028 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.000432462329684045 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730210272 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775599662793 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886192328498 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.000423453578635157 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426025476582 (0.0498351% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.000421757921823284 (0.351404% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658762294467 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438052718286 (0.26703% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306122548561 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953845214169 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102365137 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146479140429 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654538547 (0.118317% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953517182827 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835437604056 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361075745 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047469032 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861672964403 (0.0080917% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.000415015769837011 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907927671911 (0.00601852% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628361953296 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394187770554 (0.00564614% change) large trace change predicted (0.0338927%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939304534 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269721607 (0.00158394% change) large trace change predicted (0.0368809%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394958770213 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526280264 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.000414300372581812 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990238712 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401081156 (0.040887% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257883983192 (0.000519577% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987592697 (0.00468217% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000414104237397629 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493238772 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758299471 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443903279 (0.00913783% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873450954302 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345024138 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689703828329 (0.000788491% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555727229 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371795921 (0.000101075% change) large trace change predicted (0.000893308%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390507014 (0.000893392% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541907386 (0.000576138% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539578887 (0.000748963% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.000413932810794674 (0.000511317% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232519382 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983427008 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212288972 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change) large trace change predicted (0.000224737%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391436693 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056153959 (0.000225529% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559419639 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change) large trace change predicted (7.61596e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.000413926105533619 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change) large trace change predicted (7.23447e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894459899 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.000413923952211523 (2.88712e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 1.617011547088623 total elapsed time for run: 1.6356279850006104 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.018599748611450195 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139704128560643 (199.998% change) linmin: converged after 5 iterations. iteration 2: trace = 0.01325247935111975 (5.27448% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01309864585223207 (1.16757% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01180419769830925 (10.396% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01092171084968943 (7.76635% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0104832362042705 (4.09695% change) linmin: converged after 6 iterations. iteration 7: trace = 0.01024244099014652 (2.32364% change) linmin: converged after 9 iterations. iteration 8: trace = 0.009296726181321038 (9.6802% change) linmin: converged after 5 iterations. iteration 9: trace = 0.009092549250416949 (2.22061% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008877950458103788 (2.38835% change) linmin: converged after 6 iterations. iteration 11: trace = 0.008191259878067776 (8.04596% change) linmin: converged after 4 iterations. iteration 12: trace = 0.008096286457343976 (1.16621% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007980245656617101 (1.4436% change) linmin: converged after 6 iterations. iteration 14: trace = 0.007633080390827254 (4.44704% change) linmin: converged after 4 iterations. iteration 15: trace = 0.007551101189687394 (1.0798% change) linmin: converged after 3 iterations. iteration 16: trace = 0.007469146928803855 (1.09125% change) large trace change predicted (3.9796%) linmin: converged after 6 iterations. iteration 17: trace = 0.007061705120440128 (5.60795% change) linmin: converged after 4 iterations. iteration 18: trace = 0.006903078386241062 (2.27181% change) linmin: converged after 4 iterations. iteration 19: trace = 0.006883599985888954 (0.282568% change) large trace change predicted (0.911153%) linmin: converged after 4 iterations. iteration 20: trace = 0.00681525517829826 (0.997818% change) large trace change predicted (3.64606%) linmin: converged after 6 iterations. iteration 21: trace = 0.006414667864077147 (6.05578% change) linmin: converged after 5 iterations. iteration 22: trace = 0.006179070463155562 (3.7415% change) linmin: converged after 3 iterations. iteration 23: trace = 0.006123365667045719 (0.90559% change) large trace change predicted (1.96323%) linmin: converged after 4 iterations. iteration 24: trace = 0.005987920414037494 (2.23668% change) linmin: converged after 5 iterations. iteration 25: trace = 0.00577045887794577 (3.69884% change) linmin: converged after 3 iterations. iteration 26: trace = 0.005717242846854336 (0.926487% change) linmin: converged after 3 iterations. iteration 27: trace = 0.005689514766158294 (0.486169% change) large trace change predicted (2.33743%) linmin: converged after 5 iterations. iteration 28: trace = 0.005515593855524939 (3.10431% change) linmin: converged after 5 iterations. iteration 29: trace = 0.004998906369241024 (9.82809% change) linmin: converged after 6 iterations. iteration 30: trace = 0.0047750227468392 (4.58124% change) linmin: converged after 3 iterations. iteration 31: trace = 0.004746932747066135 (0.590005% change) linmin: converged after 3 iterations. iteration 32: trace = 0.004704286249534733 (0.902455% change) large trace change predicted (2.70435%) linmin: converged after 4 iterations. iteration 33: trace = 0.004559634268193689 (3.12291% change) linmin: converged after 3 iterations. iteration 34: trace = 0.004505785235730644 (1.18801% change) linmin: converged after 4 iterations. iteration 35: trace = 0.004486716278660491 (0.424108% change) large trace change predicted (1.65013%) linmin: converged after 4 iterations. iteration 36: trace = 0.004403659935361575 (1.86846% change) linmin: converged after 5 iterations. iteration 37: trace = 0.00427652681574679 (2.92927% change) linmin: converged after 3 iterations. iteration 38: trace = 0.004241792311810986 (0.815525% change) linmin: converged after 3 iterations. iteration 39: trace = 0.004212672878610267 (0.688853% change) large trace change predicted (2.6159%) linmin: converged after 5 iterations. iteration 40: trace = 0.004078307839058333 (3.24123% change) linmin: converged after 5 iterations. iteration 41: trace = 0.003921854172378827 (3.91126% change) linmin: converged after 3 iterations. iteration 42: trace = 0.003887258230778637 (0.88604% change) linmin: converged after 4 iterations. iteration 43: trace = 0.003877595631595188 (0.24888% change) large trace change predicted (0.564259%) linmin: converged after 3 iterations. iteration 44: trace = 0.003854774509315449 (0.590275% change) linmin: converged after 4 iterations. iteration 45: trace = 0.003806743759075903 (1.25382% change) linmin: converged after 3 iterations. iteration 46: trace = 0.003784645770881508 (0.582186% change) linmin: converged after 4 iterations. iteration 47: trace = 0.003772030283002335 (0.33389% change) large trace change predicted (1.10169%) linmin: converged after 3 iterations. iteration 48: trace = 0.003727677192100772 (1.1828% change) large trace change predicted (2.54483%) linmin: converged after 5 iterations. iteration 49: trace = 0.003617159141799081 (3.00941% change) linmin: converged after 4 iterations. iteration 50: trace = 0.003566314305240271 (1.41561% change) linmin: converged after 3 iterations. iteration 51: trace = 0.003555267782136195 (0.310227% change) linmin: converged after 3 iterations. iteration 52: trace = 0.003544772930972855 (0.295628% change) large trace change predicted (0.882197%) linmin: converged after 4 iterations. iteration 53: trace = 0.003511336163544016 (0.94774% change) linmin: converged after 4 iterations. iteration 54: trace = 0.003474290018800834 (1.06064% change) linmin: converged after 3 iterations. iteration 55: trace = 0.003461055304604568 (0.38166% change) linmin: converged after 3 iterations. iteration 56: trace = 0.003450064076673498 (0.318074% change) large trace change predicted (0.959984%) linmin: converged after 4 iterations. iteration 57: trace = 0.003414599750455045 (1.03324% change) linmin: converged after 4 iterations. iteration 58: trace = 0.003355264791946304 (1.75291% change) linmin: converged after 3 iterations. iteration 59: trace = 0.003328832118899126 (0.790912% change) linmin: converged after 3 iterations. iteration 60: trace = 0.003316361826965426 (0.375318% change) large trace change predicted (0.782533%) linmin: converged after 3 iterations. iteration 61: trace = 0.003288989405475136 (0.828795% change) large trace change predicted (1.92333%) linmin: converged after 4 iterations. iteration 62: trace = 0.003216637088435873 (2.2243% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0031633288891235 (1.67111% change) linmin: converged after 3 iterations. iteration 64: trace = 0.003147796524626722 (0.492222% change) linmin: converged after 3 iterations. iteration 65: trace = 0.003138735020054819 (0.288283% change) large trace change predicted (0.631443%) linmin: converged after 3 iterations. iteration 66: trace = 0.003117908288074134 (0.665748% change) linmin: converged after 4 iterations. iteration 67: trace = 0.003080073611720689 (1.22087% change) linmin: converged after 3 iterations. iteration 68: trace = 0.003057130980387658 (0.747657% change) linmin: converged after 3 iterations. iteration 69: trace = 0.003044853183462938 (0.40242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.003040645554072147 (0.138284% change) large trace change predicted (0.662844%) linmin: converged after 3 iterations. iteration 71: trace = 0.003020737913830766 (0.656868% change) large trace change predicted (3.15233%) linmin: converged after 4 iterations. iteration 72: trace = 0.00292930566739102 (3.07333% change) linmin: converged after 3 iterations. iteration 73: trace = 0.002880127581963598 (1.69304% change) large trace change predicted (4.94794%) linmin: converged after 4 iterations. iteration 74: trace = 0.002741582966748026 (4.92891% change) linmin: converged after 4 iterations. iteration 75: trace = 0.002701516927257924 (1.47218% change) linmin: converged after 3 iterations. iteration 76: trace = 0.002680059245967761 (0.79745% change) linmin: converged after 3 iterations. iteration 77: trace = 0.002654711663958115 (0.950278% change) linmin: converged after 4 iterations. iteration 78: trace = 0.00263395315502916 (0.785019% change) linmin: converged after 4 iterations. iteration 79: trace = 0.002632703149905708 (0.0474686% change) large trace change predicted (1.11881%) linmin: converged after 3 iterations. iteration 80: trace = 0.002603510908529128 (1.11501% change) linmin: converged after 4 iterations. iteration 81: trace = 0.002602852951166054 (0.0252751% change) large trace change predicted (1.98243%) linmin: converged after 4 iterations. iteration 82: trace = 0.002546719623661904 (2.18012% change) linmin: converged after 4 iterations. iteration 83: trace = 0.002545931326038623 (0.0309582% change) large trace change predicted (0.28249%) linmin: converged after 4 iterations. iteration 84: trace = 0.002538665650581014 (0.285792% change) linmin: converged after 4 iterations. iteration 85: trace = 0.002531307083978984 (0.29028% change) linmin: converged after 4 iterations. iteration 86: trace = 0.002525454518374927 (0.231475% change) linmin: converged after 4 iterations. iteration 87: trace = 0.002519246691417378 (0.246113% change) linmin: converged after 4 iterations. iteration 88: trace = 0.002518419308579481 (0.0328479% change) large trace change predicted (0.184395%) linmin: converged after 4 iterations. iteration 89: trace = 0.002513730250763979 (0.186364% change) linmin: converged after 4 iterations. iteration 90: trace = 0.002512968998810526 (0.0302883% change) large trace change predicted (0.217796%) linmin: converged after 4 iterations. iteration 91: trace = 0.002507432797603135 (0.220548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.002507213225727589 (0.00875722% change) large trace change predicted (0.5147%) linmin: converged after 4 iterations. iteration 93: trace = 0.002493995010863174 (0.528601% change) linmin: converged after 4 iterations. iteration 94: trace = 0.002493329897761381 (0.0266721% change) large trace change predicted (1.39143%) linmin: converged after 4 iterations. iteration 95: trace = 0.002455039003712123 (1.54762% change) linmin: converged after 3 iterations. iteration 96: trace = 0.002452511872111521 (0.10299% change) large trace change predicted (0.991276%) linmin: converged after 4 iterations. iteration 97: trace = 0.002425130456922245 (1.12273% change) linmin: converged after 3 iterations. iteration 98: trace = 0.002414082465642957 (0.456603% change) large trace change predicted (2.45505%) linmin: converged after 6 iterations. iteration 99: trace = 0.00232926143884425 (3.57642% change) linmin: converged after 3 iterations. iteration 100: trace = 0.002325777946603649 (0.149665% change) large trace change predicted (2.34227%) linmin: converged after 6 iterations. iteration 101: trace = 0.002229897091235998 (4.20929% change) linmin: converged after 3 iterations. iteration 102: trace = 0.002223845139965056 (0.271769% change) large trace change predicted (1.18253%) linmin: converged after 6 iterations. iteration 103: trace = 0.002188150132802064 (1.61809% change) linmin: converged after 3 iterations. iteration 104: trace = 0.002182874759977945 (0.241379% change) large trace change predicted (0.876822%) linmin: converged after 5 iterations. iteration 105: trace = 0.002159129103806193 (1.09376% change) linmin: converged after 6 iterations. iteration 106: trace = 0.002089786152922282 (3.26403% change) linmin: converged after 4 iterations. iteration 107: trace = 0.002082927080804095 (0.328758% change) large trace change predicted (0.745454%) linmin: converged after 5 iterations. iteration 108: trace = 0.002064496299123318 (0.888782% change) linmin: converged after 5 iterations. iteration 109: trace = 0.002041753068920313 (1.10774% change) linmin: converged after 3 iterations. iteration 110: trace = 0.002039571461126356 (0.106907% change) large trace change predicted (0.360866%) linmin: converged after 4 iterations. iteration 111: trace = 0.00203162291519282 (0.390477% change) large trace change predicted (1.05067%) linmin: converged after 5 iterations. iteration 112: trace = 0.002004428314296047 (1.34758% change) linmin: converged after 3 iterations. iteration 113: trace = 0.001999407692206722 (0.250791% change) linmin: converged after 3 iterations. iteration 114: trace = 0.001995360220819478 (0.202639% change) large trace change predicted (0.94685%) linmin: converged after 5 iterations. iteration 115: trace = 0.001971823715558564 (1.18656% change) linmin: converged after 4 iterations. iteration 116: trace = 0.001962095654760598 (0.494573% change) linmin: converged after 3 iterations. iteration 117: trace = 0.001959076236913126 (0.154006% change) large trace change predicted (0.748967%) linmin: converged after 5 iterations. iteration 118: trace = 0.001941712280395883 (0.890279% change) linmin: converged after 5 iterations. iteration 119: trace = 0.001923375463955263 (0.948843% change) linmin: converged after 3 iterations. iteration 120: trace = 0.001920556295701355 (0.146681% change) linmin: converged after 3 iterations. iteration 121: trace = 0.001918029912146249 (0.131631% change) large trace change predicted (0.549968%) linmin: converged after 4 iterations. iteration 122: trace = 0.001906201779161867 (0.618589% change) linmin: converged after 4 iterations. iteration 123: trace = 0.001898499562050229 (0.404879% change) linmin: converged after 3 iterations. iteration 124: trace = 0.001896557449814275 (0.10235% change) large trace change predicted (0.277058%) linmin: converged after 3 iterations. iteration 125: trace = 0.001891002137458801 (0.293345% change) large trace change predicted (0.718159%) linmin: converged after 5 iterations. iteration 126: trace = 0.001875212231809554 (0.838503% change) linmin: converged after 3 iterations. iteration 127: trace = 0.001869456093758295 (0.307431% change) linmin: converged after 3 iterations. iteration 128: trace = 0.001867923188187034 (0.082031% change) large trace change predicted (0.22535%) linmin: converged after 3 iterations. iteration 129: trace = 0.001863513871651646 (0.236333% change) large trace change predicted (0.500516%) linmin: converged after 4 iterations. iteration 130: trace = 0.001853142211517864 (0.558118% change) linmin: converged after 3 iterations. iteration 131: trace = 0.001849375854526385 (0.203448% change) linmin: converged after 3 iterations. iteration 132: trace = 0.001848037517131958 (0.0723932% change) large trace change predicted (0.20788%) linmin: converged after 3 iterations. iteration 133: trace = 0.001844026901769776 (0.217256% change) linmin: converged after 4 iterations. iteration 134: trace = 0.001836311623647581 (0.41927% change) linmin: converged after 3 iterations. iteration 135: trace = 0.001833761470105556 (0.13897% change) linmin: converged after 3 iterations. iteration 136: trace = 0.001832871786061251 (0.0485287% change) large trace change predicted (0.135932%) linmin: converged after 3 iterations. iteration 137: trace = 0.001830312047116603 (0.139755% change) large trace change predicted (0.311765%) linmin: converged after 4 iterations. iteration 138: trace = 0.001824235934785314 (0.332523% change) linmin: converged after 3 iterations. iteration 139: trace = 0.001821681787552322 (0.14011% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 0.001821340978755483 (0.0187102% change) large trace change predicted (0.0804528%) linmin: converged after 3 iterations. iteration 141: trace = 0.001819877066132478 (0.0804079% change) large trace change predicted (0.409916%) linmin: converged after 3 iterations. iteration 142: trace = 0.001812499503892364 (0.406211% change) linmin: converged after 3 iterations. iteration 143: trace = 0.001811454519148888 (0.057671% change) large trace change predicted (0.477167%) linmin: converged after 4 iterations. iteration 144: trace = 0.001802735963199116 (0.482462% change) linmin: converged after 2 iterations. iteration 145: trace = 0.001802528129060389 (0.0115295% change) large trace change predicted (0.204614%) linmin: converged after 4 iterations. iteration 146: trace = 0.001798817730664685 (0.206056% change) linmin: converged after 2 iterations. iteration 147: trace = 0.001797914790903732 (0.0502089% change) linmin: converged after 2 iterations. iteration 148: trace = 0.001797855061937365 (0.00332218% change) large trace change predicted (0.0666456%) linmin: converged after 3 iterations. iteration 149: trace = 0.001796663044742081 (0.0663242% change) linmin: converged after 2 iterations. iteration 150: trace = 0.001796554124385083 (0.00606255% change) large trace change predicted (0.0339861%) linmin: converged after 3 iterations. iteration 151: trace = 0.001795941681918807 (0.0340957% change) linmin: converged after 3 iterations. iteration 152: trace = 0.001795556193835764 (0.0214667% change) linmin: converged after 2 iterations. iteration 153: trace = 0.001795537946428974 (0.00101626% change) large trace change predicted (0.0137742%) linmin: converged after 3 iterations. iteration 154: trace = 0.001795291078519722 (0.0137499% change) linmin: converged after 3 iterations. iteration 155: trace = 0.001795240452711556 (0.00281996% change) linmin: converged after 3 iterations. iteration 156: trace = 0.001795226987864461 (0.000750033% change) large trace change predicted (0.00308087%) linmin: converged after 3 iterations. iteration 157: trace = 0.001795171693735686 (0.00308011% change) linmin: converged after 2 iterations. iteration 158: trace = 0.001795171107873165 (3.26355e-05% change) large trace change predicted (0.000971063%) linmin: converged after 2 iterations. iteration 159: trace = 0.001795153665886346 (0.000971611% change) linmin: converged after 2 iterations. iteration 160: trace = 0.001795145309849778 (0.000465479% change) linmin: converged after 2 iterations. iteration 161: trace = 0.00179513965313019 (0.000315113% change) linmin: converged after 2 iterations. iteration 162: trace = 0.001795132316401178 (0.0004087% change) linmin: converged after 2 iterations. iteration 163: trace = 0.001795130761270238 (8.66305e-05% change) large trace change predicted (0.000263293%) linmin: converged after 2 iterations. iteration 164: trace = 0.001795126034816844 (0.000263293% change) linmin: converged after 2 iterations. iteration 165: trace = 0.001795120368150627 (0.00031567% change) linmin: converged after 2 iterations. iteration 166: trace = 0.001795120265519393 (5.71723e-06% change) large trace change predicted (0.000128194%) linmin: converged after 2 iterations. iteration 167: trace = 0.0017951179643805 (0.000128189% change) linmin: converged after 2 iterations. iteration 168: trace = 0.001795116608932586 (7.55075e-05% change) linmin: converged after 2 iterations. iteration 169: trace = 0.00179511627836147 (1.8415e-05% change) large trace change predicted (0.000128111%) linmin: converged after 2 iterations. iteration 170: trace = 0.001795113978637384 (0.00012811% change) linmin: converged after 2 iterations. iteration 171: trace = 0.001795113633503659 (1.92263e-05% change) large trace change predicted (0.000217276%) linmin: converged after 2 iterations. iteration 172: trace = 0.001795109733048387 (0.000217282% change) linmin: converged after 2 iterations. iteration 173: trace = 0.001795108024776292 (9.51626e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 0.00179510771385997 (1.73202e-05% change) linmin: converged after 2 iterations. iteration 175: trace = 0.001795107475576205 (1.32741e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 0.001795107189144143 (1.59563e-05% change) large trace change predicted (4.80671e-05%) linmin: converged after 2 iterations. iteration 177: trace = 0.00179510632617456 (4.80734e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 0.001795105301167742 (5.71001e-05% change) linmin: converged after 2 iterations. iteration 179: trace = 0.00179510525712836 (2.4533e-06% change) large trace change predicted (6.13335e-05%) linmin: converged after 2 iterations. iteration 180: trace = 0.001795104156147833 (6.13324e-05% change) linmin: converged after 2 iterations. iteration 181: trace = 0.001795103906910061 (1.38843e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 0.001795103753578124 (8.54168e-06% change) large trace change predicted (2.98372e-05%) linmin: converged after 2 iterations. iteration 183: trace = 0.001795103217903729 (2.98409e-05% change) linmin: converged after 2 iterations. iteration 184: trace = 0.001795103166259423 (2.87695e-06% change) large trace change predicted (3.00403e-05%) linmin: converged after 3 iterations. iteration 185: trace = 0.001795102627068015 (3.00368e-05% change) linmin: converged after 2 iterations. iteration 186: trace = 0.001795102523467903 (5.77126e-06% change) linmin: converged after 1 iterations. iteration 187: trace = 0.001795102514608244 (4.93546e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 elapsed time for k point: 1.8618152141571045 total elapsed time for run: 1.8804855346679688 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.018586158752441406 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.013963968885107 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327343044449466 (5.07052% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01314818569010378 (0.948048% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01141846578827399 (14.0819% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01061430622937801 (7.29967% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0102347107119679 (3.64138% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009988837075719608 (2.43156% change) linmin: converged after 7 iterations. iteration 8: trace = 0.009059508094124929 (9.75758% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008774558877248347 (3.19556% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008664466957180424 (1.26259% change) large trace change predicted (5.16734%) linmin: converged after 8 iterations. iteration 11: trace = 0.007650222378831909 (12.4335% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007407584235922479 (3.22276% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007287287721444142 (1.63726% change) large trace change predicted (4.46443%) linmin: converged after 8 iterations. iteration 14: trace = 0.006585376156714772 (10.1193% change) linmin: converged after 5 iterations. iteration 15: trace = 0.006385665995861183 (3.07932% change) linmin: converged after 5 iterations. iteration 16: trace = 0.006173327684014537 (3.38145% change) large trace change predicted (7.03964%) linmin: converged after 6 iterations. iteration 17: trace = 0.005372344447181201 (13.875% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005203493896296876 (3.19314% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005158140160565367 (0.875417% change) large trace change predicted (7.03307%) linmin: converged after 6 iterations. iteration 20: trace = 0.004551124706256455 (12.5038% change) linmin: converged after 6 iterations. iteration 21: trace = 0.004053087734012703 (11.5766% change) linmin: converged after 4 iterations. iteration 22: trace = 0.003982686104546883 (1.75221% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003851118513789621 (3.35897% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003554514950175319 (8.01021% change) linmin: converged after 4 iterations. iteration 25: trace = 0.003482282941089456 (2.05298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.003443376782551548 (1.12354% change) large trace change predicted (5.80293%) linmin: converged after 6 iterations. iteration 27: trace = 0.003167191653530731 (8.35587% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002727294773792319 (14.9257% change) linmin: converged after 4 iterations. iteration 29: trace = 0.00261408919836408 (4.23881% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002578888610947004 (1.3557% change) large trace change predicted (3.42483%) linmin: converged after 4 iterations. iteration 31: trace = 0.002480493356273773 (3.88962% change) linmin: converged after 4 iterations. iteration 32: trace = 0.002367651133012123 (4.65507% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00233796629705678 (1.26168% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002309522256886928 (1.22406% change) large trace change predicted (5.26705%) linmin: converged after 5 iterations. iteration 35: trace = 0.002163759017492219 (6.51706% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001939452304785408 (10.9332% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00186957222999906 (3.66918% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001846153068852122 (1.26054% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001797037323885004 (2.6963% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001701311179774289 (5.47265% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001657879763084735 (2.58583% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001643731377042975 (0.85706% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001620701965208401 (1.41093% change) large trace change predicted (3.46706%) linmin: converged after 4 iterations. iteration 44: trace = 0.00155921515695374 (3.8672% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001512999776482627 (3.0086% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001497753787335442 (1.01277% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001482591473434224 (1.01749% change) large trace change predicted (3.11595%) linmin: converged after 3 iterations. iteration 48: trace = 0.001433496093899474 (3.36721% change) linmin: converged after 4 iterations. iteration 49: trace = 0.001357637973043123 (5.43565% change) linmin: converged after 3 iterations. iteration 50: trace = 0.001326948326801945 (2.28636% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001316932853658683 (0.757634% change) linmin: converged after 4 iterations. iteration 52: trace = 0.00130499859355095 (0.910341% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001282234360753415 (1.75974% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001266870293558345 (1.20545% change) linmin: converged after 4 iterations. iteration 55: trace = 0.001261655054987313 (0.412512% change) linmin: converged after 4 iterations. iteration 56: trace = 0.00125677986338564 (0.38716% change) large trace change predicted (1.2699%) linmin: converged after 3 iterations. iteration 57: trace = 0.001240453870881619 (1.30753% change) large trace change predicted (2.87445%) linmin: converged after 3 iterations. iteration 58: trace = 0.001202896860403951 (3.07422% change) linmin: converged after 3 iterations. iteration 59: trace = 0.001179735208772778 (1.94421% change) linmin: converged after 4 iterations. iteration 60: trace = 0.001172296235977517 (0.632557% change) linmin: converged after 4 iterations. iteration 61: trace = 0.001166242359716823 (0.517749% change) large trace change predicted (1.07992%) linmin: converged after 3 iterations. iteration 62: trace = 0.001153409487711424 (1.10645% change) linmin: converged after 3 iterations. iteration 63: trace = 0.001139191286254316 (1.24036% change) linmin: converged after 4 iterations. iteration 64: trace = 0.001133617688685817 (0.490459% change) linmin: converged after 4 iterations. iteration 65: trace = 0.001130985118687525 (0.232497% change) linmin: converged after 4 iterations. iteration 66: trace = 0.001126199418161235 (0.424042% change) large trace change predicted (1.0217%) linmin: converged after 4 iterations. iteration 67: trace = 0.001114492081979881 (1.04498% change) linmin: converged after 4 iterations. iteration 68: trace = 0.001104425130402338 (0.907375% change) linmin: converged after 4 iterations. iteration 69: trace = 0.001100671902350251 (0.340414% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.001099857642964197 (0.0740058% change) large trace change predicted (0.448655%) linmin: converged after 3 iterations. iteration 71: trace = 0.001094930579150081 (0.448979% change) linmin: converged after 3 iterations. iteration 72: trace = 0.001092058041034646 (0.262693% change) large trace change predicted (1.1343%) linmin: converged after 3 iterations. iteration 73: trace = 0.001079697301944866 (1.13832% change) linmin: converged after 3 iterations. iteration 74: trace = 0.001075945706008446 (0.348072% change) large trace change predicted (5.69647%) linmin: converged after 3 iterations. iteration 75: trace = 0.001015472061314714 (5.78303% change) linmin: converged after 4 iterations. iteration 76: trace = 0.001011722488235073 (0.369927% change) linmin: converged after 2 iterations. iteration 77: trace = 0.001006696724642162 (0.49799% change) linmin: converged after 3 iterations. iteration 78: trace = 0.001006471831578985 (0.0223422% change) large trace change predicted (0.321601%) linmin: converged after 3 iterations. iteration 79: trace = 0.001003240532948339 (0.321568% change) large trace change predicted (0.843447%) linmin: converged after 3 iterations. iteration 80: trace = 0.0009948316941740013 (0.841695% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0009932059482039139 (0.163553% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0009920100956325559 (0.120476% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0009909098472246269 (0.110973% change) large trace change predicted (0.343974%) linmin: converged after 3 iterations. iteration 84: trace = 0.0009875186028339726 (0.342822% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0009868351271945317 (0.0692354% change) large trace change predicted (0.23392%) linmin: converged after 3 iterations. iteration 86: trace = 0.0009845322568589683 (0.233632% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0009832644457029389 (0.128856% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0009830636446443047 (0.020424% change) large trace change predicted (0.143137%) linmin: converged after 4 iterations. iteration 89: trace = 0.000981654287726127 (0.143467% change) linmin: converged after 4 iterations. iteration 90: trace = 0.0009807285600283054 (0.0943473% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0009801262096658643 (0.0614375% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0009797003662757565 (0.0434573% change) large trace change predicted (0.150715%) linmin: converged after 4 iterations. iteration 93: trace = 0.0009782177342185247 (0.15145% change) linmin: converged after 4 iterations. iteration 94: trace = 0.0009773746219149113 (0.0862258% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0009769392448670227 (0.0445555% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0009766854231881596 (0.0259847% change) large trace change predicted (0.0932274%) linmin: converged after 4 iterations. iteration 97: trace = 0.0009757710907702626 (0.0936597% change) linmin: converged after 4 iterations. iteration 98: trace = 0.000974760338555612 (0.103639% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0009746951131747228 (0.00669165% change) large trace change predicted (0.066841%) linmin: converged after 4 iterations. iteration 100: trace = 0.0009740429646619571 (0.0669303% change) linmin: converged after 2 iterations. iteration 101: trace = 0.000973903057995954 (0.0143645% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0009736734114930696 (0.0235828% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0009736547111648292 (0.00192061% change) large trace change predicted (0.0320894%) linmin: converged after 4 iterations. iteration 104: trace = 0.000973341966809752 (0.0321258% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0009731524760046547 (0.01947% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0009729383974931011 (0.0220009% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0009728422982404363 (0.00987771% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000972773850866935 (0.00703606% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0009727199318841234 (0.00554296% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0009727001609085182 (0.00203257% change) large trace change predicted (0.00486823%) linmin: converged after 2 iterations. iteration 111: trace = 0.0009726527881008878 (0.00487036% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0009726459001020127 (0.000708169% change) large trace change predicted (0.0028796%) linmin: converged after 2 iterations. iteration 113: trace = 0.0009726178782572927 (0.00288103% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0009726136550693561 (0.000434209% change) large trace change predicted (0.0044832%) linmin: converged after 2 iterations. iteration 115: trace = 0.0009725700210456027 (0.00448637% change) linmin: converged after 3 iterations. iteration 116: trace = 0.0009725477186011459 (0.00229317% change) linmin: converged after 3 iterations. iteration 117: trace = 0.0009725169993835423 (0.00315868% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0009725054398541233 (0.00118863% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0009724922314134557 (0.0013582% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000972485898755359 (0.00065118% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0009724828068150201 (0.000317942% change) large trace change predicted (0.000766325%) linmin: converged after 2 iterations. iteration 122: trace = 0.0009724753544886667 (0.000766323% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0009724751391760871 (2.21407e-05% change) large trace change predicted (0.000487741%) linmin: converged after 3 iterations. iteration 124: trace = 0.0009724703967831301 (0.000487663% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0009724695722731794 (8.47851e-05% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0009724686023173732 (9.97416e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0009724683963285693 (2.11821e-05% change) large trace change predicted (0.000182956%) linmin: converged after 2 iterations. iteration 128: trace = 0.0009724666170982419 (0.00018296% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0009724665630290224 (5.56001e-06% change) large trace change predicted (8.58149e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0009724657284832416 (8.58175e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0009724651010359192 (6.45213e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0009724646247807202 (4.8974e-05% change) large trace change predicted (0.000202977%) linmin: converged after 2 iterations. iteration 133: trace = 0.0009724626509295809 (0.000202974% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0009724620375443918 (6.30755e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0009724615331305616 (5.18698e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0009724608659776705 (6.86046e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0009724601155291436 (7.71701e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0009724600796040628 (3.69425e-06% change) large trace change predicted (1.51509e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0009724599322679013 (1.51509e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0009724599005561722 (3.26098e-06% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0009724598673352763 (3.41617e-06% change) large trace change predicted (1.39418e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0009724597317585379 (1.39416e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0009724596502114002 (8.38566e-06% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0009724596426331552 (7.79286e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 elapsed time for k point: 1.470780372619629 total elapsed time for run: 1.489433765411377 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.014524698257446289 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396244070952001 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327734802514247 (5.03009% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312938938238583 (1.12061% change) near maximum in trace linmin: converged after 7 iterations. iteration 4: trace = 0.01143971570355311 (13.7545% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01056618625955128 (7.93905% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0100894235250991 (4.6163% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009853432413965239 (2.36667% change) linmin: converged after 9 iterations. iteration 8: trace = 0.008796447371225856 (11.335% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008458573891943778 (3.91623% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008228863764816385 (2.75309% change) large trace change predicted (6.26136%) linmin: converged after 8 iterations. iteration 11: trace = 0.006959104851753761 (16.7206% change) linmin: converged after 5 iterations. iteration 12: trace = 0.00673167590201818 (3.32237% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006525014649972332 (3.11784% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005693152944009995 (13.6168% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005504795126196015 (3.36415% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005182224286174116 (6.03668% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004410551313898079 (16.0886% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004283910857905518 (2.91313% change) linmin: converged after 4 iterations. iteration 19: trace = 0.004224603983459523 (1.39406% change) large trace change predicted (9.32565%) linmin: converged after 6 iterations. iteration 20: trace = 0.003556460288190122 (17.1736% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003124334182187236 (12.9364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003069228500152332 (1.77945% change) large trace change predicted (3.71325%) linmin: converged after 5 iterations. iteration 23: trace = 0.002934336282953766 (4.49374% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00264233173308252 (10.4724% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002571579567269919 (2.71398% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002533478244798919 (1.49269% change) large trace change predicted (7.65005%) linmin: converged after 5 iterations. iteration 27: trace = 0.002278678035554091 (10.5899% change) linmin: converged after 6 iterations. iteration 28: trace = 0.001883039953473477 (19.0132% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001791571188507326 (4.97842% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001767270133709125 (1.36567% change) large trace change predicted (3.86857%) linmin: converged after 4 iterations. iteration 31: trace = 0.00169217116207442 (4.34168% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001555831949290188 (8.39526% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001511411252316229 (2.89646% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001486905418581334 (1.63464% change) large trace change predicted (5.92327%) linmin: converged after 4 iterations. iteration 35: trace = 0.001387435430392555 (6.92124% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001194026459248926 (14.9845% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001122562343194793 (6.16977% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001099956477424317 (2.03426% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001059182240514918 (3.7769% change) linmin: converged after 4 iterations. iteration 40: trace = 0.0009866837679004818 (7.08731% change) linmin: converged after 3 iterations. iteration 41: trace = 0.0009558629208419246 (3.17324% change) linmin: converged after 4 iterations. iteration 42: trace = 0.0009452267884309858 (1.11895% change) linmin: converged after 3 iterations. iteration 43: trace = 0.0009243211032326439 (2.23644% change) large trace change predicted (6.26126%) linmin: converged after 4 iterations. iteration 44: trace = 0.0008615593031079486 (7.02867% change) linmin: converged after 3 iterations. iteration 45: trace = 0.0008134176826413665 (5.74833% change) linmin: converged after 4 iterations. iteration 46: trace = 0.0007986283255418251 (1.83486% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0007852627945740037 (1.68768% change) large trace change predicted (4.77797%) linmin: converged after 3 iterations. iteration 48: trace = 0.0007461125163437629 (5.11309% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0006970945357500939 (6.79292% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0006808926183566773 (2.35153% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0006752932687867483 (0.82575% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0006660950936484398 (1.37144% change) large trace change predicted (3.11166%) linmin: converged after 3 iterations. iteration 53: trace = 0.0006448656203036437 (3.23877% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0006304610544465145 (2.25896% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0006258397561783901 (0.735699% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0006213724158645289 (0.716372% change) large trace change predicted (2.22111%) linmin: converged after 4 iterations. iteration 57: trace = 0.0006073554439309521 (2.28154% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0005849991898567178 (3.74993% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0005750384421344878 (1.71731% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0005705355312952852 (0.786141% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0005627759095241983 (1.36937% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0005488357745412257 (2.50809% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0005415218646086128 (1.34156% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0005394069954728243 (0.391306% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0005374974140719988 (0.354643% change) large trace change predicted (1.05234%) linmin: converged after 4 iterations. iteration 66: trace = 0.0005318034221307215 (1.06499% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0005225513688562095 (1.75502% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0005182232127308791 (0.831718% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0005162072680211521 (0.389769% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0005155092907337273 (0.135304% change) large trace change predicted (0.688124%) linmin: converged after 3 iterations. iteration 71: trace = 0.0005119637368373891 (0.69015% change) linmin: converged after 2 iterations. iteration 72: trace = 0.0005116082162762452 (0.0694666% change) large trace change predicted (2.65047%) linmin: converged after 3 iterations. iteration 73: trace = 0.0004980720955581289 (2.68127% change) linmin: converged after 2 iterations. iteration 74: trace = 0.0004962593830387063 (0.364609% change) large trace change predicted (4.18178%) linmin: converged after 3 iterations. iteration 75: trace = 0.0004755685305165733 (4.25813% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0004613074630966258 (3.04439% change) linmin: converged after 3 iterations. iteration 77: trace = 0.000461086796861826 (0.0478464% change) large trace change predicted (0.213803%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004601018611198662 (0.21384% change) large trace change predicted (1.00026%) linmin: converged after 3 iterations. iteration 79: trace = 0.0004555175354524014 (1.00136% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004514547054394601 (0.895911% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004512636246072304 (0.0423345% change) large trace change predicted (0.206391%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004503349945097374 (0.205996% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0004501374789181844 (0.0438693% change) large trace change predicted (0.562754%) linmin: converged after 3 iterations. iteration 84: trace = 0.0004476360710495486 (0.557247% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0004475864327812843 (0.0110896% change) large trace change predicted (0.12546%) linmin: converged after 3 iterations. iteration 86: trace = 0.0004470257239683097 (0.125352% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004469825667575035 (0.00965477% change) large trace change predicted (0.115451%) linmin: converged after 2 iterations. iteration 88: trace = 0.0004464661248478511 (0.115606% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004464504551906729 (0.00350977% change) large trace change predicted (0.177837%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004456538746359608 (0.178585% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0004456257171319219 (0.00631844% change) large trace change predicted (0.074741%) linmin: converged after 4 iterations. iteration 92: trace = 0.0004452924589958601 (0.0748123% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0004452687856063663 (0.00531651% change) large trace change predicted (0.113007%) linmin: converged after 3 iterations. iteration 94: trace = 0.0004447657260542227 (0.113043% change) linmin: converged after 2 iterations. iteration 95: trace = 0.000444726767362233 (0.00875976% change) large trace change predicted (0.105917%) linmin: converged after 2 iterations. iteration 96: trace = 0.0004442556986460133 (0.105979% change) linmin: converged after 2 iterations. iteration 97: trace = 0.000444245580605219 (0.00227755% change) large trace change predicted (0.0817138%) linmin: converged after 3 iterations. iteration 98: trace = 0.0004438810888303023 (0.082081% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0004438500905866564 (0.0069837% change) large trace change predicted (0.0240443%) linmin: converged after 2 iterations. iteration 100: trace = 0.000443743225500733 (0.0240797% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004437391651983546 (0.000915016% change) large trace change predicted (0.0185711%) linmin: converged after 2 iterations. iteration 102: trace = 0.0004436567046655417 (0.0185848% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0004436180975631598 (0.0087024% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004435965954249043 (0.00484711% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0004435901010886317 (0.00146403% change) large trace change predicted (0.0143213%) linmin: converged after 3 iterations. iteration 106: trace = 0.0004435266121585175 (0.0143135% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0004434983515581526 (0.006372% change) linmin: converged after 3 iterations. iteration 108: trace = 0.0004434761005167122 (0.00501729% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000443471473101567 (0.00104345% change) large trace change predicted (0.00742987%) linmin: converged after 2 iterations. iteration 110: trace = 0.0004434385151229819 (0.00743209% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0004434252055766774 (0.00300149% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004434206868132132 (0.00101906% change) linmin: converged after 2 iterations. iteration 113: trace = 0.000443413692435694 (0.00157738% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004434078981871981 (0.00130675% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0004434060803081369 (0.00040998% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004434035864054549 (0.000562444% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0004433997721779061 (0.000860219% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004433993922834409 (8.56777e-05% change) large trace change predicted (0.000765319%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004433959989793184 (0.000765296% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000443393710753055 (0.00051607% change) linmin: converged after 2 iterations. iteration 121: trace = 0.00044339255522473 (0.00026061% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004433924380077656 (2.64364e-05% change) large trace change predicted (0.000654702%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004433895351567819 (0.000654693% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004433889271465858 (0.000137128% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0004433880632293057 (0.000194844% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004433880312280366 (7.21744e-06% change) large trace change predicted (9.11993e-05%) linmin: converged after 2 iterations. iteration 127: trace = 0.0004433876268650916 (9.11985e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004433874490725832 (4.00987e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0004433873033573146 (3.28641e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004433872992476595 (9.26877e-07% change) Finished solving for bands 1 to 1 after 130 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732 elapsed time for k point: 1.2946991920471191 total elapsed time for run: 1.3092930316925049 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.01454305648803711 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396317243285668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327582341516151 (5.0468% change) linmin: converged after 5 iterations. iteration 3: trace = 0.0131392180270813 (1.0343% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142281205604164 (13.9761% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01058525607515258 (7.61135% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01015898370438056 (4.10979% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009918237309124136 (2.3982% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008927971076747502 (10.5089% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008614717279949852 (3.57133% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008466233313039572 (1.73859% change) large trace change predicted (5.78164%) linmin: converged after 8 iterations. iteration 11: trace = 0.007282511328252523 (15.0326% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007044999188587252 (3.31547% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006874592946480029 (2.44844% change) linmin: converged after 8 iterations. iteration 14: trace = 0.006133148163783014 (11.4001% change) linmin: converged after 5 iterations. iteration 15: trace = 0.00596154977038677 (2.83758% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005645565245977392 (5.44467% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004830936611362561 (15.5515% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004686994043991938 (3.02466% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004633898349406407 (1.13928% change) large trace change predicted (8.32154%) linmin: converged after 6 iterations. iteration 20: trace = 0.003985702635394283 (15.04% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003535474708266895 (11.9723% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003476369469566703 (1.68587% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003338185922812975 (4.05554% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00304023988603604 (9.34231% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002968314177461078 (2.39411% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002929179324367631 (1.32717% change) large trace change predicted (6.73473%) linmin: converged after 5 iterations. iteration 27: trace = 0.00266516322242606 (9.43868% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00226371610808418 (16.2896% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002168934509313738 (4.27652% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00214077639914179 (1.30673% change) large trace change predicted (3.62381%) linmin: converged after 4 iterations. iteration 31: trace = 0.002054832936511166 (4.09683% change) linmin: converged after 4 iterations. iteration 32: trace = 0.001928675147154582 (6.334% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001891060682966421 (1.96948% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001863419993347732 (1.47241% change) large trace change predicted (5.5606%) linmin: converged after 5 iterations. iteration 35: trace = 0.001742904243219416 (6.68358% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001553603642031292 (11.4849% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00149051835858315 (4.14473% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001465056863554563 (1.72295% change) large trace change predicted (3.54511%) linmin: converged after 4 iterations. iteration 39: trace = 0.001409511516369738 (3.8646% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001324643607082073 (6.20798% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001293109867389404 (2.40922% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001281892836952946 (0.871225% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001258915302834804 (1.80868% change) large trace change predicted (4.91517%) linmin: converged after 4 iterations. iteration 44: trace = 0.001191045275990163 (5.5405% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001138499727154077 (4.51123% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00112217005831717 (1.44468% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001108595699098917 (1.21701% change) large trace change predicted (3.33729%) linmin: converged after 3 iterations. iteration 48: trace = 0.001069901372311806 (3.55239% change) linmin: converged after 3 iterations. iteration 49: trace = 0.001014621259259575 (5.30386% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0009931819912349258 (2.13559% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0009855932452828896 (0.767014% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0009747198764360718 (1.10935% change) large trace change predicted (2.27865%) linmin: converged after 3 iterations. iteration 53: trace = 0.0009518762291513457 (2.3714% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0009362068769205437 (1.65982% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0009309620734048508 (0.561792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0009261399277891347 (0.519319% change) large trace change predicted (1.55474%) linmin: converged after 4 iterations. iteration 57: trace = 0.0009114740521548155 (1.59619% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000885157723534713 (2.92952% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0008716930715392432 (1.53282% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0008661342145990267 (0.639748% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0008582710080876835 (0.911991% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0008422283021135275 (1.88682% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008310961554440692 (1.33054% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0008278256095158784 (0.394298% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0008259581513831269 (0.225841% change) large trace change predicted (0.54409%) linmin: converged after 4 iterations. iteration 66: trace = 0.0008214375662093993 (0.548816% change) large trace change predicted (1.31796%) linmin: converged after 4 iterations. iteration 67: trace = 0.000810457089246552 (1.34573% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0008022185029618069 (1.02173% change) linmin: converged after 4 iterations. iteration 69: trace = 0.000799064159193558 (0.393977% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007982674272893162 (0.0997579% change) large trace change predicted (0.511106%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007941909654360605 (0.511971% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007934194265668023 (0.097195% change) large trace change predicted (2.05123%) linmin: converged after 3 iterations. iteration 73: trace = 0.0007771906069134629 (2.06656% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0007749505868352607 (0.288636% change) large trace change predicted (3.32417%) linmin: converged after 3 iterations. iteration 75: trace = 0.0007492994742902132 (3.36574% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0007303048045902645 (2.56753% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0007296260899923329 (0.092979% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0007286441023607333 (0.134678% change) large trace change predicted (0.558198%) linmin: converged after 3 iterations. iteration 79: trace = 0.0007245873406189162 (0.558309% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0007180771875030859 (0.902518% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0007177753846900935 (0.0420381% change) large trace change predicted (0.226857%) linmin: converged after 3 iterations. iteration 82: trace = 0.0007161515296084835 (0.226491% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0007160330404445294 (0.0165466% change) large trace change predicted (0.465216%) linmin: converged after 3 iterations. iteration 84: trace = 0.0007127367071706359 (0.461423% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0007126620769587756 (0.0104715% change) large trace change predicted (0.165499%) linmin: converged after 3 iterations. iteration 86: trace = 0.0007114852716408983 (0.165265% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0007114282832243191 (0.0080101% change) large trace change predicted (0.095004%) linmin: converged after 2 iterations. iteration 88: trace = 0.000710752335651195 (0.0950579% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0007107286747977002 (0.00332904% change) large trace change predicted (0.213089%) linmin: converged after 4 iterations. iteration 90: trace = 0.0007092078344352046 (0.214212% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0007089701515793524 (0.0335195% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0007085829024933058 (0.0546363% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0007085381993806709 (0.006309% change) large trace change predicted (0.0927125%) linmin: converged after 4 iterations. iteration 94: trace = 0.0007078806538429843 (0.0928462% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0007072074075412233 (0.0951526% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0007068181437316314 (0.0550575% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0007067093274619584 (0.0153964% change) large trace change predicted (0.0560665%) linmin: converged after 4 iterations. iteration 98: trace = 0.0007063118363032925 (0.0562612% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0007061403184928472 (0.0242865% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0007060950996106257 (0.00640387% change) large trace change predicted (0.0267454%) linmin: converged after 2 iterations. iteration 101: trace = 0.0007059060330955778 (0.0267799% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0007058881454635251 (0.00253403% change) large trace change predicted (0.0136289%) linmin: converged after 3 iterations. iteration 103: trace = 0.0007057919581194113 (0.0136274% change) linmin: converged after 3 iterations. iteration 104: trace = 0.0007057842514750095 (0.00109192% change) large trace change predicted (0.0186307%) linmin: converged after 3 iterations. iteration 105: trace = 0.0007056529475520776 (0.0186057% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0007056483369613913 (0.000653381% change) large trace change predicted (0.0148068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0007055439182106634 (0.0147987% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0007055329036022919 (0.00156116% change) large trace change predicted (0.0110758%) linmin: converged after 2 iterations. iteration 109: trace = 0.0007054546515592812 (0.0110918% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0007054502743526807 (0.000620482% change) large trace change predicted (0.00195447%) linmin: converged after 2 iterations. iteration 111: trace = 0.0007054364838129145 (0.00195488% change) linmin: converged after 3 iterations. iteration 112: trace = 0.00070542386447461 (0.00178889% change) linmin: converged after 3 iterations. iteration 113: trace = 0.0007054118291849119 (0.00170612% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000705406589596326 (0.000742773% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0007054022952448521 (0.000608779% change) large trace change predicted (0.00136007%) linmin: converged after 2 iterations. iteration 116: trace = 0.0007053927001440852 (0.00136024% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0007053920786219404 (8.81101e-05% change) large trace change predicted (0.00165021%) linmin: converged after 2 iterations. iteration 118: trace = 0.0007053804353967307 (0.00165062% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0007053797879385894 (9.17885e-05% change) large trace change predicted (0.000677675%) linmin: converged after 3 iterations. iteration 120: trace = 0.0007053750082370517 (0.000677609% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0007053742081007403 (0.000113434% change) large trace change predicted (0.000715979%) linmin: converged after 3 iterations. iteration 122: trace = 0.0007053691586075229 (0.000715863% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0007053690877136361 (1.00506e-05% change) large trace change predicted (0.000338665%) linmin: converged after 2 iterations. iteration 124: trace = 0.0007053666990218524 (0.000338645% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0007053665919398855 (1.5181e-05% change) large trace change predicted (0.000210995%) linmin: converged after 2 iterations. iteration 126: trace = 0.0007053651035997121 (0.000211003% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0007053650603494803 (6.13161e-06% change) large trace change predicted (3.74998e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0007053647958367587 (3.75001e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0007053645526035715 (3.44833e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0007053644026624938 (2.12572e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0007053642119763844 (2.70337e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0007053641295694841 (1.16829e-05% change) large trace change predicted (3.47577e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0007053638844030276 (3.47574e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0007053638768681148 (1.06823e-06% change) large trace change predicted (6.4584e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0007053634213077322 (6.45852e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.000705363382080597 (5.56127e-06% change) large trace change predicted (2.17913e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0007053632283731705 (2.17912e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0007053632203734074 (1.13413e-06% change) large trace change predicted (1.65302e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0007053631037760395 (1.65301e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0007053630961879888 (1.07577e-06% change) large trace change predicted (8.44799e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0007053630365991247 (8.44797e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0007053630328314389 (5.34148e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 elapsed time for k point: 1.453505039215088 total elapsed time for run: 1.4681177139282227 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.018617868423461914 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271668064178 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684595598254 (5.03584% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313324005126226 (1.08751% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143110159340448 (13.8586% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105716647670391 (7.81208% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011480006995593 (4.41704% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876896507317543 (2.38002% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008845869823225553 (11.0136% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008516806987345598 (3.79046% change) linmin: converged after 5 iterations. iteration 10: trace = 0.0083259027376308 (2.26691% change) large trace change predicted (6.10025%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074435671147812 (16.2525% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006841983821332298 (3.34068% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006643948104508374 (2.93692% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865142910620674 (12.4518% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690265827181827 (3.02676% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005358817859012478 (5.99956% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004559992561401731 (16.1073% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004422633268238755 (3.05833% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004367501599121268 (1.2544% change) large trace change predicted (8.81855%) linmin: converged after 6 iterations. iteration 20: trace = 0.00372526030351258 (15.872% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003275912354850025 (12.8364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217291914329528 (1.80559% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089322841871505 (4.05825% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002788506790177374 (10.2356% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710327276287455 (2.84349% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002673641018528812 (1.3628% change) large trace change predicted (6.80645%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438399819545466 (9.20342% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002033628117715322 (18.1024% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001932625575514644 (5.0931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907447121669809 (1.31135% change) large trace change predicted (3.49617%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834380521685669 (3.9054% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00169362700270968 (7.97921% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001645862013262594 (2.86062% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001621572416305719 (1.48677% change) large trace change predicted (5.19604%) linmin: converged after 4 iterations. iteration 35: trace = 0.00152683730460767 (6.01797% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331181621888311 (13.6917% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255055950247379 (5.88698% change) linmin: converged after 3 iterations. iteration 38: trace = 0.00123163863135193 (1.88341% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191185578475442 (3.33933% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001115731224133547 (6.54158% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001081930558997462 (3.07606% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001070713334826591 (1.04218% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050332277581847 (1.92179% change) large trace change predicted (5.53461%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009871633721356356 (6.20064% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009348499846279036 (5.4436% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009186091628567765 (1.75249% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009053624949768703 (1.45251% change) large trace change predicted (4.01003%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008674888829837042 (4.27262% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008159178079870348 (6.12699% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007976349713553913 (2.26616% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007916172097507311 (0.757307% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007826476374209466 (1.13953% change) large trace change predicted (2.68833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007610683319630357 (2.79576% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007448033462340947 (2.16021% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007395059081794688 (0.713792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007349897230015674 (0.612574% change) large trace change predicted (1.82366%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007213725308723415 (1.87003% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006974056183515871 (3.37853% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006857685870887716 (1.68266% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006809629613036115 (0.703229% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000673706500779278 (1.07133% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006595597906839349 (2.12211% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006509089489947768 (1.32027% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006483901390010435 (0.387718% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006465124061252257 (0.290019% change) large trace change predicted (0.811341%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006412331173751737 (0.819927% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006311167036481185 (1.59019% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006255870591535534 (0.880024% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006232810581626358 (0.369295% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006225571731986008 (0.116209% change) large trace change predicted (0.609983%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006187620007011797 (0.611474% change) large trace change predicted (1.73973%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006080141760239587 (1.75221% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006035622678303802 (0.734895% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005956759419083705 (1.31522% change) large trace change predicted (2.85632%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005786878970696843 (2.89315% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005632744308379359 (2.69947% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005628726027644159 (0.0713633% change) large trace change predicted (0.145053%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005620566909415205 (0.14506% change) large trace change predicted (0.920718%) linmin: converged after 3 iterations. iteration 79: trace = 0.000556901268703327 (0.921468% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005530168479638756 (0.699947% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005523447937977833 (0.121599% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005519201577198722 (0.0769084% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005511154675303566 (0.145905% change) large trace change predicted (0.454137%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005486399805402559 (0.450189% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005483001043205825 (0.0619681% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005481437586057971 (0.0285187% change) large trace change predicted (0.103654%) linmin: converged after 3 iterations. iteration 87: trace = 0.000547576267322373 (0.103583% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005471173775120635 (0.0838389% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005469543549641633 (0.0298011% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005468753842729244 (0.0144393% change) large trace change predicted (0.179336%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005458908535775531 (0.180191% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005457402126023019 (0.0275992% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005454536841265851 (0.0525165% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005453725909014505 (0.0148682% change) large trace change predicted (0.0882481%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005448913918825748 (0.088272% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005447734720897967 (0.0216433% change) large trace change predicted (0.0981658%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005442386144206128 (0.0982281% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005442276851007091 (0.00200821% change) large trace change predicted (0.082279%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005437776922392897 (0.0827189% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005437640368095923 (0.00251125% change) large trace change predicted (0.0242661%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005436318787459453 (0.0243073% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005436266544384924 (0.000961006% change) large trace change predicted (0.0202723%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005435163780755752 (0.0202874% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005435111183291713 (0.00096773% change) large trace change predicted (0.0121753%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005434449567637905 (0.0121737% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005434410274724705 (0.000723037% change) large trace change predicted (0.0153686%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005433575837248268 (0.0153559% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005433559425935523 (0.000302036% change) large trace change predicted (0.0117648%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005432920431469617 (0.0117608% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005432896628366095 (0.000438128% change) large trace change predicted (0.00949573%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005432380426691929 (0.00950186% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005432331257739618 (0.000905113% change) large trace change predicted (0.00221037%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005432211163618246 (0.00221075% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005432204746704853 (0.000118127% change) large trace change predicted (0.00265795%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005432060353819213 (0.00265813% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005432036139747535 (0.000445763% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005431990785113428 (0.000834951% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000543197926406157 (0.000212097% change) large trace change predicted (0.000723263%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005431939976708296 (0.000723263% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005431920389551495 (0.000360593% change) large trace change predicted (0.00103864%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005431863971830759 (0.00103864% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005431852869783299 (0.000204388% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005431845310996196 (0.000139157% change) large trace change predicted (0.000337847%) linmin: converged after 2 iterations. iteration 124: trace = 0.0005431826959961974 (0.000337842% change) linmin: converged after 2 iterations. iteration 125: trace = 0.000543179521609897 (0.000584407% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005431788940633948 (0.000115532% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005431787781330771 (2.13429e-05% change) large trace change predicted (0.000240786%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005431774702791236 (0.000240778% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005431773353970666 (2.4832e-05% change) large trace change predicted (0.000112502%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005431767243155191 (0.000112501% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005431767142489218 (1.85328e-06% change) large trace change predicted (2.02553e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005431766042266928 (2.02553e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005431765741613742 (5.53509e-06% change) large trace change predicted (3.94766e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005431763597343601 (3.94765e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005431763503041117 (1.73613e-06% change) large trace change predicted (2.12872e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005431762346775193 (2.12871e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005431762149598008 (3.63008e-06% change) large trace change predicted (1.89982e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005431761117661102 (1.89982e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005431761082614662 (6.45213e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 elapsed time for k point: 1.4098320007324219 total elapsed time for run: 1.4285199642181396 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.01862645149230957 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396294122459342 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327637332042484 (5.04101% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313625235226447 (1.06102% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142626466081183 (13.9236% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057784268141234 (7.71149% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101363985755588 (4.26223% change) linmin: converged after 6 iterations. iteration 7: trace = 0.00989707820952058 (2.3892% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008886564416139161 (10.7595% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008565145991401027 (3.68352% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008397849844174292 (1.97248% change) large trace change predicted (5.94936%) linmin: converged after 8 iterations. iteration 11: trace = 0.007175141845432881 (15.7029% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006939886279340907 (3.33341% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006754220864507001 (2.71161% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005999068791962081 (11.8425% change) linmin: converged after 5 iterations. iteration 15: trace = 0.0058281432951154 (2.89038% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005499745249140956 (5.79805% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004689705950892465 (15.8996% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004548216263075897 (3.06324% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004494400626857838 (1.19027% change) large trace change predicted (8.55502%) linmin: converged after 6 iterations. iteration 20: trace = 0.003852697661217761 (15.3755% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00340144141458563 (12.4413% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003342291500873249 (1.75422% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00321073386637918 (4.01517% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002909608419548036 (9.84015% change) linmin: converged after 4 iterations. iteration 25: trace = 0.00283313570204534 (2.66328% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002795671508297314 (1.33116% change) large trace change predicted (6.68769%) linmin: converged after 5 iterations. iteration 27: trace = 0.002551161055532764 (9.14599% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002146624058585261 (17.2225% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002047335440864749 (4.73484% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002021075958936253 (1.2909% change) large trace change predicted (3.49827%) linmin: converged after 4 iterations. iteration 31: trace = 0.001943283503181491 (3.92459% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001807179549767166 (7.25798% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001763263473829649 (2.45998% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001737800359338515 (1.45459% change) large trace change predicted (5.25882%) linmin: converged after 4 iterations. iteration 35: trace = 0.001633741627736746 (6.17277% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001441114809892523 (12.5292% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001370755783738239 (5.00443% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001346317415236346 (1.79887% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001298937134882012 (3.58229% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001218627642660845 (6.37993% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001185961764721644 (2.71696% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001174813105179725 (0.944492% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001153265562994512 (1.8511% change) large trace change predicted (5.22719%) linmin: converged after 4 iterations. iteration 44: trace = 0.001087433671155279 (5.87601% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001034298521885585 (5.00866% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00101785103501322 (1.60295% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001004519468269755 (1.31841% change) large trace change predicted (3.61609%) linmin: converged after 3 iterations. iteration 48: trace = 0.000966593968775963 (3.84813% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0009133188303399611 (5.66783% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008935369733063531 (2.18964% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008868840069756368 (0.747348% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008772749495186759 (1.08936% change) large trace change predicted (2.44609%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008552392129446339 (2.54379% change) linmin: converged after 3 iterations. iteration 54: trace = 0.000838952470009195 (1.92266% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0008335405326943089 (0.64717% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0008288283473223893 (0.566924% change) large trace change predicted (1.66737%) linmin: converged after 4 iterations. iteration 57: trace = 0.0008147725921400057 (1.71036% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007900793485051223 (3.07732% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007778204750160264 (1.56373% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007726674683073802 (0.664695% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000764951390190671 (1.00364% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0007496428368889608 (2.02147% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0007398684201165854 (1.31243% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0007370458134004406 (0.38223% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0007351918599742778 (0.251855% change) large trace change predicted (0.666574%) linmin: converged after 4 iterations. iteration 66: trace = 0.0007302607013486256 (0.672988% change) large trace change predicted (1.44705%) linmin: converged after 4 iterations. iteration 67: trace = 0.0007195516691341203 (1.4773% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000712771360890298 (0.946757% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007101173341151617 (0.373048% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007093654384212544 (0.105939% change) large trace change predicted (0.55778%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007054115335799733 (0.558944% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007043508284997924 (0.15048% change) large trace change predicted (2.1297%) linmin: converged after 3 iterations. iteration 73: trace = 0.000689387783738453 (2.14718% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006869429879500523 (0.355263% change) large trace change predicted (3.46402%) linmin: converged after 3 iterations. iteration 75: trace = 0.000663241973037774 (3.51078% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006461474496980401 (2.61107% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006453825708277717 (0.118445% change) linmin: converged after 3 iterations. iteration 78: trace = 0.000644771042408771 (0.0947993% change) large trace change predicted (0.757839%) linmin: converged after 3 iterations. iteration 79: trace = 0.0006399009415597467 (0.758186% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0006345766138962792 (0.835531% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0006342779858428429 (0.0470705% change) large trace change predicted (0.197479%) linmin: converged after 3 iterations. iteration 82: trace = 0.0006330287779099248 (0.197144% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0006328503458957967 (0.028191% change) large trace change predicted (0.477008%) linmin: converged after 3 iterations. iteration 84: trace = 0.0006298664595372162 (0.472614% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0006297884416291778 (0.0123872% change) large trace change predicted (0.134896%) linmin: converged after 3 iterations. iteration 86: trace = 0.0006289405513806965 (0.134722% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000628899974773689 (0.00645179% change) large trace change predicted (0.114108%) linmin: converged after 2 iterations. iteration 88: trace = 0.0006281819528922642 (0.114236% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0006281612812704136 (0.00329076% change) large trace change predicted (0.19915%) linmin: converged after 4 iterations. iteration 90: trace = 0.0006269048027433132 (0.200225% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0006268416995436522 (0.0100663% change) large trace change predicted (0.0707117%) linmin: converged after 4 iterations. iteration 92: trace = 0.0006263980312008425 (0.0708034% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0006263687788696307 (0.00467004% change) large trace change predicted (0.100754%) linmin: converged after 2 iterations. iteration 94: trace = 0.0006257376260450361 (0.100815% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0006254476225700605 (0.0463566% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0006249214954457557 (0.0841555% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0006249085073483286 (0.00207838% change) large trace change predicted (0.0655912%) linmin: converged after 2 iterations. iteration 98: trace = 0.0006244969880428537 (0.0658744% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0006243594162144645 (0.0220316% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0006242411519433767 (0.0189435% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0006242120429824835 (0.0046632% change) large trace change predicted (0.0168475%) linmin: converged after 2 iterations. iteration 102: trace = 0.0006241068170756991 (0.0168588% change) linmin: converged after 3 iterations. iteration 103: trace = 0.000624013238722175 (0.0149951% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0006240067268226183 (0.00104356% change) large trace change predicted (0.0183095%) linmin: converged after 3 iterations. iteration 105: trace = 0.0006238926340011864 (0.0182856% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0006238881804011359 (0.000713843% change) large trace change predicted (0.0117224%) linmin: converged after 3 iterations. iteration 107: trace = 0.0006238150679887561 (0.0117195% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0006238111858541368 (0.000622323% change) large trace change predicted (0.0102983%) linmin: converged after 2 iterations. iteration 109: trace = 0.0006237468869857381 (0.010308% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000623743326660812 (0.000570798% change) large trace change predicted (0.00283281%) linmin: converged after 2 iterations. iteration 111: trace = 0.0006237256523971056 (0.00283362% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0006237252184688532 (6.95704e-05% change) large trace change predicted (0.00313033%) linmin: converged after 2 iterations. iteration 113: trace = 0.0006237056946706671 (0.00313024% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0006237007607944512 (0.000791062% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0006236986742965005 (0.000334536% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000623697778498448 (0.000143627% change) large trace change predicted (0.0013261%) linmin: converged after 2 iterations. iteration 117: trace = 0.0006236895075212086 (0.00132613% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0006236808514364127 (0.00138789% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0006236804477339186 (6.4729e-05% change) large trace change predicted (0.000231625%) linmin: converged after 2 iterations. iteration 120: trace = 0.0006236790031522427 (0.000231622% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0006236775448099834 (0.000233829% change) large trace change predicted (0.000893709%) linmin: converged after 3 iterations. iteration 122: trace = 0.0006236719715208735 (0.000893621% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0006236719287778083 (6.85345e-06% change) large trace change predicted (0.000268391%) linmin: converged after 2 iterations. iteration 124: trace = 0.0006236702549673367 (0.00026838% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0006236701591373879 (1.53655e-05% change) large trace change predicted (0.000167545%) linmin: converged after 2 iterations. iteration 126: trace = 0.0006236691142128373 (0.000167545% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0006236690826243759 (5.06494e-06% change) large trace change predicted (5.07594e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0006236687660521753 (5.07597e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0006236687434016006 (3.63183e-06% change) large trace change predicted (3.23205e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0006236685418293258 (3.23204e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0006236684592828817 (1.32356e-05% change) large trace change predicted (2.8915e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0006236682789503639 (2.89148e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0006236681122852517 (2.67234e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0006236680961513047 (2.58694e-06% change) large trace change predicted (1.20072e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000623668021265655 (1.20073e-05% change) large trace change predicted (3.59892e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0006236677968098799 (3.59896e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0006236677322588586 (1.03502e-05% change) linmin: converged after 1 iterations. iteration 138: trace = 0.0006236677264374833 (9.3341e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 elapsed time for k point: 1.3774359226226807 total elapsed time for run: 1.3961317539215088 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.014537572860717773 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777714664 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684379137825 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325504767729 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107375005632 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169175339375 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490401426092 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993337365355 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068471211492 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042059079865 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268487176006 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915033229693 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447360048019 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462502915275 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808450994881 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690963924738635 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359508692909242 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560607785792776 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220513395261 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098356079333 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725891995251578 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651711028274 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890486465157 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308991731852105 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789088865306127 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905417307022 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218255004265 (1.36254% change) large trace change predicted (6.80506%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438970620748649 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189439707574 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181199991457 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998595881864 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919621318485 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173099892836 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646415904548643 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123158550252 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527365709879191 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717514518891 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255605936798469 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184429300583 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709348123899 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235085925415 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435601355861 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218102265449 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833228231255 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987653737035624 (6.19867% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353331996882992 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190902454992681 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058432716870005 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679702052056745 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163905684561146 (6.12454% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981007598691239 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920806224588651 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831093799169881 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615281850388767 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452606117657019 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399618151057359 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354447922297769 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218265362412171 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000697856188177079 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862156205563847 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814084079920771 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741504129083885 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599992909217021 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513436270725466 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488234806081219 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469458212858577 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416678507492177 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315481800942865 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260133894750784 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237060645345516 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229820697130229 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191860209832679 (0.611197% change) large trace change predicted (1.75539%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083342491997321 (1.76808% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039816651696602 (0.718061% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953484410814782 (1.43967% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790995758315432 (2.76706% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661273599037 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632765099685388 (0.0682848% change) large trace change predicted (0.152934%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624156810539749 (0.152942% change) large trace change predicted (0.911932%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573060269262937 (0.912665% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534006161062365 (0.70323% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527443191066584 (0.118664% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552321941087918 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515158430645728 (0.146054% change) large trace change predicted (0.4562%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490274322829425 (0.452215% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486973491247433 (0.0601395% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485468627342601 (0.0274299% change) large trace change predicted (0.104833%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479724982133001 (0.104761% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475044292173427 (0.0854548% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473523724160804 (0.0277766% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472797511589897 (0.0132686% change) large trace change predicted (0.180542%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462878420895008 (0.181408% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461204694109087 (0.0306429% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458502963189519 (0.0494836% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457795958088253 (0.0129532% change) large trace change predicted (0.0900913%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452879826596135 (0.090116% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451433594486787 (0.0265259% change) large trace change predicted (0.0932206%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446351038593462 (0.0932769% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446244809466873 (0.00195048% change) large trace change predicted (0.0828769%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441708676880529 (0.0833239% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441560011681691 (0.002732% change) large trace change predicted (0.0234907%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440279807558005 (0.0235292% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440224863447266 (0.00100996% change) large trace change predicted (0.0204396%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439112184856256 (0.0204549% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439049728355746 (0.00114829% change) large trace change predicted (0.011884%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438403475056866 (0.0118824% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438367330665794 (0.000664616% change) large trace change predicted (0.0154665%) linmin: converged after 3 iterations. iteration 107: trace = 0.000543752697087774 (0.0154536% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437509115474623 (0.000328374% change) large trace change predicted (0.011514%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436883284916223 (0.0115102% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436849331146313 (0.00062451% change) large trace change predicted (0.00985792%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436313037312725 (0.00986454% change) linmin: converged after 2 iterations. iteration 112: trace = 0.000543628223359947 (0.00056663% change) large trace change predicted (0.00213147%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436166343014158 (0.00213182% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436156475184067 (0.000181522% change) large trace change predicted (0.00286181%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436000893753474 (0.00286202% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435987502667296 (0.000246341% change) large trace change predicted (0.00070217%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435949333241007 (0.000702164% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435930347529871 (0.000349263% change) large trace change predicted (0.00086659%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435883240482468 (0.00086659% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435871532213766 (0.000215389% change) large trace change predicted (0.000869521%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435824266264684 (0.000869523% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435804116347931 (0.000370688% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435791733251679 (0.000227806% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435778115970986 (0.000250512% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435752134192813 (0.000477978% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435740105292129 (0.000221293% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435737678654199 (4.46423e-05% change) large trace change predicted (0.000217273%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435725868624831 (0.000217267% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435725178690948 (1.26926e-05% change) large trace change predicted (0.000125579%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435718352625732 (0.000125578% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435718240520756 (2.06238e-06% change) large trace change predicted (1.96195e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435717174059936 (1.96195e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435717029106233 (2.66669e-06% change) large trace change predicted (4.27178e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435714707094402 (4.27177e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435714592337895 (2.11116e-06% change) large trace change predicted (2.06103e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435713472024306 (2.06102e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435713377516348 (1.73865e-06% change) large trace change predicted (2.10132e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435712235298091 (2.10132e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435712197209179 (7.00716e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.5774784088134766 total elapsed time for run: 1.59208345413208 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.014566183090209961 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396282863191971 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327661774820583 (5.03836% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313475705921865 (1.07424% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142848206012068 (13.8929% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105745914603802 (7.76156% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012549991920008 (4.33903% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009886881715102248 (2.38471% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008866172559986736 (10.8858% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008540877170779537 (3.73751% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008362498806995414 (2.11056% change) large trace change predicted (6.02681%) linmin: converged after 8 iterations. iteration 11: trace = 0.007124056947380951 (15.9938% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006890108051135823 (3.33875% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006697796647905136 (2.83063% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005932474498657827 (12.1189% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005760215701243487 (2.94644% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005429156740668333 (5.91738% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004623726930956197 (16.0239% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004483952645945583 (3.06937% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004429612849642655 (1.21926% change) large trace change predicted (8.67783%) linmin: converged after 6 iterations. iteration 20: trace = 0.003789077339118057 (15.5873% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003338025666279788 (12.6574% change) linmin: converged after 3 iterations. iteration 22: trace = 0.00327898744641217 (1.78444% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003149820606564701 (4.01838% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002848331511886086 (10.0527% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002770456695464114 (2.77194% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002733517993169456 (1.34226% change) large trace change predicted (6.7119%) linmin: converged after 5 iterations. iteration 27: trace = 0.00249541866449024 (9.10699% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002090277746198257 (17.6698% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001989520888825912 (4.93931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001963871598318604 (1.29758% change) large trace change predicted (3.47594%) linmin: converged after 4 iterations. iteration 31: trace = 0.001888954636065791 (3.88894% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001749742206438526 (7.65177% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001703401511992632 (2.68397% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001678658569913396 (1.46319% change) large trace change predicted (5.18144%) linmin: converged after 4 iterations. iteration 35: trace = 0.001580381819025861 (6.03102% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001385927759964756 (13.1108% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00131210670344504 (5.47221% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001288217074245376 (1.83743% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00124481280291372 (3.42706% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001167068511292494 (6.44678% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001133684462048501 (2.90201% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001122485570886648 (0.992735% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001101592563319621 (1.8788% change) large trace change predicted (5.3706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001037151673680227 (6.02605% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009842870945510444 (5.23039% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009678995947540669 (1.67889% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009546160438150928 (1.38189% change) large trace change predicted (3.80118%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009167470664856399 (4.04721% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008643207672027525 (5.88706% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008453159364097478 (2.22326% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008390202919907254 (0.747552% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008298051200213573 (1.10439% change) large trace change predicted (2.55833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008080190557803306 (2.66037% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007916285670295825 (2.04926% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007862346773215591 (0.683695% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007816219256395592 (0.588415% change) large trace change predicted (1.73592%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007678304831492513 (1.78017% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007435387853682708 (3.21453% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007315946497627243 (1.6194% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007266202507370197 (0.682259% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007191451122385416 (1.03407% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0007044525977511783 (2.06414% change) linmin: converged after 4 iterations. iteration 63: trace = 0.000695282534000708 (1.31026% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006926243539884183 (0.383049% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006907570462260792 (0.269963% change) large trace change predicted (0.737695%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006856288673866012 (0.745166% change) large trace change predicted (1.50311%) linmin: converged after 4 iterations. iteration 67: trace = 0.0006751905099789865 (1.53413% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006690887107595544 (0.907817% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006666308441647106 (0.368021% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000665894766388085 (0.110479% change) large trace change predicted (0.583051%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006620147964762438 (0.584373% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006593874374263351 (0.397662% change) large trace change predicted (1.97433%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006463944470280221 (1.99007% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006439167969048978 (0.384039% change) large trace change predicted (3.60299%) linmin: converged after 3 iterations. iteration 75: trace = 0.0006208046970256257 (3.65489% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006051224312618966 (2.55843% change) linmin: converged after 2 iterations. iteration 77: trace = 0.000604072952216302 (0.173583% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006035815759969485 (0.081377% change) large trace change predicted (0.878809%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005982971756225091 (0.879357% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005936478812236818 (0.780119% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005932851237798021 (0.0611252% change) large trace change predicted (0.129434%) linmin: converged after 3 iterations. iteration 82: trace = 0.0005925186070023991 (0.129282% change) linmin: converged after 3 iterations. iteration 83: trace = 0.000591960055657803 (0.0943118% change) large trace change predicted (0.482135%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005891395700538928 (0.477603% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005890401124208346 (0.0168833% change) large trace change predicted (0.0998023%) linmin: converged after 3 iterations. iteration 86: trace = 0.0005884530666239399 (0.0997111% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005882459274655779 (0.0352068% change) large trace change predicted (0.114927%) linmin: converged after 4 iterations. iteration 88: trace = 0.0005875693650862351 (0.11508% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000587543305272246 (0.00443529% change) large trace change predicted (0.146911%) linmin: converged after 4 iterations. iteration 90: trace = 0.0005866773124815705 (0.147501% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0005863762211877528 (0.0513346% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005859485425552975 (0.0729625% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005859110908195348 (0.00639185% change) large trace change predicted (0.101499%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005853164619594724 (0.101539% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005852989941774284 (0.00298438% change) large trace change predicted (0.116394%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005846175651491142 (0.116492% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005845742989223282 (0.00740105% change) large trace change predicted (0.0708106%) linmin: converged after 3 iterations. iteration 98: trace = 0.0005841585976179939 (0.0711371% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005841389166807432 (0.00336917% change) large trace change predicted (0.0329036%) linmin: converged after 2 iterations. iteration 100: trace = 0.0005839462671581598 (0.0329855% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005839312924220021 (0.00256444% change) large trace change predicted (0.020159%) linmin: converged after 2 iterations. iteration 102: trace = 0.0005838134979407432 (0.0201747% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005837926977464084 (0.00356288% change) large trace change predicted (0.0112663%) linmin: converged after 3 iterations. iteration 104: trace = 0.0005837269323053717 (0.0112658% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005837235328225447 (0.000582377% change) large trace change predicted (0.0172364%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005836230367732186 (0.0172179% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005836125833709429 (0.00179114% change) large trace change predicted (0.0105648%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005835509463284357 (0.0105619% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000583548943557202 (0.000343205% change) large trace change predicted (0.0100451%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005834902830011359 (0.0100529% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005834861943973579 (0.000700717% change) large trace change predicted (0.00228227%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005834728751719851 (0.00228272% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005834693550790069 (0.000603302% change) large trace change predicted (0.00250098%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005834547623777851 (0.00250105% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005834540404858312 (0.000123727% change) large trace change predicted (0.000981181%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005834483159081683 (0.000981158% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005834430901088896 (0.000895679% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005834414461653333 (0.000281766% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005834400433657492 (0.000240436% change) large trace change predicted (0.00122504%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005834328958089031 (0.00122508% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005834306998253623 (0.000376391% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005834302300646657 (8.0517e-05% change) large trace change predicted (0.000409962%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005834278383109859 (0.000409948% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005834254794106206 (0.000404318% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005834241979465602 (0.000219645% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005834239135666899 (4.87433e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.000583423502971132 (7.03769e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.000583422949230357 (9.49124e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005834227993077978 (2.56971e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005834227684917472 (5.28194e-06% change) large trace change predicted (3.57128e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005834225601355955 (3.57127e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005834225295461993 (5.24309e-06% change) large trace change predicted (2.86351e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.000583422362483298 (2.8635e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005834223464450269 (2.749e-06% change) large trace change predicted (2.51074e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005834221999629405 (2.51074e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.00058342219538993 (7.83825e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 elapsed time for k point: 2.196497917175293 total elapsed time for run: 2.2111339569091797 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.018603086471557617 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790268 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.0132768437898853 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801723 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373087121 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201356 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408594478 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404148784 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608208342 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.00851704222118967 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739342033 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363859004 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679768137 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857760522 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909872059 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.00569096440599527 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169257514 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.00456060821010163 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918456057 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767679029 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430729385 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527304132 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899247688 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728392793 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266694633 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816060592 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653116322 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243897101418499 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00203418982666898 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583112908 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976138277 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919992986375 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476476021 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286574502 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538390835 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074183369 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884040442 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316142469 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805750662 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709301622 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433342012 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949626725 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450353899 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573672995 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987654075150004 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335328902478 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772391868 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.000905843603216562 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371086195 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908944570634 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010810609025 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420089687 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983086388 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021284734 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609270861203 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621294935281 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060384531 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493096498 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564988841939 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288337826 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087151743126 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190228429 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995939804922 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.000651343926804659 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794191125 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.000646946120148165 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.000641668150522155 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776209362 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834488207 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063575942236 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823626969904 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.000619186313363401 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731002494 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819543710381 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481802038172 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597029591 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393466568 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767884740382 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234450237 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060494775 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553400878652251 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445946537723 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222163975608 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161191541144 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276985997455 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623118544 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471396887906 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715173951 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960304025 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526468641912 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290351699 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158369006 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310184977 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505697904451 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798750558736 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561276532 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125152974 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353772540491 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544126957 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389173067 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712543187 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539104994 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.000544022759221365 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114907770442 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.000543905244210137 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406201691171 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058016967 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529695585573 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838185131 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886018592078 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000543685205660315 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315751933429 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284957862589 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543616907074114 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200036227 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003612569438 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227288949 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063251706 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933071971916 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960222554 (0.000866676% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874256683229 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826997818801 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806840891876 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794453874277 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840457302 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863202293 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.000543574282977934 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740401792663 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593115397 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.000543572790346718 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077078849 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720964946914 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898524405 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719753635313 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717431546869 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717316753547 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196484011 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102019965 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714959753406 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.000543571492165385 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 2.0586938858032227 total elapsed time for run: 2.089421033859253 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.01456594467163086 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396277298196032 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327673301526956 (5.0371% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313400658270516 (1.08082% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114297290608976 (13.8764% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057309468687718 (7.78659% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012016037562427 (4.3776% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009881894700145501 (2.38241% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008856077207278063 (10.9491% change) linmin: converged after 6 iterations. iteration 9: trace = 0.00852889711208356 (3.76394% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008344493547057696 (2.18573% change) large trace change predicted (6.06381%) linmin: converged after 8 iterations. iteration 11: trace = 0.007099225571323723 (16.1265% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006865992373895782 (3.3402% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00667070716334527 (2.88527% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00589915660385347 (12.2762% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005725769822099184 (2.98302% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005394233041223711 (5.96289% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004591812089424818 (16.0708% change) linmin: converged after 4 iterations. iteration 18: trace = 0.00445313251050142 (3.06646% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004398441239820115 (1.23574% change) large trace change predicted (8.74475%) linmin: converged after 6 iterations. iteration 20: trace = 0.003757498063073872 (15.7172% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003307049624969673 (12.7524% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003248169195357291 (1.79644% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003119780808147482 (4.03233% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002818482765278311 (10.1477% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002740289464254404 (2.81333% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002703514636485685 (1.35107% change) large trace change predicted (6.74778%) linmin: converged after 5 iterations. iteration 27: trace = 0.002467359186283222 (9.13406% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002062259933127763 (17.8867% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001961187580402064 (5.02417% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001935785449808109 (1.30369% change) large trace change predicted (3.47972%) linmin: converged after 4 iterations. iteration 31: trace = 0.001861930146333954 (3.88946% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001721746455471433 (7.82346% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001674547855855682 (2.77942% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001650063402976132 (1.47292% change) large trace change predicted (5.17495%) linmin: converged after 4 iterations. iteration 35: trace = 0.001553854523947406 (6.0057% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001358699736264833 (13.4009% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001283533375633954 (5.68961% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001259889741029367 (1.8592% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001218118516427464 (3.37135% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001141570259086561 (6.488% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001107914320244999 (2.99232% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001096696612124706 (1.01766% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00107608511348011 (1.89725% change) large trace change predicted (5.44733%) linmin: converged after 4 iterations. iteration 44: trace = 0.001012315861074889 (6.10699% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009596843822365965 (5.33788% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009433542370176429 (1.71622% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009300901235621667 (1.41601% change) large trace change predicted (3.90141%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008922288348191729 (4.15529% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008402236786292222 (6.00365% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008215818528877113 (2.24356% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008154335389723907 (0.751161% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008063590029107708 (1.11907% change) large trace change predicted (2.62064%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007846792856303563 (2.72523% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007683178497697246 (2.10708% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007629615245124783 (0.699588% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007583989713909217 (0.599799% change) large trace change predicted (1.77635%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007447092847884817 (1.82152% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007205764148180748 (3.29395% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007087748391403244 (1.65132% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007038858193914895 (0.692172% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006965316867071886 (1.05028% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006821310634054504 (2.08907% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006732272502924638 (1.31387% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006706397275840157 (0.385086% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006687664955433125 (0.279711% change) large trace change predicted (0.773811%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006635582625729859 (0.781826% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006532764523642646 (1.56159% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000647471635683386 (0.892535% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006450938580202934 (0.367916% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006443641358049454 (0.113183% change) large trace change predicted (0.596167%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006405250771876931 (0.59757% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006341861459408103 (0.994567% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006251090623055943 (1.44161% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006222593712673886 (0.456912% change) large trace change predicted (3.61349%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005998530474227994 (3.66682% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000584377672190079 (2.61357% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005836056887257933 (0.132191% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005831765145368019 (0.0735654% change) large trace change predicted (0.940528%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005777134988166324 (0.941177% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005735210833030355 (0.728334% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005729501811564757 (0.0995929% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005724824656888314 (0.0816662% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005716748811387682 (0.141167% change) large trace change predicted (0.473833%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005689973367340476 (0.469468% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005688164359378534 (0.031798% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005685241086939911 (0.0514054% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005680601706819044 (0.0816372% change) linmin: converged after 4 iterations. iteration 88: trace = 0.0005674452625840404 (0.108306% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005673892515685999 (0.00987122% change) large trace change predicted (0.0466111%) linmin: converged after 2 iterations. iteration 90: trace = 0.0005671245107237177 (0.0466704% change) large trace change predicted (0.149567%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005662735341357651 (0.150164% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005659201341625185 (0.0624275% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005658242203234273 (0.0169497% change) large trace change predicted (0.0719274%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005654172724822857 (0.0719471% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005652372676748607 (0.0318408% change) large trace change predicted (0.0910646%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005647224630710792 (0.0911191% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005645479868322843 (0.0309007% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005643908579115849 (0.0278366% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005641061419384266 (0.0504593% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005639955170980961 (0.0196126% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005639228619948328 (0.012883% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005638118885822105 (0.0196808% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005638049972376018 (0.00122228% change) large trace change predicted (0.0112905%) linmin: converged after 3 iterations. iteration 104: trace = 0.000563741348089987 (0.0112899% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005637272110879474 (0.00250774% change) large trace change predicted (0.0167509%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005636328809173244 (0.0167347% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005636302139016803 (0.000473184% change) large trace change predicted (0.011255%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005635668014332474 (0.0112514% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005635622082828253 (0.000815018% change) large trace change predicted (0.0100084%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005635057669609721 (0.0100156% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005635037764394931 (0.00035324% change) large trace change predicted (0.0026277%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005634889662202282 (0.00262827% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005634882607324401 (0.0001252% change) large trace change predicted (0.00291264%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005634718475843435 (0.00291282% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005634714736823187 (6.63568e-05% change) large trace change predicted (0.000998649%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005634658467070818 (0.000998631% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005634622717771309 (0.000634456% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000563459231407282 (0.000539589% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005634586824728996 (9.74222e-05% change) large trace change predicted (0.00131778%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005634512572225869 (0.00131781% change) linmin: converged after 2 iterations. iteration 121: trace = 0.000563449541599581 (0.000304485% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005634488966648199 (0.000114462% change) large trace change predicted (0.000368054%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005634468229267067 (0.000368044% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005634443003502092 (0.000447705% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005634433325083529 (0.000171773% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005634428207723486 (9.0823e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005634422976097212 (9.28511e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005634420043699701 (5.20443e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.000563441846756934 (2.79733e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005634418013849262 (8.05265e-06% change) large trace change predicted (3.45757e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005634416065711358 (3.45757e-05% change) linmin: converged after 1 iterations. iteration 132: trace = 0.0005634415918236781 (2.61739e-06% change) large trace change predicted (2.99597e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.000563441423019242 (2.99595e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005634414058051567 (3.05517e-06% change) large trace change predicted (2.45802e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000563441267310489 (2.45801e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005634412596039246 (1.36777e-06% change) large trace change predicted (3.39941e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.000563441068065134 (3.39945e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.000563441055533467 (2.22413e-06% change) large trace change predicted (8.09133e-06%) linmin: converged after 2 iterations. iteration 139: trace = 0.0005634410099435899 (8.09133e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0005634410032175157 (1.19375e-06% change) large trace change predicted (4.46351e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0005634409780683264 (4.4635e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0005634409654746057 (2.23514e-06% change) large trace change predicted (1.00797e-05%) linmin: converged after 2 iterations. iteration 143: trace = 0.000563440908681759 (1.00796e-05% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0005634408822215145 (4.69619e-06% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0005634408794977984 (4.83408e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 elapsed time for k point: 1.8104591369628906 total elapsed time for run: 1.825096845626831 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.014561891555786133 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790279 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988494 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801603 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373144121 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177222653 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408588507 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993403842299 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607488024 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042220860731 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268738647074 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915362624252 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447678833311 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00664446285672118 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909923032 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406404344 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169344881 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608209595262 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220917694077 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767029675 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892431128894 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527324271 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899157785 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728547439 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266618841 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815738305 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218652875282 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243897101490796 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189827192646 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583249696 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976246106 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993232512 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00169417347662858 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00164641628661143 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538465078 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074588424 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884497108 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316413764 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805990462 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709568645 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433540852 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949737259 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450456544 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573828031 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540753778747 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335330162741 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773283304 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436033259624 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705373050075 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908946178317 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.000798101081167986 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809421090972 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096984263138 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285022581599 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.00074526092717319 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.000739962129565436 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.000735445106115202 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268494206957 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564990025276 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159289314136 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152697722 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507191304969 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940863893 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268837216 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794904634 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202214508 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681506092607 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477707126 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835193845 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576621431 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627653167 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134314227 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344730353767 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544200522 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481792472999 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597313385 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393738378 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885227017 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234313865 (0.152949% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060820175 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553400878679191 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947027221 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552322216445876 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192022421 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986335131 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231642433 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397401571 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715635808 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960657026 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646911789 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290891111 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158850852 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310462049 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698385592 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751141933 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.000545288256175192 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125284867 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773024541 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544612204 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389625204 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712975067 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539585556 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689452 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908238702 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442553742 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202165286 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492352 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696057163 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838653327 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019079089 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057075703 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752388618 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.000543628495833425 (0.000566452% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071218295 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200508298 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613031127 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227760568 (0.000246234% change) large trace change predicted (0.00070207%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063733042 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.00054359330724436 (0.000349365% change) large trace change predicted (0.000866677%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960685875 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257154743 (0.000215301% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998302949 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841363679 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454339354 (0.000227879% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840929216 (0.00025044% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863682015 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830251136 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402262138 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593587193 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903939494 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077550639 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965418655 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898996206 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754107222 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432018639 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317225239 (2.11184e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196955787 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102491798 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960225195 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922125603 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.5862929821014404 total elapsed time for run: 1.6009278297424316 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.026621341705322266 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627453234668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327678895732443 (5.03648% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313363091101697 (1.0841% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143038892737028 (13.8678% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057238111550542 (7.79909% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011752134406265 (4.39693% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009879432781964499 (2.38125% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008851061111638534 (10.9807% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008522952955235046 (3.777% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008335408564975862 (2.22494% change) large trace change predicted (6.08184%) linmin: converged after 8 iterations. iteration 11: trace = 0.007087003152221757 (16.1895% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006854146058619612 (3.34057% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006657474932032057 (2.91114% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005882487151484895 (12.3603% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005708413868474088 (3.00362% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005376848409001793 (5.98209% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004576121726576717 (16.0902% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004438061818876427 (3.06317% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004383166022229881 (1.24463% change) large trace change predicted (8.78014%) linmin: converged after 6 iterations. iteration 20: trace = 0.003741707625373545 (15.79% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003291730464789618 (12.7954% change) linmin: converged after 3 iterations. iteration 22: trace = 0.00323296361365317 (1.80137% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003104832650725999 (4.04339% change) linmin: converged after 6 iterations. iteration 24: trace = 0.0028037328238545 (10.192% change) linmin: converged after 4 iterations. iteration 25: trace = 0.00272549979575612 (2.8298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.00268877892825142 (1.35645% change) large trace change predicted (6.77346%) linmin: converged after 5 iterations. iteration 27: trace = 0.002453217042843278 (9.16227% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002048239457654706 (17.9932% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001947146666235006 (5.06048% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001921857262687753 (1.30728% change) large trace change predicted (3.48607%) linmin: converged after 4 iterations. iteration 31: trace = 0.001848427637430311 (3.89518% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001707910804241009 (7.90233% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001660392701845439 (2.82149% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001636012398390305 (1.47921% change) large trace change predicted (5.18152%) linmin: converged after 4 iterations. iteration 35: trace = 0.001540609388307187 (6.00657% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001345179666361946 (13.5443% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00126948431086243 (5.79006% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001245954740020698 (1.87081% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001204877460885485 (3.35211% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001128884041191235 (6.51253% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001095136827332115 (3.03479% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001083916132125791 (1.02987% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00106342611885985 (1.90841% change) large trace change predicted (5.48869%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009999651603088994 (6.15113% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009474780947119102 (5.39036% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009311870209203887 (1.73432% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009179318603988158 (1.43367% change) large trace change predicted (3.95373%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008800680621571141 (4.21177% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008282748494238419 (6.06356% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0008098098649172428 (2.25446% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008037279075855603 (0.753866% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007947097632042897 (1.12837% change) large trace change predicted (2.65329%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007730802281605836 (2.75924% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007567571125206468 (2.13397% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007514269868356672 (0.706827% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007468879959237339 (0.605879% change) large trace change predicted (1.79868%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007332382937661766 (1.8444% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007091847742736814 (3.33515% change) linmin: converged after 4 iterations. iteration 59: trace = 0.000697460119984083 (1.66704% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006926125255783699 (0.697459% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006853107693224471 (1.05982% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006710414599140188 (2.10407% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006622634864220272 (1.31672% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006597098242442245 (0.386341% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006578341892558789 (0.284717% change) large trace change predicted (0.792077%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006525900725209967 (0.800369% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006423889616197569 (1.57549% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006367222354210428 (0.886041% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006343807372669772 (0.36842% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006336539383400986 (0.114634% change) large trace change predicted (0.602878%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006298361502094541 (0.604324% change) large trace change predicted (1.59666%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006197950781763823 (1.60705% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006145237767948023 (0.854123% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006094352906658932 (0.83148% change) large trace change predicted (3.28752%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005894510814058584 (3.3338% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005738959982001474 (2.67419% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005734237191063654 (0.0823274% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005728368908955536 (0.10239% change) large trace change predicted (0.937866%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005674860400448248 (0.93848% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005634781462098142 (0.708757% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005628279215109654 (0.115461% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005624017587877296 (0.0757468% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005615784927448529 (0.146491% change) large trace change predicted (0.462977%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005590077500636137 (0.458821% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005587368022581278 (0.0484812% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005585444875679437 (0.0344255% change) large trace change predicted (0.09806%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005579974550806457 (0.0979869% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005574604311140524 (0.0962876% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005573550114431289 (0.0189125% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000557236712140031 (0.0212274% change) large trace change predicted (0.173746%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005562649121681097 (0.174548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005560155450830856 (0.0448389% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005558214414828518 (0.0349158% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005556746092777762 (0.0264206% change) large trace change predicted (0.0768704%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005552475305163842 (0.0768873% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005549565391509682 (0.0524212% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005545759625776974 (0.0686012% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005545580258742105 (0.00323436% change) large trace change predicted (0.0788885%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005541184642602463 (0.0792948% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005540827416426181 (0.00644696% change) large trace change predicted (0.0221441%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005539598645880117 (0.0221791% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005539509641402986 (0.00160671% change) large trace change predicted (0.0194904%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005538429307990059 (0.0195042% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005538212510814802 (0.00391449% change) large trace change predicted (0.00948118%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005537687493451267 (0.00948036% change) linmin: converged after 3 iterations. iteration 106: trace = 0.0005537545264295007 (0.00256842% change) large trace change predicted (0.0139068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005536775826948541 (0.0138959% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005536699714180234 (0.00137469% change) large trace change predicted (0.0109183%) linmin: converged after 3 iterations. iteration 109: trace = 0.000553609541971647 (0.0109149% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005536073766928733 (0.000391121% change) large trace change predicted (0.00997282%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005535521304986146 (0.00997981% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005535500119164885 (0.000382726% change) large trace change predicted (0.00221526%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005535377473214456 (0.00221565% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005535371237615334 (0.00011265% change) large trace change predicted (0.00299101%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005535205665764597 (0.00299121% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005535202706804172 (5.34571e-05% change) large trace change predicted (0.00100099%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005535147301454523 (0.00100097% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005535144229078852 (5.55067e-05% change) large trace change predicted (0.00104748%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005535086249694815 (0.00104748% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005535083269111417 (5.38489e-05% change) large trace change predicted (0.00126845%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005535013059523242 (0.00126845% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005535011997657242 (1.91845e-05% change) large trace change predicted (0.000431366%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005534988122002452 (0.000431358% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005534985693850205 (4.38692e-05% change) large trace change predicted (0.000714089%) linmin: converged after 2 iterations. iteration 125: trace = 0.0005534946171051055 (0.000714057% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005534945841831638 (5.94801e-06% change) large trace change predicted (0.000246508%) linmin: converged after 2 iterations. iteration 127: trace = 0.0005534932198247655 (0.000246499% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005534931321703183 (1.58366e-05% change) large trace change predicted (0.000135235%) linmin: converged after 2 iterations. iteration 129: trace = 0.0005534923836579644 (0.000135234% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005534923401820672 (7.85483e-06% change) large trace change predicted (2.09979e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005534922239600052 (2.0998e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005534922081138453 (2.86294e-06% change) large trace change predicted (4.04808e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005534919840565648 (4.04807e-05% change) linmin: converged after 1 iterations. iteration 134: trace = 0.0005534919663682655 (3.19576e-06% change) large trace change predicted (2.36162e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000553491835655066 (2.36161e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005534918255761874 (1.82096e-06% change) large trace change predicted (2.26881e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005534916999995936 (2.26881e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005534916950358864 (8.96799e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 elapsed time for k point: 1.8358609676361084 total elapsed time for run: 1.8625519275665283 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.018556594848632812 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988492 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801901 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086895 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201632 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.010114904085955 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404152084 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608214096 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221208209 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739370752 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363883305 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679798472 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857791814 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586580890994385 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406082881 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169326547 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210157557 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918506502 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767732578 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430815513 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651752737873 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899318571 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728471123 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266760042 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816117439 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653175258 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014266685 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826749606 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583188529 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976213356 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993059031 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476536888 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286631224 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538449003 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074250917 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884102342 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316196592 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805805558 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00119170970936277 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433404988 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949686181 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450412442 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573731395 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752091424 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329505629 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577299524 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032755809 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371634375 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945122433 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811180984 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420666169 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983658118 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021835698 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271400371 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295472298 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060919515 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493622616 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989352915 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288845188 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152251829 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190742478 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940329203 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268575549 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719898 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202007415 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505737842 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477672626 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000626013683501441 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576469151 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627496076 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134158947 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731370278 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544211068 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801312867 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597499504 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392587 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885225202 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234860933 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060958973 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786967546 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947017196 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450316 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192021463 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986437733 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623166275 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.000548547139736228 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715651212 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960744757 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646912068 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000547280029082484 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158847613 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310603968 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.00054585056983826 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751030312 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753774 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125531656 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016572 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603002 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648834 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713012351 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580679 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689676 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.000543911490824616 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442572321 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166766 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492498 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696060809 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000543751183865938 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019066618 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078605 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.000543631575240461 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338527 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216119 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511586 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613041888 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764274 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063726313 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447329 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.000543588596069549 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158588 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998293033 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367148 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454347649 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932745 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863676812 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254591 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590635 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077554107 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 2.0498440265655518 total elapsed time for run: 2.0684733390808105 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.01863408088684082 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988492 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801901 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086895 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201632 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.010114904085955 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404152084 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608214096 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221208209 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739370752 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363883305 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679798472 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857791814 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586580890994385 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406082881 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169326547 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210157557 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918506502 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767732578 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430815513 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651752737873 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899318571 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728471123 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266760042 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816117439 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653175258 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014266685 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826749606 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583188529 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976213356 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993059031 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476536888 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286631224 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538449003 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074250917 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884102342 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316196592 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805805558 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00119170970936277 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433404988 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949686181 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450412442 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573731395 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752091424 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329505629 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577299524 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032755809 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371634375 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945122433 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811180984 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420666169 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983658118 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021835698 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271400371 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295472298 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060919515 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493622616 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989352915 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288845188 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152251829 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190742478 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940329203 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268575549 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719898 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202007415 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505737842 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477672626 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000626013683501441 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576469151 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627496076 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134158947 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731370278 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544211068 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801312867 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597499504 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392587 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885225202 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234860933 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060958973 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786967546 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947017196 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450316 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192021463 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986437733 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623166275 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.000548547139736228 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715651212 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960744757 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646912068 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000547280029082484 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158847613 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310603968 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.00054585056983826 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751030312 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753774 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125531656 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016572 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603002 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648834 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713012351 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580679 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689676 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.000543911490824616 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442572321 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166766 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492498 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696060809 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000543751183865938 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019066618 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078605 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.000543631575240461 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338527 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216119 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511586 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613041888 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764274 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063726313 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447329 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.000543588596069549 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158588 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998293033 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367148 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454347649 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932745 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863676812 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254591 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590635 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077554107 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 .elapsed time for k point: 1.9594032764434814 total elapsed time for run: 1.9781098365783691 done /tmp/meepuUBjUW/test_point_defect_state-0: 88.24s /tmp/meepuUBjUW/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013763904571533203 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.37281036376953125 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.066206932067871 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.21773958206176758 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.294741153717041 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.33981800079345703 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.42510414123535156 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.37474966049194336 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.2636885643005371 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.12052106857299805 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1258077621459961 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.17487001419067383 Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b01.te.h5... Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b02.te.h5... Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b03.te.h5... Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b04.te.h5... Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b05.te.h5... Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b06.te.h5... Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b07.te.h5... Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b08.te.h5... solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.1382896900177002 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.16810083389282227 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.21447277069091797 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.291515588760376 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 ..elapsed time for k point: 0.6375072002410889 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 5.5276899337768555 done /tmp/meepuUBjUW/test_poynting-0: 5.54s /tmp/meepuUBjUW/test_resolution-0 ======================== /tmp/meepuUBjUW/test_resolution-0: 0.00s /tmp/meepuUBjUW/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013554096221923828 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.29299259185791016 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9307928085327148 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.20521879196166992 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.21004366874694824 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.19907665252685547 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3066375255584717 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2385108470916748 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.14815235137939453 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08776545524597168 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.11116528511047363 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.0761570930480957 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.05987286567687988 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07065725326538086 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.11250948905944824 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.29384660720825195 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.6295702457427979 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 3.9754598140716553 done /tmp/meepuUBjUW/test_run_te-0: 3.98s /tmp/meepuUBjUW/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009691715240478516 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 28.19057071787513 (190.727% change) linmin: converged after 7 iterations. iteration 2: trace = 10.91238426133213 (88.3728% change) linmin: converged after 5 iterations. iteration 3: trace = 10.06024105139971 (8.12624% change) linmin: converged after 4 iterations. iteration 4: trace = 10.00201229636663 (0.580481% change) linmin: converged after 4 iterations. iteration 5: trace = 10.00007845652677 (0.0193364% change) linmin: converged after 2 iterations. iteration 6: trace = 10.00000129987289 (0.000771563% change) linmin: converged after 2 iterations. iteration 7: trace = 10.00000004221536 (1.25766e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.00000000175005 (4.04653e-07% change) Finished solving for bands 2 to 8 after 8 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 elapsed time for k point: 0.051737308502197266 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 5 iterations. iteration 1: trace = 9.880000133291681 (2.3702% change) linmin: converged after 2 iterations. iteration 2: trace = 9.880000004055377 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 elapsed time for k point: 0.02093505859375 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339346 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 elapsed time for k point: 0.013625383377075195 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56717e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 elapsed time for k point: 0.013579607009887695 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43813e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 elapsed time for k point: 0.013633489608764648 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.97997e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 elapsed time for k point: 0.01356816291809082 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 10.88000039707305 (2.97958% change) linmin: converged after 2 iterations. iteration 2: trace = 10.87999995545266 (4.05901e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929 elapsed time for k point: 0.018778324127197266 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 10.72763995153733 (1.77719% change) linmin: converged after 2 iterations. iteration 2: trace = 10.72763986624717 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 elapsed time for k point: 0.02517223358154297 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.85836182238218 (1.70315% change) linmin: converged after 4 iterations. iteration 2: trace = 10.75311149811511 (0.974023% change) linmin: converged after 4 iterations. iteration 3: trace = 10.72171121561062 (0.292438% change) linmin: converged after 4 iterations. iteration 4: trace = 10.72014292833308 (0.0146283% change) linmin: converged after 2 iterations. iteration 5: trace = 10.72002114849349 (0.001136% change) linmin: converged after 2 iterations. iteration 6: trace = 10.72000263415471 (0.000172708% change) linmin: converged after 2 iterations. iteration 7: trace = 10.72000060484828 (1.89301e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.7200001769306 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 elapsed time for k point: 0.06438732147216797 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 11.28000006011032 (3.51788e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.640312, 0.640312, 0.781025, 0.781025, 1.48661, 1.48661, 1.55242, 1.55242 elapsed time for k point: 0.01775836944580078 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 12.00000000012884 (4.02124e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.707107, 0.707107, 0.707107, 0.707107, 1.58114, 1.58114, 1.58114, 1.58114 elapsed time for k point: 0.0054929256439208984 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 11.04529896859918 (2.80917% change) linmin: converged after 2 iterations. iteration 2: trace = 11.04529779144371 (1.06575e-05% change) linmin: converged after 2 iterations. iteration 3: trace = 11.04529660614459 (1.07313e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 11.04529541260548 (1.08059e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 11.04529421072844 (1.08813e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 11.04529300041396 (1.09577e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 11.04529178156084 (1.1035e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 11.04529055406609 (1.11133e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 11.04528931782503 (1.11925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 11.04528807273116 (1.12726e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 11.04528681867615 (1.13538e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 11.04528555554979 (1.14359e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 11.04528428324 (1.1519e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 11.04528300163266 (1.16032e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 11.04528171061168 (1.16884e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 11.04528041005893 (1.17747e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 11.04527909985421 (1.18621e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 11.04527777987509 (1.19506e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 11.04527644999708 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 11.04527511009332 (1.2131e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 11.04527376003476 (1.2223e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 11.04527239968992 (1.23161e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 11.04527102892502 (1.24104e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 11.04526964760372 (1.2506e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 11.04526825558725 (1.26028e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 11.04526685273423 (1.27009e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 11.04526543890069 (1.28004e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 11.04526401393993 (1.29011e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 11.04526257770253 (1.30032e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 11.04526113003624 (1.31067e-05% change) linmin: converged after 2 iterations. iteration 31: trace = 11.04525967078593 (1.32116e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 11.04525819979352 (1.33179e-05% change) linmin: converged after 2 iterations. iteration 33: trace = 11.04525671689793 (1.34256e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 11.04525522193496 (1.35349e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 11.04525371473728 (1.36457e-05% change) linmin: converged after 2 iterations. iteration 36: trace = 11.04525219513427 (1.3758e-05% change) linmin: converged after 2 iterations. iteration 37: trace = 11.04525066295204 (1.38719e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 11.04524911801332 (1.39874e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 11.04524756013732 (1.41045e-05% change) linmin: converged after 2 iterations. iteration 40: trace = 11.04524598913968 (1.42233e-05% change) linmin: converged after 2 iterations. iteration 41: trace = 11.04524440483243 (1.43438e-05% change) linmin: converged after 2 iterations. iteration 42: trace = 11.04524280702389 (1.4466e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 11.04524119551851 (1.459e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 11.0452395701165 (1.47159e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 11.04523793061477 (1.48435e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 11.0452362768057 (1.49731e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 11.04523460847756 (1.51045e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 11.0452329254143 (1.52379e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 11.04523122739539 (1.53733e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 11.04522951419586 (1.55108e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 11.04522778558607 (1.56503e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 11.04522604133166 (1.57919e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 11.04522428119343 (1.59357e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 11.04522250492716 (1.60818e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 11.04522071228361 (1.623e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 11.04521890300823 (1.63806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 11.04521707684125 (1.65336e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 11.04521523351733 (1.66889e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 11.04521337276557 (1.68467e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 11.04521149430935 (1.7007e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 11.04520959786615 (1.71698e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 11.04520768314745 (1.73353e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 11.0452057498586 (1.75034e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 11.04520379769866 (1.76743e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 11.04520182636015 (1.78479e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 11.04519983552916 (1.80244e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 11.04519782488486 (1.82038e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 11.04519579409965 (1.83861e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 11.04519374283882 (1.85715e-05% change) resetting CG direction... large trace change predicted (0.52935%) linmin: converged after 4 iterations. iteration 70: trace = 10.98570566235606 (0.540042% change) linmin: converged after 4 iterations. iteration 71: trace = 10.96854022981744 (0.156375% change) linmin: converged after 4 iterations. iteration 72: trace = 10.96130326736854 (0.066001% change) linmin: converged after 3 iterations. iteration 73: trace = 10.96015412894814 (0.0104841% change) linmin: converged after 2 iterations. iteration 74: trace = 10.96003366816295 (0.00109909% change) linmin: converged after 2 iterations. iteration 75: trace = 10.96000289704679 (0.000280758% change) linmin: converged after 2 iterations. iteration 76: trace = 10.96000031343341 (2.35731e-05% change) linmin: converged after 2 iterations. iteration 77: trace = 10.96000007994673 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 elapsed time for k point: 0.7195205688476562 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.24000001500887 (1.09258e-06% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.424264, 0.761577, 0.761577, 0.989949, 1.33417, 1.33417, 1.47648, 1.47648 elapsed time for k point: 0.013803243637084961 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.840000001756971 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 elapsed time for k point: 0.01661062240600586 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165837 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 elapsed time for k point: 0.013646841049194336 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76508e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 .elapsed time for k point: 0.008832693099975586 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350691 at Vector3<0.5, 0.0, 0.0> to 1.0000000000464644 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884213 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555262 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7071067811901179 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266777 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 1.0000000000010276 at Vector3<0.0, 0.0, 0.0> to 1.5811388300846385 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085848 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164035 at Vector3<0.2, 0.0, 0.0> to 1.581138830089242 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.802775637652445 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 1.0331850051879883 done /tmp/meepuUBjUW/test_run_te_no_geometry-0: 1.03s /tmp/meepuUBjUW/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0060732364654541016 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 37.07995427807216 (187.597% change) linmin: converged after 10 iterations. iteration 2: trace = 15.08208968479109 (84.3443% change) linmin: converged after 5 iterations. iteration 3: trace = 12.99875116715977 (14.8381% change) linmin: converged after 5 iterations. iteration 4: trace = 11.69137614546987 (10.5903% change) linmin: converged after 6 iterations. iteration 5: trace = 10.73396991772583 (8.53861% change) linmin: converged after 6 iterations. iteration 6: trace = 10.10267619616788 (6.05946% change) linmin: converged after 7 iterations. iteration 7: trace = 9.256976067648564 (8.73673% change) linmin: converged after 5 iterations. iteration 8: trace = 8.850990945429702 (4.48405% change) linmin: converged after 5 iterations. iteration 9: trace = 8.599260233942143 (2.88512% change) linmin: converged after 4 iterations. iteration 10: trace = 8.316373997538543 (3.34467% change) linmin: converged after 7 iterations. iteration 11: trace = 8.106938042095054 (2.55047% change) linmin: converged after 5 iterations. iteration 12: trace = 7.905014359807277 (2.52216% change) linmin: converged after 6 iterations. iteration 13: trace = 7.66004402676575 (3.1477% change) linmin: converged after 5 iterations. iteration 14: trace = 7.496221791814361 (2.16178% change) linmin: converged after 6 iterations. iteration 15: trace = 7.355401169824328 (1.89637% change) linmin: converged after 3 iterations. iteration 16: trace = 7.25138037927162 (1.42428% change) linmin: converged after 4 iterations. iteration 17: trace = 7.18127962592026 (0.971418% change) linmin: converged after 4 iterations. iteration 18: trace = 7.129535994668335 (0.72314% change) linmin: converged after 4 iterations. iteration 19: trace = 7.092299379694719 (0.523654% change) linmin: converged after 4 iterations. iteration 20: trace = 7.062880914156482 (0.415657% change) linmin: converged after 4 iterations. iteration 21: trace = 7.04200912493808 (0.295951% change) linmin: converged after 4 iterations. iteration 22: trace = 7.01524989339069 (0.380718% change) linmin: converged after 4 iterations. iteration 23: trace = 6.993639025788045 (0.308531% change) linmin: converged after 8 iterations. iteration 24: trace = 6.975094420246651 (0.265516% change) linmin: converged after 5 iterations. iteration 25: trace = 6.96129066819734 (0.198097% change) linmin: converged after 4 iterations. iteration 26: trace = 6.952090594751325 (0.132248% change) linmin: converged after 4 iterations. iteration 27: trace = 6.944594434093401 (0.107884% change) linmin: converged after 4 iterations. iteration 28: trace = 6.939427076292032 (0.074436% change) linmin: converged after 4 iterations. iteration 29: trace = 6.935335630125506 (0.0589768% change) linmin: converged after 4 iterations. iteration 30: trace = 6.931440743641201 (0.0561758% change) linmin: converged after 3 iterations. iteration 31: trace = 6.927493558556012 (0.0569623% change) linmin: converged after 4 iterations. iteration 32: trace = 6.924575579446426 (0.0421306% change) linmin: converged after 3 iterations. iteration 33: trace = 6.921956091676289 (0.037836% change) linmin: converged after 3 iterations. iteration 34: trace = 6.919902275915221 (0.0296754% change) linmin: converged after 3 iterations. iteration 35: trace = 6.918509942049907 (0.0201227% change) linmin: converged after 3 iterations. iteration 36: trace = 6.917294696916199 (0.0175667% change) linmin: converged after 3 iterations. iteration 37: trace = 6.916553713254161 (0.0107126% change) linmin: converged after 3 iterations. iteration 38: trace = 6.91592195252564 (0.00913446% change) linmin: converged after 3 iterations. iteration 39: trace = 6.915298971377789 (0.00900833% change) linmin: converged after 3 iterations. iteration 40: trace = 6.91474447112174 (0.00801878% change) linmin: converged after 3 iterations. iteration 41: trace = 6.914095943233724 (0.00937935% change) linmin: converged after 3 iterations. iteration 42: trace = 6.913507656487692 (0.00850887% change) linmin: converged after 8 iterations. iteration 43: trace = 6.913069239480913 (0.00634166% change) linmin: converged after 3 iterations. iteration 44: trace = 6.912734881381486 (0.00483673% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912459643390853 (0.00398169% change) linmin: converged after 4 iterations. iteration 46: trace = 6.912146917653812 (0.00452419% change) linmin: converged after 4 iterations. iteration 47: trace = 6.911807830853411 (0.00490579% change) linmin: converged after 4 iterations. iteration 48: trace = 6.911408698906524 (0.00577481% change) linmin: converged after 4 iterations. iteration 49: trace = 6.910951335392645 (0.00661773% change) linmin: converged after 5 iterations. iteration 50: trace = 6.910392908113636 (0.00808065% change) linmin: converged after 3 iterations. iteration 51: trace = 6.909889294482325 (0.00728804% change) linmin: converged after 3 iterations. iteration 52: trace = 6.909402304349431 (0.00704798% change) linmin: converged after 3 iterations. iteration 53: trace = 6.908895116671033 (0.00734081% change) linmin: converged after 4 iterations. iteration 54: trace = 6.908191912501293 (0.0101788% change) linmin: converged after 4 iterations. iteration 55: trace = 6.90710883112386 (0.0156794% change) linmin: converged after 4 iterations. iteration 56: trace = 6.906076217406182 (0.0149511% change) linmin: converged after 4 iterations. iteration 57: trace = 6.904928772548434 (0.0166164% change) linmin: converged after 4 iterations. iteration 58: trace = 6.903780583710775 (0.0166299% change) linmin: converged after 4 iterations. iteration 59: trace = 6.902624626379937 (0.0167452% change) linmin: converged after 4 iterations. iteration 60: trace = 6.900943191340757 (0.0243623% change) linmin: converged after 4 iterations. iteration 61: trace = 6.899190661670234 (0.0253987% change) linmin: converged after 3 iterations. iteration 62: trace = 6.897351294441989 (0.0266642% change) linmin: converged after 4 iterations. iteration 63: trace = 6.895376358666823 (0.0286373% change) linmin: converged after 4 iterations. iteration 64: trace = 6.893892251740695 (0.0215255% change) linmin: converged after 4 iterations. iteration 65: trace = 6.892335263920407 (0.0225876% change) linmin: converged after 7 iterations. iteration 66: trace = 6.890751058062829 (0.0229877% change) linmin: converged after 9 iterations. iteration 67: trace = 6.889435731369418 (0.0190901% change) linmin: converged after 7 iterations. iteration 68: trace = 6.888124775453085 (0.0190303% change) linmin: converged after 4 iterations. iteration 69: trace = 6.886910014225027 (0.0176371% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.884767233747802 (0.0311187% change) linmin: converged after 4 iterations. iteration 71: trace = 6.882633388107598 (0.0309985% change) linmin: converged after 3 iterations. iteration 72: trace = 6.881095113147398 (0.0223526% change) linmin: converged after 3 iterations. iteration 73: trace = 6.879946597465866 (0.0166923% change) linmin: converged after 3 iterations. iteration 74: trace = 6.879316461763979 (0.00915944% change) linmin: converged after 3 iterations. iteration 75: trace = 6.878537080938592 (0.01133% change) linmin: converged after 4 iterations. iteration 76: trace = 6.877914173461376 (0.00905622% change) linmin: converged after 4 iterations. iteration 77: trace = 6.876925949192698 (0.0143691% change) linmin: converged after 4 iterations. iteration 78: trace = 6.875996382391897 (0.0135181% change) linmin: converged after 4 iterations. iteration 79: trace = 6.874606999429915 (0.0202083% change) linmin: converged after 4 iterations. iteration 80: trace = 6.87371438074915 (0.0129851% change) linmin: converged after 4 iterations. iteration 81: trace = 6.872576207635754 (0.0165597% change) linmin: converged after 7 iterations. iteration 82: trace = 6.870977202633987 (0.0232692% change) linmin: converged after 5 iterations. iteration 83: trace = 6.868687858317934 (0.0333246% change) linmin: converged after 4 iterations. iteration 84: trace = 6.867477619854848 (0.0176212% change) linmin: converged after 4 iterations. iteration 85: trace = 6.866565169788672 (0.0132874% change) linmin: converged after 5 iterations. iteration 86: trace = 6.865179368844953 (0.0201839% change) linmin: converged after 4 iterations. iteration 87: trace = 6.862623639477074 (0.0372344% change) linmin: converged after 9 iterations. iteration 88: trace = 6.861124924024436 (0.0218412% change) linmin: converged after 3 iterations. iteration 89: trace = 6.86020411011665 (0.0134216% change) linmin: converged after 4 iterations. iteration 90: trace = 6.858995938766675 (0.0176129% change) linmin: converged after 8 iterations. iteration 91: trace = 6.858118224149518 (0.0127974% change) linmin: converged after 4 iterations. iteration 92: trace = 6.857128033363196 (0.0144393% change) linmin: converged after 4 iterations. iteration 93: trace = 6.856378784887522 (0.0109272% change) linmin: converged after 3 iterations. iteration 94: trace = 6.855983889140656 (0.0057597% change) linmin: converged after 3 iterations. iteration 95: trace = 6.855775833331903 (0.00303471% change) linmin: converged after 3 iterations. iteration 96: trace = 6.855523309343187 (0.00368344% change) linmin: converged after 3 iterations. iteration 97: trace = 6.855274952752101 (0.00362279% change) linmin: converged after 3 iterations. iteration 98: trace = 6.855160805125712 (0.00166512% change) linmin: converged after 4 iterations. iteration 99: trace = 6.855076132484433 (0.00123517% change) linmin: converged after 4 iterations. iteration 100: trace = 6.854953019016813 (0.00179596% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854818094129846 (0.0019683% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854758809724524 (0.000864861% change) linmin: converged after 4 iterations. iteration 103: trace = 6.854718951325869 (0.000581472% change) linmin: converged after 4 iterations. iteration 104: trace = 6.854683880320641 (0.000511634% change) linmin: converged after 4 iterations. iteration 105: trace = 6.854645200256241 (0.000564288% change) linmin: converged after 5 iterations. iteration 106: trace = 6.854612594542651 (0.000475674% change) linmin: converged after 4 iterations. iteration 107: trace = 6.854584016419467 (0.000416919% change) linmin: converged after 4 iterations. iteration 108: trace = 6.854554271133996 (0.000433948% change) linmin: converged after 3 iterations. iteration 109: trace = 6.854529730460362 (0.000358021% change) linmin: converged after 3 iterations. iteration 110: trace = 6.854510325957323 (0.000283091% change) linmin: converged after 3 iterations. iteration 111: trace = 6.85448944087829 (0.000304692% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854472899994951 (0.000241315% change) linmin: converged after 4 iterations. iteration 113: trace = 6.854456195685512 (0.0002437% change) linmin: converged after 6 iterations. iteration 114: trace = 6.854435502377167 (0.000301896% change) linmin: converged after 4 iterations. iteration 115: trace = 6.854411317435466 (0.000352837% change) linmin: converged after 5 iterations. iteration 116: trace = 6.854399035692262 (0.00017918% change) linmin: converged after 4 iterations. iteration 117: trace = 6.85439110503745 (0.000115702% change) large trace change predicted (0.00026524%) linmin: converged after 4 iterations. iteration 118: trace = 6.854372905590728 (0.000265516% change) linmin: converged after 3 iterations. iteration 119: trace = 6.854352891527244 (0.00029199% change) linmin: converged after 4 iterations. iteration 120: trace = 6.85434355890188 (0.000136156% change) linmin: converged after 4 iterations. iteration 121: trace = 6.854338050697774 (8.03608e-05% change) linmin: converged after 4 iterations. iteration 122: trace = 6.854333109605347 (7.20871e-05% change) linmin: converged after 9 iterations. iteration 123: trace = 6.854329720339158 (4.94471e-05% change) linmin: converged after 5 iterations. iteration 124: trace = 6.854326963725112 (4.02171e-05% change) linmin: converged after 11 iterations. iteration 125: trace = 6.854323815940363 (4.59241e-05% change) linmin: converged after 4 iterations. iteration 126: trace = 6.85432065377065 (4.6134e-05% change) linmin: converged after 5 iterations. iteration 127: trace = 6.854318503229075 (3.1375e-05% change) linmin: converged after 3 iterations. iteration 128: trace = 6.85431648171146 (2.94926e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 6.85431496842183 (2.20779e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 6.854314299958991 (9.75244e-06% change) linmin: converged after 4 iterations. iteration 131: trace = 6.854313678981406 (9.05966e-06% change) linmin: converged after 8 iterations. iteration 132: trace = 6.854312884200549 (1.15953e-05% change) linmin: converged after 14 iterations. iteration 133: trace = 6.854311865489204 (1.48623e-05% change) linmin: converged after 9 iterations. iteration 134: trace = 6.8543112985851 (8.27077e-06% change) linmin: converged after 6 iterations. iteration 135: trace = 6.85431082436196 (6.91861e-06% change) linmin: converged after 19 iterations. iteration 136: trace = 6.85431016755307 (9.58242e-06% change) linmin: converged after 4 iterations. iteration 137: trace = 6.854309289832013 (1.28054e-05% change) linmin: converged after 7 iterations. iteration 138: trace = 6.854308657163957 (9.23022e-06% change) linmin: converged after 7 iterations. iteration 139: trace = 6.854307924048323 (1.06957e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 6.854307417903981 (7.38432e-06% change) linmin: converged after 4 iterations. iteration 141: trace = 6.854306969909167 (6.53596e-06% change) linmin: converged after 10 iterations. iteration 142: trace = 6.854306474593885 (7.22634e-06% change) linmin: converged after 5 iterations. iteration 143: trace = 6.854306058607152 (6.06898e-06% change) linmin: converged after 3 iterations. iteration 144: trace = 6.854305757073451 (4.39919e-06% change) linmin: converged after 9 iterations. iteration 145: trace = 6.854305444818706 (4.5556e-06% change) linmin: converged after 4 iterations. iteration 146: trace = 6.854304890203396 (8.09149e-06% change) linmin: converged after 4 iterations. iteration 147: trace = 6.854304491534048 (5.81634e-06% change) linmin: converged after 8 iterations. iteration 148: trace = 6.854304291620394 (2.91661e-06% change) linmin: converged after 4 iterations. iteration 149: trace = 6.854304060869168 (3.36652e-06% change) linmin: converged after 7 iterations. iteration 150: trace = 6.854303700869671 (5.25217e-06% change) linmin: converged after 4 iterations. iteration 151: trace = 6.854303402069196 (4.35931e-06% change) linmin: converged after 7 iterations. iteration 152: trace = 6.854303138078888 (3.85145e-06% change) linmin: converged after 4 iterations. iteration 153: trace = 6.854302877278233 (3.80492e-06% change) linmin: converged after 6 iterations. iteration 154: trace = 6.85430263973824 (3.46556e-06% change) linmin: converged after 8 iterations. iteration 155: trace = 6.854302422483039 (3.16962e-06% change) linmin: converged after 4 iterations. iteration 156: trace = 6.854302260254244 (2.36682e-06% change) linmin: converged after 6 iterations. iteration 157: trace = 6.8543020229519 (3.46209e-06% change) linmin: converged after 8 iterations. iteration 158: trace = 6.854301803061127 (3.20807e-06% change) linmin: converged after 5 iterations. iteration 159: trace = 6.85430155803313 (3.57481e-06% change) linmin: converged after 4 iterations. iteration 160: trace = 6.85430140416215 (2.24488e-06% change) linmin: converged after 5 iterations. iteration 161: trace = 6.854301308348163 (1.39787e-06% change) linmin: converged after 7 iterations. iteration 162: trace = 6.854301245799444 (9.12547e-07% change) linmin: converged after 5 iterations. iteration 163: trace = 6.854301157825049 (1.28349e-06% change) linmin: converged after 5 iterations. iteration 164: trace = 6.854301069005924 (1.29582e-06% change) linmin: converged after 5 iterations. iteration 165: trace = 6.854301009952136 (8.61558e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 6.854300969705365 (5.87175e-07% change) linmin: converged after 4 iterations. iteration 167: trace = 6.854300948076833 (3.15547e-07% change) linmin: converged after 13 iterations. iteration 168: trace = 6.854300932065348 (2.33598e-07% change) linmin: converged after 4 iterations. iteration 169: trace = 6.854300911070707 (3.06299e-07% change) linmin: converged after 4 iterations. iteration 170: trace = 6.85430089188397 (2.79923e-07% change) linmin: converged after 10 iterations. iteration 171: trace = 6.854300881295973 (1.54472e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 6.85430087306035 (1.20153e-07% change) linmin: converged after 11 iterations. iteration 173: trace = 6.854300860996102 (1.7601e-07% change) linmin: converged after 4 iterations. iteration 174: trace = 6.854300852081534 (1.30058e-07% change) linmin: converged after 4 iterations. iteration 175: trace = 6.85430084275424 (1.36079e-07% change) linmin: converged after 6 iterations. iteration 176: trace = 6.854300830272249 (1.82105e-07% change) linmin: converged after 5 iterations. iteration 177: trace = 6.854300822603414 (1.11884e-07% change) linmin: converged after 4 iterations. iteration 178: trace = 6.854300817983078 (6.74078e-08% change) linmin: converged after 4 iterations. iteration 179: trace = 6.854300813562575 (6.44924e-08% change) linmin: converged after 27 iterations. iteration 180: trace = 6.85430080825131 (7.74881e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 6.854300801798455 (9.41431e-08% change) linmin: converged after 5 iterations. iteration 182: trace = 6.854300795434934 (9.28398e-08% change) linmin: converged after 8 iterations. iteration 183: trace = 6.854300791298354 (6.03501e-08% change) linmin: converged after 6 iterations. iteration 184: trace = 6.854300788124082 (4.63107e-08% change) linmin: converged after 4 iterations. iteration 185: trace = 6.854300785155017 (4.33168e-08% change) linmin: converged after 5 iterations. iteration 186: trace = 6.854300781057044 (5.97869e-08% change) linmin: converged after 4 iterations. iteration 187: trace = 6.854300778450468 (3.80283e-08% change) linmin: converged after 4 iterations. iteration 188: trace = 6.854300776974714 (2.15303e-08% change) linmin: converged after 7 iterations. iteration 189: trace = 6.854300775732911 (1.81171e-08% change) linmin: converged after 21 iterations. iteration 190: trace = 6.854300774376568 (1.97882e-08% change) linmin: converged after 4 iterations. iteration 191: trace = 6.854300773192704 (1.72719e-08% change) linmin: converged after 5 iterations. iteration 192: trace = 6.854300772718631 (6.91643e-09% change) linmin: converged after 4 iterations. iteration 193: trace = 6.854300772373036 (5.04201e-09% change) linmin: converged after 4 iterations. iteration 194: trace = 6.854300771833355 (7.87361e-09% change) linmin: converged after 21 iterations. iteration 195: trace = 6.854300771437645 (5.77317e-09% change) linmin: converged after 15 iterations. iteration 196: trace = 6.854300771260495 (2.58451e-09% change) linmin: converged after 4 iterations. iteration 197: trace = 6.854300771187706 (1.06194e-09% change) linmin: converged after 12 iterations. iteration 198: trace = 6.854300771138262 (7.21357e-10% change) linmin: converged after 4 iterations. iteration 199: trace = 6.854300771070114 (9.94239e-10% change) linmin: converged after 9 iterations. iteration 200: trace = 6.85430077100915 (8.89422e-10% change) linmin: converged after 3 iterations. iteration 201: trace = 6.854300770986218 (3.34562e-10% change) linmin: converged after 2 iterations. iteration 202: trace = 6.854300770974715 (1.67819e-10% change) linmin: converged after 3 iterations. iteration 203: trace = 6.854300770964711 (1.45959e-10% change) linmin: converged after 5 iterations. iteration 204: trace = 6.85430077095844 (9.14962e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 2.9054253101348877 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 7.007537457446258 (11.2703% change) linmin: converged after 5 iterations. iteration 2: trace = 7.003247355935917 (0.06124% change) large trace change predicted (0.442958%) linmin: converged after 5 iterations. iteration 3: trace = 6.97513932471041 (0.402164% change) linmin: converged after 5 iterations. iteration 4: trace = 6.971270251122395 (0.0554849% change) large trace change predicted (0.226623%) linmin: converged after 4 iterations. iteration 5: trace = 6.95626746859895 (0.215441% change) linmin: converged after 5 iterations. iteration 6: trace = 6.933392870171838 (0.329376% change) linmin: converged after 5 iterations. iteration 7: trace = 6.931992239405091 (0.0202033% change) large trace change predicted (0.205291%) linmin: converged after 4 iterations. iteration 8: trace = 6.917331484602 (0.211718% change) linmin: converged after 9 iterations. iteration 9: trace = 6.902037331758033 (0.221344% change) linmin: converged after 4 iterations. iteration 10: trace = 6.900816451921457 (0.0176903% change) linmin: converged after 5 iterations. iteration 11: trace = 6.89872058529172 (0.0303759% change) large trace change predicted (0.158392%) linmin: converged after 6 iterations. iteration 12: trace = 6.88813042232098 (0.153627% change) linmin: converged after 3 iterations. iteration 13: trace = 6.885392679745547 (0.0397537% change) linmin: converged after 11 iterations. iteration 14: trace = 6.881023949808716 (0.0634694% change) large trace change predicted (0.551569%) linmin: converged after 6 iterations. iteration 15: trace = 6.85122300444239 (0.434029% change) linmin: converged after 5 iterations. iteration 16: trace = 6.848570426617911 (0.0387243% change) linmin: converged after 3 iterations. iteration 17: trace = 6.846532554158202 (0.0297606% change) large trace change predicted (0.118504%) linmin: converged after 6 iterations. iteration 18: trace = 6.838958717757984 (0.110684% change) linmin: converged after 3 iterations. iteration 19: trace = 6.838261210950048 (0.0101995% change) large trace change predicted (0.0363602%) linmin: converged after 3 iterations. iteration 20: trace = 6.835756740072389 (0.0366311% change) linmin: converged after 4 iterations. iteration 21: trace = 6.831548373033576 (0.061583% change) linmin: converged after 3 iterations. iteration 22: trace = 6.831144949422955 (0.00590548% change) large trace change predicted (0.0574298%) linmin: converged after 4 iterations. iteration 23: trace = 6.827114355778042 (0.0590206% change) linmin: converged after 4 iterations. iteration 24: trace = 6.823314259527984 (0.0556773% change) linmin: converged after 4 iterations. iteration 25: trace = 6.822904154140413 (0.00601054% change) large trace change predicted (0.0472521%) linmin: converged after 4 iterations. iteration 26: trace = 6.819507863331362 (0.0497902% change) linmin: converged after 4 iterations. iteration 27: trace = 6.818042501412231 (0.0214901% change) linmin: converged after 4 iterations. iteration 28: trace = 6.817386915346895 (0.00961592% change) large trace change predicted (0.0746117%) linmin: converged after 10 iterations. iteration 29: trace = 6.811801994343884 (0.0819553% change) linmin: converged after 4 iterations. iteration 30: trace = 6.811011821202275 (0.0116007% change) linmin: converged after 3 iterations. iteration 31: trace = 6.809751574221748 (0.0185048% change) large trace change predicted (0.0614976%) linmin: converged after 4 iterations. iteration 32: trace = 6.805453233659726 (0.0631403% change) linmin: converged after 4 iterations. iteration 33: trace = 6.805025660305189 (0.006283% change) large trace change predicted (0.0298744%) linmin: converged after 3 iterations. iteration 34: trace = 6.80296458043872 (0.0302922% change) linmin: converged after 3 iterations. iteration 35: trace = 6.800346857992223 (0.0384865% change) linmin: converged after 3 iterations. iteration 36: trace = 6.800157595674935 (0.00278317% change) large trace change predicted (0.0152532%) linmin: converged after 4 iterations. iteration 37: trace = 6.799129608070678 (0.0151183% change) linmin: converged after 4 iterations. iteration 38: trace = 6.797753758086779 (0.0202377% change) linmin: converged after 3 iterations. iteration 39: trace = 6.797626620366234 (0.00187031% change) large trace change predicted (0.0096437%) linmin: converged after 4 iterations. iteration 40: trace = 6.796985860133845 (0.00942668% change) linmin: converged after 3 iterations. iteration 41: trace = 6.796346977919242 (0.00939993% change) linmin: converged after 3 iterations. iteration 42: trace = 6.796284310238764 (0.000922083% change) large trace change predicted (0.00629687%) linmin: converged after 4 iterations. iteration 43: trace = 6.79586753547404 (0.00613258% change) linmin: converged after 4 iterations. iteration 44: trace = 6.795406399081847 (0.00678577% change) linmin: converged after 3 iterations. iteration 45: trace = 6.795367590543146 (0.000571101% change) large trace change predicted (0.00284231%) linmin: converged after 4 iterations. iteration 46: trace = 6.795177122079922 (0.00280296% change) linmin: converged after 3 iterations. iteration 47: trace = 6.794940920007555 (0.00347609% change) linmin: converged after 3 iterations. iteration 48: trace = 6.794907137572094 (0.000497172% change) large trace change predicted (0.00433785%) linmin: converged after 4 iterations. iteration 49: trace = 6.794615934362422 (0.0042857% change) linmin: converged after 3 iterations. iteration 50: trace = 6.794255735051849 (0.00530139% change) linmin: converged after 5 iterations. iteration 51: trace = 6.794217401763936 (0.000564203% change) large trace change predicted (0.00335306%) linmin: converged after 4 iterations. iteration 52: trace = 6.793991213313937 (0.00332919% change) linmin: converged after 4 iterations. iteration 53: trace = 6.793728117339382 (0.00387256% change) linmin: converged after 4 iterations. iteration 54: trace = 6.793694259081174 (0.000498376% change) large trace change predicted (0.00365899%) linmin: converged after 4 iterations. iteration 55: trace = 6.793446263052462 (0.00365045% change) linmin: converged after 4 iterations. iteration 56: trace = 6.793196853596192 (0.00367139% change) linmin: converged after 3 iterations. iteration 57: trace = 6.793167323895753 (0.000434696% change) large trace change predicted (0.00302394%) linmin: converged after 10 iterations. iteration 58: trace = 6.792962143072923 (0.00302045% change) linmin: converged after 4 iterations. iteration 59: trace = 6.792775384990048 (0.00274933% change) linmin: converged after 3 iterations. iteration 60: trace = 6.792756987326691 (0.000270842% change) large trace change predicted (0.00165713%) linmin: converged after 4 iterations. iteration 61: trace = 6.792644650610223 (0.00165379% change) linmin: converged after 3 iterations. iteration 62: trace = 6.792550297390947 (0.00138906% change) linmin: converged after 4 iterations. iteration 63: trace = 6.792537664820014 (0.000185977% change) large trace change predicted (0.00160153%) linmin: converged after 4 iterations. iteration 64: trace = 6.792429262685819 (0.00159591% change) linmin: converged after 3 iterations. iteration 65: trace = 6.792340578232512 (0.00130565% change) linmin: converged after 4 iterations. iteration 66: trace = 6.792331552017195 (0.000132888% change) large trace change predicted (0.000841299%) linmin: converged after 4 iterations. iteration 67: trace = 6.792274567195951 (0.000838962% change) linmin: converged after 3 iterations. iteration 68: trace = 6.792237439770127 (0.000546614% change) linmin: converged after 4 iterations. iteration 69: trace = 6.79223260978665 (7.11104e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.792228297655388 (6.34862e-05% change) large trace change predicted (0.00110166%) linmin: converged after 4 iterations. iteration 71: trace = 6.792153695267506 (0.00109836% change) linmin: converged after 6 iterations. iteration 72: trace = 6.792149581450575 (6.05672e-05% change) large trace change predicted (0.000708831%) linmin: converged after 4 iterations. iteration 73: trace = 6.792101528707402 (0.000707477% change) linmin: converged after 4 iterations. iteration 74: trace = 6.792099860237837 (2.45649e-05% change) large trace change predicted (0.000618981%) linmin: converged after 4 iterations. iteration 75: trace = 6.79205787990562 (0.000618078% change) linmin: converged after 4 iterations. iteration 76: trace = 6.792056168827534 (2.51923e-05% change) large trace change predicted (0.000403212%) linmin: converged after 3 iterations. iteration 77: trace = 6.792028766644234 (0.000403445% change) linmin: converged after 3 iterations. iteration 78: trace = 6.792026998181269 (2.60373e-05% change) large trace change predicted (0.000260644%) linmin: converged after 3 iterations. iteration 79: trace = 6.792009274547162 (0.000260948% change) linmin: converged after 3 iterations. iteration 80: trace = 6.79200845159906 (1.21164e-05% change) large trace change predicted (0.000159635%) linmin: converged after 3 iterations. iteration 81: trace = 6.791997598022605 (0.000159799% change) linmin: converged after 3 iterations. iteration 82: trace = 6.791996904947478 (1.02043e-05% change) large trace change predicted (8.62325e-05%) linmin: converged after 3 iterations. iteration 83: trace = 6.791991045301935 (8.62728e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 6.791990706155061 (4.99334e-06% change) large trace change predicted (6.48367e-05%) linmin: converged after 4 iterations. iteration 85: trace = 6.791986302260665 (6.48395e-05% change) linmin: converged after 5 iterations. iteration 86: trace = 6.791986004162207 (4.38897e-06% change) large trace change predicted (5.18509e-05%) linmin: converged after 4 iterations. iteration 87: trace = 6.791982481881336 (5.18594e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.79198179276332 (1.01461e-05% change) large trace change predicted (5.89483e-05%) linmin: converged after 4 iterations. iteration 89: trace = 6.791977794316667 (5.88701e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 6.791976820443474 (1.43386e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 6.791975615140822 (1.7746e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 6.791973900423805 (2.52462e-05% change) linmin: converged after 7 iterations. iteration 93: trace = 6.791973335488525 (8.31769e-06% change) large trace change predicted (1.69316e-05%) linmin: converged after 12 iterations. iteration 94: trace = 6.791972185590867 (1.69302e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 6.79197155135575 (9.33801e-06% change) linmin: converged after 5 iterations. iteration 96: trace = 6.791970944542422 (8.93427e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.791970211866635 (1.07874e-05% change) linmin: converged after 3 iterations. iteration 98: trace = 6.791969818862496 (5.78631e-06% change) linmin: converged after 3 iterations. iteration 99: trace = 6.791969262211649 (8.19572e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 6.791968708602202 (8.15094e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 6.791968653064911 (8.17691e-07% change) large trace change predicted (5.37706e-06%) linmin: converged after 2 iterations. iteration 102: trace = 6.791968287849869 (5.37716e-06% change) linmin: converged after 6 iterations. iteration 103: trace = 6.791968277463236 (1.52925e-07% change) large trace change predicted (2.60221e-06%) linmin: converged after 2 iterations. iteration 104: trace = 6.791968100721677 (2.60221e-06% change) linmin: converged after 6 iterations. iteration 105: trace = 6.791968092878765 (1.15473e-07% change) large trace change predicted (2.0587e-06%) linmin: converged after 3 iterations. iteration 106: trace = 6.791967953051572 (2.05871e-06% change) linmin: converged after 3 iterations. iteration 107: trace = 6.791967948024034 (7.40218e-08% change) large trace change predicted (1.46291e-06%) linmin: converged after 8 iterations. iteration 108: trace = 6.791967848660353 (1.46296e-06% change) linmin: converged after 4 iterations. iteration 109: trace = 6.791967845150555 (5.16757e-08% change) large trace change predicted (1.32858e-06%) linmin: converged after 3 iterations. iteration 110: trace = 6.791967754913359 (1.32859e-06% change) linmin: converged after 21 iterations. iteration 111: trace = 6.791967748472299 (9.48335e-08% change) large trace change predicted (1.1718e-06%) linmin: converged after 5 iterations. iteration 112: trace = 6.791967668877026 (1.1719e-06% change) linmin: converged after 5 iterations. iteration 113: trace = 6.79196766554222 (4.90993e-08% change) large trace change predicted (7.81653e-07%) linmin: converged after 2 iterations. iteration 114: trace = 6.791967612450451 (7.81685e-07% change) linmin: converged after 24 iterations. iteration 115: trace = 6.791967610959208 (2.1956e-08% change) large trace change predicted (2.94444e-07%) linmin: converged after 3 iterations. iteration 116: trace = 6.791967590960216 (2.94451e-07% change) linmin: converged after 8 iterations. iteration 117: trace = 6.791967587005427 (5.82274e-08% change) large trace change predicted (2.45919e-07%) linmin: converged after 30 iterations. iteration 118: trace = 6.791967570302307 (2.45925e-07% change) linmin: converged after 4 iterations. iteration 119: trace = 6.79196756206063 (1.21344e-07% change) linmin: converged after 5 iterations. iteration 120: trace = 6.791967546140414 (2.34398e-07% change) linmin: converged after 18 iterations. iteration 121: trace = 6.791967543171825 (4.37073e-08% change) large trace change predicted (2.56507e-07%) linmin: converged after 16 iterations. iteration 122: trace = 6.791967525749222 (2.56518e-07% change) linmin: converged after 8 iterations. iteration 123: trace = 6.79196752451914 (1.81108e-08% change) large trace change predicted (6.60925e-08%) linmin: converged after 15 iterations. iteration 124: trace = 6.79196752003006 (6.6094e-08% change) linmin: converged after 5 iterations. iteration 125: trace = 6.791967517036195 (4.40795e-08% change) linmin: converged after 19 iterations. iteration 126: trace = 6.791967516053871 (1.4463e-08% change) large trace change predicted (4.7355e-08%) linmin: converged after 7 iterations. iteration 127: trace = 6.79196751283756 (4.73546e-08% change) linmin: converged after 6 iterations. iteration 128: trace = 6.791967512591317 (3.6255e-09% change) large trace change predicted (4.03429e-08%) linmin: converged after 26 iterations. iteration 129: trace = 6.791967509851213 (4.03433e-08% change) linmin: converged after 27 iterations. iteration 130: trace = 6.791967509713659 (2.02524e-09% change) large trace change predicted (5.30423e-08%) linmin: converged after 9 iterations. iteration 131: trace = 6.791967506110998 (5.3043e-08% change) linmin: converged after 4 iterations. iteration 132: trace = 6.791967505801535 (4.5563e-09% change) large trace change predicted (5.32642e-08%) linmin: converged after 7 iterations. iteration 133: trace = 6.791967502183798 (5.32649e-08% change) linmin: converged after 6 iterations. iteration 134: trace = 6.79196750191726 (3.92431e-09% change) large trace change predicted (2.31904e-08%) linmin: converged after 7 iterations. iteration 135: trace = 6.79196750034217 (2.31905e-08% change) linmin: converged after 6 iterations. iteration 136: trace = 6.791967500260601 (1.20097e-09% change) large trace change predicted (1.46637e-08%) linmin: converged after 3 iterations. iteration 137: trace = 6.791967499264651 (1.46636e-08% change) linmin: converged after 5 iterations. iteration 138: trace = 6.791967499226701 (5.58736e-10% change) large trace change predicted (1.25371e-08%) linmin: converged after 4 iterations. iteration 139: trace = 6.791967498375169 (1.25373e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 6.791967498292051 (1.22378e-09% change) large trace change predicted (2.54594e-09%) linmin: converged after 6 iterations. iteration 141: trace = 6.791967498119134 (2.5459e-09% change) linmin: converged after 26 iterations. iteration 142: trace = 6.791967497955175 (2.41401e-09% change) linmin: converged after 27 iterations. iteration 143: trace = 6.791967497875718 (1.16987e-09% change) large trace change predicted (3.67353e-09%) linmin: converged after 7 iterations. iteration 144: trace = 6.791967497626207 (3.67363e-09% change) linmin: converged after 6 iterations. iteration 145: trace = 6.791967497592159 (5.0129e-10% change) large trace change predicted (6.23283e-09%) linmin: converged after 20 iterations. iteration 146: trace = 6.791967497168824 (6.23288e-09% change) linmin: converged after 4 iterations. iteration 147: trace = 6.791967497130071 (5.70571e-10% change) large trace change predicted (4.56836e-09%) linmin: converged after 19 iterations. iteration 148: trace = 6.791967496819786 (4.56841e-09% change) linmin: converged after 6 iterations. iteration 149: trace = 6.791967496790313 (4.33944e-10% change) large trace change predicted (2.16893e-09%) linmin: converged after 22 iterations. iteration 150: trace = 6.791967496643008 (2.1688e-09% change) linmin: converged after 4 iterations. iteration 151: trace = 6.79196749651947 (1.81889e-09% change) linmin: converged after 6 iterations. iteration 152: trace = 6.791967496513665 (8.54575e-11% change) Finished solving for bands 1 to 8 after 152 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 elapsed time for k point: 2.606924533843994 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.779233704149505 (0.029341% change) large trace change predicted (0.119594%) linmin: converged after 4 iterations. iteration 2: trace = 6.77122872818564 (0.118151% change) linmin: converged after 4 iterations. iteration 3: trace = 6.76788727287084 (0.04936% change) linmin: converged after 4 iterations. iteration 4: trace = 6.76677160790444 (0.016486% change) linmin: converged after 4 iterations. iteration 5: trace = 6.76553524136044 (0.0182728% change) linmin: converged after 4 iterations. iteration 6: trace = 6.765292028812663 (0.00359494% change) large trace change predicted (0.0160508%) linmin: converged after 4 iterations. iteration 7: trace = 6.764215362151291 (0.0159158% change) linmin: converged after 4 iterations. iteration 8: trace = 6.7640744078539 (0.00208385% change) large trace change predicted (0.00881556%) linmin: converged after 3 iterations. iteration 9: trace = 6.763478317595627 (0.00881298% change) linmin: converged after 4 iterations. iteration 10: trace = 6.763112350468273 (0.00541108% change) linmin: converged after 3 iterations. iteration 11: trace = 6.762840550271752 (0.00401894% change) linmin: converged after 3 iterations. iteration 12: trace = 6.762589674807687 (0.00370969% change) linmin: converged after 3 iterations. iteration 13: trace = 6.762500230376306 (0.00132264% change) large trace change predicted (0.00532386%) linmin: converged after 3 iterations. iteration 14: trace = 6.762138330078653 (0.00535172% change) linmin: converged after 3 iterations. iteration 15: trace = 6.762074172755888 (0.000948777% change) large trace change predicted (0.00413001%) linmin: converged after 3 iterations. iteration 16: trace = 6.761792961235461 (0.00415874% change) linmin: converged after 3 iterations. iteration 17: trace = 6.761637719094955 (0.0022959% change) linmin: converged after 3 iterations. iteration 18: trace = 6.761443529734488 (0.00287197% change) linmin: converged after 3 iterations. iteration 19: trace = 6.76135434542317 (0.00131902% change) linmin: converged after 5 iterations. iteration 20: trace = 6.761311766874297 (0.000629736% change) linmin: converged after 3 iterations. iteration 21: trace = 6.761229363792483 (0.00121875% change) linmin: converged after 5 iterations. iteration 22: trace = 6.761215170610098 (0.00020992% change) large trace change predicted (0.00157727%) linmin: converged after 4 iterations. iteration 23: trace = 6.761108563625406 (0.00157676% change) linmin: converged after 5 iterations. iteration 24: trace = 6.761092201397894 (0.000242005% change) large trace change predicted (0.00138267%) linmin: converged after 4 iterations. iteration 25: trace = 6.760998715872192 (0.00138271% change) linmin: converged after 4 iterations. iteration 26: trace = 6.760981371877431 (0.00025653% change) large trace change predicted (0.000658079%) linmin: converged after 3 iterations. iteration 27: trace = 6.760936824920137 (0.000658885% change) linmin: converged after 4 iterations. iteration 28: trace = 6.760923447438236 (0.000197865% change) linmin: converged after 3 iterations. iteration 29: trace = 6.760910147592869 (0.000196717% change) linmin: converged after 3 iterations. iteration 30: trace = 6.760890311372713 (0.000293396% change) linmin: converged after 3 iterations. iteration 31: trace = 6.760887282168232 (4.48048e-05% change) large trace change predicted (0.000191206%) linmin: converged after 3 iterations. iteration 32: trace = 6.760874346615541 (0.000191329% change) linmin: converged after 14 iterations. iteration 33: trace = 6.760867978531046 (9.41903e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 6.760856625784806 (0.000167919% change) linmin: converged after 3 iterations. iteration 35: trace = 6.760852346347988 (6.32973e-05% change) large trace change predicted (0.00015525%) linmin: converged after 10 iterations. iteration 36: trace = 6.760841857753364 (0.000155137% change) linmin: converged after 3 iterations. iteration 37: trace = 6.76083824537612 (5.34309e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 6.760832929740303 (7.86239e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.760829446462945 (5.15214e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 6.760828407253998 (1.5371e-05% change) large trace change predicted (5.882e-05%) linmin: converged after 4 iterations. iteration 41: trace = 6.760824431226565 (5.88098e-05% change) linmin: converged after 4 iterations. iteration 42: trace = 6.760823706351393 (1.07217e-05% change) large trace change predicted (5.521e-05%) linmin: converged after 5 iterations. iteration 43: trace = 6.760819975268813 (5.51868e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.760818933583168 (1.54077e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 6.760817397451483 (2.27211e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 6.760816506038232 (1.3185e-05% change) linmin: converged after 4 iterations. iteration 47: trace = 6.760816128060983 (5.5907e-06% change) large trace change predicted (1.42013e-05%) linmin: converged after 3 iterations. iteration 48: trace = 6.76081516794176 (1.42012e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.760815037114783 (1.93508e-06% change) large trace change predicted (1.2274e-05%) linmin: converged after 3 iterations. iteration 50: trace = 6.760814207181001 (1.22756e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.760814122635201 (1.25053e-06% change) large trace change predicted (7.52087e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.760813614112545 (7.52162e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 6.760813438657451 (2.59518e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.760813112228708 (4.82825e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.760812964855113 (2.17982e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.760812805891664 (2.35125e-06% change) linmin: converged after 2 iterations. iteration 57: trace = 6.760812667531352 (2.0465e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.76081262757927 (5.90936e-07% change) large trace change predicted (1.7818e-06%) linmin: converged after 31 iterations. iteration 59: trace = 6.760812507117609 (1.78176e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.760812489141085 (2.65893e-07% change) large trace change predicted (1.67945e-06%) linmin: converged after 3 iterations. iteration 61: trace = 6.760812375599103 (1.67941e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.760812364017938 (1.71298e-07% change) large trace change predicted (7.34453e-07%) linmin: converged after 3 iterations. iteration 63: trace = 6.760812314362155 (7.34465e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.760812300203789 (2.09418e-07% change) large trace change predicted (4.297e-07%) linmin: converged after 4 iterations. iteration 65: trace = 6.760812271152631 (4.29699e-07% change) linmin: converged after 2 iterations. iteration 66: trace = 6.760812246336019 (3.67066e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.76081223489381 (1.69243e-07% change) large trace change predicted (3.52972e-07%) linmin: converged after 2 iterations. iteration 68: trace = 6.760812211029217 (3.52984e-07% change) linmin: converged after 3 iterations. iteration 69: trace = 6.760812207709524 (4.9102e-08% change) resetting CG direction... linmin: converged after 26 iterations. iteration 70: trace = 6.760812205115937 (3.83621e-08% change) large trace change predicted (1.10414e-07%) linmin: converged after 13 iterations. iteration 71: trace = 6.76081219765096 (1.10415e-07% change) linmin: converged after 5 iterations. iteration 72: trace = 6.760812193099664 (6.73188e-08% change) linmin: converged after 10 iterations. iteration 73: trace = 6.760812189419833 (5.44288e-08% change) linmin: converged after 19 iterations. iteration 74: trace = 6.760812183684703 (8.4829e-08% change) linmin: converged after 19 iterations. iteration 75: trace = 6.760812181798141 (2.79044e-08% change) large trace change predicted (7.9846e-08%) linmin: converged after 3 iterations. iteration 76: trace = 6.760812176399958 (7.98452e-08% change) linmin: converged after 22 iterations. iteration 77: trace = 6.760812174751578 (2.43814e-08% change) large trace change predicted (1.12482e-07%) linmin: converged after 7 iterations. iteration 78: trace = 6.760812167146861 (1.12482e-07% change) linmin: converged after 6 iterations. iteration 79: trace = 6.760812165135612 (2.97486e-08% change) large trace change predicted (6.68494e-08%) linmin: converged after 4 iterations. iteration 80: trace = 6.760812160616077 (6.6849e-08% change) linmin: converged after 7 iterations. iteration 81: trace = 6.760812157149175 (5.12794e-08% change) linmin: converged after 12 iterations. iteration 82: trace = 6.760812155153886 (2.95126e-08% change) linmin: converged after 4 iterations. iteration 83: trace = 6.760812151447763 (5.48177e-08% change) linmin: converged after 4 iterations. iteration 84: trace = 6.760812149596605 (2.73807e-08% change) linmin: converged after 32 iterations. iteration 85: trace = 6.760812149144228 (6.69116e-09% change) large trace change predicted (1.60166e-08%) linmin: converged after 4 iterations. iteration 86: trace = 6.76081214806138 (1.60165e-08% change) linmin: converged after 6 iterations. iteration 87: trace = 6.760812147844664 (3.20547e-09% change) large trace change predicted (1.30127e-08%) linmin: converged after 8 iterations. iteration 88: trace = 6.76081214696491 (1.30125e-08% change) linmin: converged after 7 iterations. iteration 89: trace = 6.760812146818285 (2.16875e-09% change) large trace change predicted (1.02578e-08%) linmin: converged after 4 iterations. iteration 90: trace = 6.760812146124769 (1.02579e-08% change) linmin: converged after 14 iterations. iteration 91: trace = 6.760812145778652 (5.11946e-09% change) linmin: converged after 6 iterations. iteration 92: trace = 6.760812145286503 (7.27943e-09% change) linmin: converged after 18 iterations. iteration 93: trace = 6.760812144857756 (6.34166e-09% change) linmin: converged after 5 iterations. iteration 94: trace = 6.760812144781973 (1.12091e-09% change) large trace change predicted (3.99531e-09%) linmin: converged after 4 iterations. iteration 95: trace = 6.76081214451185 (3.99542e-09% change) linmin: converged after 20 iterations. iteration 96: trace = 6.760812144391321 (1.78276e-09% change) linmin: converged after 15 iterations. iteration 97: trace = 6.760812144325781 (9.69404e-10% change) large trace change predicted (2.03564e-09%) linmin: converged after 21 iterations. iteration 98: trace = 6.760812144188145 (2.03579e-09% change) linmin: converged after 9 iterations. iteration 99: trace = 6.760812144171469 (2.46663e-10% change) large trace change predicted (1.70611e-09%) linmin: converged after 6 iterations. iteration 100: trace = 6.76081214405612 (1.70615e-09% change) linmin: converged after 3 iterations. iteration 101: trace = 6.760812144045055 (1.6365e-10% change) large trace change predicted (1.05652e-09%) linmin: converged after 24 iterations. iteration 102: trace = 6.76081214397362 (1.05661e-09% change) linmin: converged after 15 iterations. iteration 103: trace = 6.760812143935601 (5.62349e-10% change) linmin: converged after 4 iterations. iteration 104: trace = 6.760812143927473 (1.20218e-10% change) large trace change predicted (6.25294e-10%) linmin: converged after 7 iterations. iteration 105: trace = 6.760812143885199 (6.25276e-10% change) linmin: converged after 4 iterations. iteration 106: trace = 6.760812143880038 (7.634e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 elapsed time for k point: 0.6805367469787598 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.812819628661698 (0.0683397% change) linmin: converged after 3 iterations. iteration 2: trace = 6.809521839523517 (0.0484174% change) linmin: converged after 4 iterations. iteration 3: trace = 6.806878732572187 (0.0388224% change) linmin: converged after 3 iterations. iteration 4: trace = 6.806531561470045 (0.00510043% change) linmin: converged after 4 iterations. iteration 5: trace = 6.805858812206997 (0.00988437% change) linmin: converged after 3 iterations. iteration 6: trace = 6.805278685201517 (0.0085243% change) linmin: converged after 4 iterations. iteration 7: trace = 6.805018736097988 (0.00381989% change) large trace change predicted (0.00764423%) linmin: converged after 4 iterations. iteration 8: trace = 6.804499759913973 (0.00762666% change) linmin: converged after 4 iterations. iteration 9: trace = 6.804166052150458 (0.00490434% change) linmin: converged after 3 iterations. iteration 10: trace = 6.803799208029116 (0.00539161% change) linmin: converged after 3 iterations. iteration 11: trace = 6.803510143991208 (0.00424866% change) linmin: converged after 4 iterations. iteration 12: trace = 6.803404288453464 (0.00155591% change) large trace change predicted (0.00417121%) linmin: converged after 3 iterations. iteration 13: trace = 6.803119569090784 (0.00418504% change) linmin: converged after 3 iterations. iteration 14: trace = 6.802867680929271 (0.00370261% change) linmin: converged after 3 iterations. iteration 15: trace = 6.802805669214712 (0.000911557% change) large trace change predicted (0.00372648%) linmin: converged after 3 iterations. iteration 16: trace = 6.802551006257156 (0.00374357% change) linmin: converged after 3 iterations. iteration 17: trace = 6.802508919730908 (0.000618689% change) large trace change predicted (0.00153183%) linmin: converged after 3 iterations. iteration 18: trace = 6.802404656420902 (0.00153273% change) linmin: converged after 3 iterations. iteration 19: trace = 6.802277520532822 (0.001869% change) linmin: converged after 5 iterations. iteration 20: trace = 6.802247414155069 (0.000442594% change) large trace change predicted (0.001287%) linmin: converged after 3 iterations. iteration 21: trace = 6.802159763861424 (0.00128856% change) linmin: converged after 3 iterations. iteration 22: trace = 6.80209711638325 (0.000920998% change) linmin: converged after 3 iterations. iteration 23: trace = 6.802077237360788 (0.000292249% change) large trace change predicted (0.000723376%) linmin: converged after 4 iterations. iteration 24: trace = 6.802028031576383 (0.000723396% change) linmin: converged after 6 iterations. iteration 25: trace = 6.802006288669485 (0.000319654% change) linmin: converged after 3 iterations. iteration 26: trace = 6.801991481607076 (0.000217687% change) linmin: converged after 5 iterations. iteration 27: trace = 6.801969367927593 (0.000325106% change) linmin: converged after 3 iterations. iteration 28: trace = 6.801957903045565 (0.000168553% change) linmin: converged after 3 iterations. iteration 29: trace = 6.801951813831908 (8.95215e-05% change) large trace change predicted (0.000209749%) linmin: converged after 3 iterations. iteration 30: trace = 6.801937548635867 (0.000209722% change) linmin: converged after 5 iterations. iteration 31: trace = 6.801934525942378 (4.44387e-05% change) large trace change predicted (0.000222054%) linmin: converged after 5 iterations. iteration 32: trace = 6.801919425329486 (0.000222005% change) linmin: converged after 4 iterations. iteration 33: trace = 6.801915441680219 (5.85666e-05% change) large trace change predicted (0.0001179%) linmin: converged after 4 iterations. iteration 34: trace = 6.801907423888882 (0.000117876% change) linmin: converged after 3 iterations. iteration 35: trace = 6.801902761556573 (6.85445e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 6.801901494015955 (1.86351e-05% change) large trace change predicted (5.41487e-05%) linmin: converged after 5 iterations. iteration 37: trace = 6.801897811034239 (5.41464e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.801895866748854 (2.85845e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.801893985482835 (2.7658e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.80189147262107 (3.69436e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.801890700845299 (1.13465e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.801889235431657 (2.15442e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 6.801888224442996 (1.48634e-05% change) linmin: converged after 20 iterations. iteration 44: trace = 6.801887980840492 (3.5814e-06% change) large trace change predicted (7.42495e-06%) linmin: converged after 3 iterations. iteration 45: trace = 6.801887475818182 (7.42474e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.801887185178447 (4.27293e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 6.801886748234615 (6.42386e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.801885976399346 (1.13474e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.801885695022007 (4.13675e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 6.801885358625245 (4.94564e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.801885217423139 (2.07593e-06% change) linmin: converged after 17 iterations. iteration 52: trace = 6.801885140510589 (1.13075e-06% change) linmin: converged after 23 iterations. iteration 53: trace = 6.8018850178674 (1.80308e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.801884972661144 (6.64614e-07% change) large trace change predicted (1.67237e-06%) linmin: converged after 2 iterations. iteration 55: trace = 6.801884858907663 (1.67238e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 6.801884766735803 (1.35509e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 6.801884743365361 (3.43588e-07% change) large trace change predicted (7.51348e-07%) linmin: converged after 2 iterations. iteration 58: trace = 6.801884692259104 (7.51354e-07% change) linmin: converged after 7 iterations. iteration 59: trace = 6.801884672406457 (2.9187e-07% change) linmin: converged after 6 iterations. iteration 60: trace = 6.801884645652149 (3.93337e-07% change) linmin: converged after 3 iterations. iteration 61: trace = 6.801884622534045 (3.39878e-07% change) linmin: converged after 15 iterations. iteration 62: trace = 6.801884613615423 (1.3112e-07% change) large trace change predicted (2.88122e-07%) linmin: converged after 3 iterations. iteration 63: trace = 6.801884594016905 (2.88134e-07% change) linmin: converged after 8 iterations. iteration 64: trace = 6.801884584516095 (1.39679e-07% change) linmin: converged after 3 iterations. iteration 65: trace = 6.801884576469059 (1.18306e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.80188456659482 (1.45169e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.801884562881307 (5.45954e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.801884555493325 (1.08617e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.801884549058733 (9.46001e-08% change) resetting CG direction... linmin: converged after 15 iterations. iteration 70: trace = 6.801884547554034 (2.21218e-08% change) linmin: converged after 4 iterations. iteration 71: trace = 6.801884545383357 (3.19129e-08% change) linmin: converged after 8 iterations. iteration 72: trace = 6.801884544195199 (1.74681e-08% change) linmin: converged after 6 iterations. iteration 73: trace = 6.80188454315787 (1.52506e-08% change) linmin: converged after 5 iterations. iteration 74: trace = 6.801884541809432 (1.98245e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.801884541427446 (5.61588e-09% change) large trace change predicted (1.89351e-08%) linmin: converged after 4 iterations. iteration 76: trace = 6.801884540139519 (1.89349e-08% change) linmin: converged after 5 iterations. iteration 77: trace = 6.801884539692212 (6.57622e-09% change) linmin: converged after 7 iterations. iteration 78: trace = 6.801884539101566 (8.68356e-09% change) linmin: converged after 9 iterations. iteration 79: trace = 6.801884538450174 (9.57664e-09% change) linmin: converged after 3 iterations. iteration 80: trace = 6.801884538253588 (2.89018e-09% change) large trace change predicted (1.02646e-08%) linmin: converged after 4 iterations. iteration 81: trace = 6.8018845375554 (1.02646e-08% change) linmin: converged after 22 iterations. iteration 82: trace = 6.801884537150822 (5.94804e-09% change) linmin: converged after 5 iterations. iteration 83: trace = 6.801884536946329 (3.00641e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 6.801884536587771 (5.27146e-09% change) linmin: converged after 23 iterations. iteration 85: trace = 6.801884536358836 (3.36576e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.801884536234699 (1.82504e-09% change) linmin: converged after 14 iterations. iteration 87: trace = 6.801884536094423 (2.0623e-09% change) linmin: converged after 21 iterations. iteration 88: trace = 6.80188453605223 (6.20325e-10% change) large trace change predicted (1.76175e-09%) linmin: converged after 16 iterations. iteration 89: trace = 6.801884535932403 (1.76167e-09% change) linmin: converged after 3 iterations. iteration 90: trace = 6.801884535896058 (5.34339e-10% change) large trace change predicted (1.18821e-09%) linmin: converged after 6 iterations. iteration 91: trace = 6.801884535815229 (1.18833e-09% change) linmin: converged after 4 iterations. iteration 92: trace = 6.801884535775458 (5.84703e-10% change) linmin: converged after 16 iterations. iteration 93: trace = 6.80188453576309 (1.8183e-10% change) large trace change predicted (4.52487e-10%) linmin: converged after 3 iterations. iteration 94: trace = 6.801884535732312 (4.52493e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 6.801884535718283 (2.06248e-10% change) linmin: converged after 2 iterations. iteration 96: trace = 6.80188453570752 (1.58235e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 6.80188453569156 (2.34649e-10% change) linmin: converged after 10 iterations. iteration 98: trace = 6.801884535683443 (1.19335e-10% change) linmin: converged after 7 iterations. iteration 99: trace = 6.801884535667818 (2.29713e-10% change) linmin: converged after 12 iterations. iteration 100: trace = 6.801884535652636 (2.23197e-10% change) linmin: converged after 5 iterations. iteration 101: trace = 6.801884535649821 (4.13933e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 elapsed time for k point: 0.6847777366638184 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925882038649622 (0.0869782% change) linmin: converged after 3 iterations. iteration 2: trace = 6.922922600920973 (0.0427393% change) linmin: converged after 4 iterations. iteration 3: trace = 6.920648510496537 (0.0328541% change) linmin: converged after 3 iterations. iteration 4: trace = 6.919688753726099 (0.013869% change) linmin: converged after 4 iterations. iteration 5: trace = 6.919278633938682 (0.00592703% change) large trace change predicted (0.014567%) linmin: converged after 4 iterations. iteration 6: trace = 6.918274802967817 (0.0145088% change) linmin: converged after 4 iterations. iteration 7: trace = 6.917573100309901 (0.0101433% change) linmin: converged after 3 iterations. iteration 8: trace = 6.91717052878642 (0.00581972% change) linmin: converged after 4 iterations. iteration 9: trace = 6.916380857969879 (0.0114167% change) linmin: converged after 3 iterations. iteration 10: trace = 6.915938511134318 (0.00639584% change) linmin: converged after 4 iterations. iteration 11: trace = 6.915627903828851 (0.00449128% change) linmin: converged after 3 iterations. iteration 12: trace = 6.915057595408163 (0.008247% change) linmin: converged after 3 iterations. iteration 13: trace = 6.914570533658709 (0.00704374% change) linmin: converged after 4 iterations. iteration 14: trace = 6.914423410976549 (0.00212774% change) large trace change predicted (0.00433686%) linmin: converged after 3 iterations. iteration 15: trace = 6.914122172538979 (0.00435676% change) linmin: converged after 3 iterations. iteration 16: trace = 6.913960745971044 (0.00233476% change) linmin: converged after 3 iterations. iteration 17: trace = 6.913682738645422 (0.00402104% change) linmin: converged after 3 iterations. iteration 18: trace = 6.91356962437949 (0.00163611% change) linmin: converged after 3 iterations. iteration 19: trace = 6.913343496481604 (0.00327084% change) linmin: converged after 3 iterations. iteration 20: trace = 6.913262827542797 (0.00116687% change) linmin: converged after 5 iterations. iteration 21: trace = 6.913199855061523 (0.000910898% change) linmin: converged after 5 iterations. iteration 22: trace = 6.913142013102168 (0.000836692% change) linmin: converged after 5 iterations. iteration 23: trace = 6.913115926418768 (0.00037735% change) linmin: converged after 3 iterations. iteration 24: trace = 6.91309050341241 (0.000367751% change) linmin: converged after 5 iterations. iteration 25: trace = 6.913046686141634 (0.000633832% change) linmin: converged after 4 iterations. iteration 26: trace = 6.913020078791096 (0.000384887% change) linmin: converged after 4 iterations. iteration 27: trace = 6.913001671860747 (0.000266265% change) linmin: converged after 4 iterations. iteration 28: trace = 6.912976103550035 (0.000369859% change) linmin: converged after 3 iterations. iteration 29: trace = 6.912965350980596 (0.000155542% change) linmin: converged after 3 iterations. iteration 30: trace = 6.912958048248399 (0.000105638% change) linmin: converged after 3 iterations. iteration 31: trace = 6.912946398606992 (0.000168519% change) linmin: converged after 3 iterations. iteration 32: trace = 6.912938892000731 (0.000108588% change) linmin: converged after 4 iterations. iteration 33: trace = 6.912933382900912 (7.96926e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.912927765762557 (8.12555e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 6.912925419569552 (3.39392e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.912923360114467 (2.97914e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.912920250075139 (4.49888e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.912919169456714 (1.56319e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.912917519066674 (2.3874e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.912916315539269 (1.74098e-05% change) linmin: converged after 17 iterations. iteration 41: trace = 6.912915794332187 (7.53961e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 6.912915207571654 (8.48789e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 6.912914545833006 (9.5725e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 6.912914247706847 (4.3126e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912913753212571 (7.1532e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.912913163886589 (8.525e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.912912853153032 (4.49497e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.912912671740704 (2.62425e-06% change) linmin: converged after 11 iterations. iteration 49: trace = 6.912912518892522 (2.21105e-06% change) linmin: converged after 8 iterations. iteration 50: trace = 6.912912394741083 (1.79594e-06% change) linmin: converged after 3 iterations. iteration 51: trace = 6.912912299273549 (1.381e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.912912139298289 (2.31415e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.912912089732205 (7.17007e-07% change) linmin: converged after 6 iterations. iteration 54: trace = 6.912911998991057 (1.31263e-06% change) linmin: converged after 13 iterations. iteration 55: trace = 6.912911935450525 (9.19157e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 6.912911890746691 (6.46672e-07% change) linmin: converged after 7 iterations. iteration 57: trace = 6.912911840091572 (7.32761e-07% change) linmin: converged after 23 iterations. iteration 58: trace = 6.912911788980286 (7.3936e-07% change) linmin: converged after 13 iterations. iteration 59: trace = 6.912911777301217 (1.68946e-07% change) large trace change predicted (3.75959e-07%) linmin: converged after 4 iterations. iteration 60: trace = 6.912911751311498 (3.75959e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 6.912911731156905 (2.9155e-07% change) linmin: converged after 3 iterations. iteration 62: trace = 6.912911716265699 (2.15411e-07% change) large trace change predicted (4.65098e-07%) linmin: converged after 5 iterations. iteration 63: trace = 6.912911684115905 (4.65069e-07% change) linmin: converged after 25 iterations. iteration 64: trace = 6.912911662399061 (3.14149e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.912911652296632 (1.46139e-07% change) linmin: converged after 8 iterations. iteration 66: trace = 6.912911642987268 (1.34666e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 6.912911630407877 (1.8197e-07% change) linmin: converged after 4 iterations. iteration 68: trace = 6.912911622204324 (1.1867e-07% change) large trace change predicted (3.31162e-07%) linmin: converged after 6 iterations. iteration 69: trace = 6.912911599310582 (3.31174e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 6.91291158715795 (1.75796e-07% change) linmin: converged after 9 iterations. iteration 71: trace = 6.912911579317613 (1.13416e-07% change) linmin: converged after 21 iterations. iteration 72: trace = 6.912911566843272 (1.8045e-07% change) linmin: converged after 8 iterations. iteration 73: trace = 6.912911546531986 (2.93817e-07% change) linmin: converged after 4 iterations. iteration 74: trace = 6.912911524245919 (3.22383e-07% change) large trace change predicted (3.42786e-06%) linmin: converged after 4 iterations. iteration 75: trace = 6.912911287072744 (3.43087e-06% change) near maximum in trace linmin: converged after 11 iterations. iteration 76: trace = 6.909888069531068 (0.0437425% change) linmin: converged after 9 iterations. iteration 77: trace = 6.909887784314146 (4.12766e-06% change) linmin: converged after 7 iterations. iteration 78: trace = 6.909887500338854 (4.10969e-06% change) linmin: converged after 14 iterations. iteration 79: trace = 6.909887217639132 (4.09123e-06% change) linmin: converged after 7 iterations. iteration 80: trace = 6.909886936250768 (4.07226e-06% change) linmin: converged after 8 iterations. iteration 81: trace = 6.909886656139765 (4.05377e-06% change) linmin: converged after 17 iterations. iteration 82: trace = 6.909886377358567 (4.03453e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.909886099873157 (4.01577e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.909885823729661 (3.99635e-06% change) linmin: converged after 8 iterations. iteration 85: trace = 6.909885548913243 (3.97715e-06% change) linmin: converged after 7 iterations. iteration 86: trace = 6.909885275421666 (3.95798e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.909885003270273 (3.93858e-06% change) linmin: converged after 7 iterations. iteration 88: trace = 6.909884732454676 (3.91925e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.909884462957761 (3.90017e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 6.909884194815677 (3.88056e-06% change) linmin: converged after 9 iterations. iteration 91: trace = 6.909883928009607 (3.86122e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 6.909883662522455 (3.84214e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 6.909883398382966 (3.82263e-06% change) linmin: converged after 5 iterations. iteration 94: trace = 6.909883135572693 (3.8034e-06% change) linmin: converged after 11 iterations. iteration 95: trace = 6.909882874088034 (3.78421e-06% change) linmin: converged after 9 iterations. iteration 96: trace = 6.909882613924315 (3.7651e-06% change) linmin: converged after 14 iterations. iteration 97: trace = 6.909882355073152 (3.7461e-06% change) linmin: converged after 12 iterations. iteration 98: trace = 6.909882097524109 (3.72726e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 6.909881841295443 (3.70815e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 6.909881586353091 (3.68953e-06% change) linmin: converged after 6 iterations. iteration 101: trace = 6.909881332717889 (3.67062e-06% change) linmin: converged after 14 iterations. iteration 102: trace = 6.9098810803694 (3.65199e-06% change) linmin: converged after 6 iterations. iteration 103: trace = 6.909880829294897 (3.63356e-06% change) linmin: converged after 4 iterations. iteration 104: trace = 6.909880579485906 (3.61524e-06% change) linmin: converged after 6 iterations. iteration 105: trace = 6.909880330953644 (3.59677e-06% change) linmin: converged after 5 iterations. iteration 106: trace = 6.909880083666328 (3.57875e-06% change) linmin: converged after 5 iterations. iteration 107: trace = 6.909879837638996 (3.56052e-06% change) linmin: converged after 5 iterations. iteration 108: trace = 6.909879592851689 (3.54257e-06% change) linmin: converged after 9 iterations. iteration 109: trace = 6.909879349295867 (3.52475e-06% change) linmin: converged after 7 iterations. iteration 110: trace = 6.909879106952831 (3.5072e-06% change) linmin: converged after 5 iterations. iteration 111: trace = 6.909878865833756 (3.48948e-06% change) linmin: converged after 12 iterations. iteration 112: trace = 6.909878625919669 (3.47204e-06% change) linmin: converged after 6 iterations. iteration 113: trace = 6.909878387191959 (3.45488e-06% change) linmin: converged after 4 iterations. iteration 114: trace = 6.909878149651229 (3.4377e-06% change) linmin: converged after 8 iterations. iteration 115: trace = 6.909877913297339 (3.42052e-06% change) linmin: converged after 6 iterations. iteration 116: trace = 6.90987767810282 (3.40374e-06% change) linmin: converged after 5 iterations. iteration 117: trace = 6.909877444075966 (3.38685e-06% change) linmin: converged after 8 iterations. iteration 118: trace = 6.909877211198532 (3.37021e-06% change) linmin: converged after 6 iterations. iteration 119: trace = 6.909876979452967 (3.35383e-06% change) linmin: converged after 5 iterations. iteration 120: trace = 6.909876748846052 (3.33735e-06% change) linmin: converged after 6 iterations. iteration 121: trace = 6.90987651936019 (3.32113e-06% change) linmin: converged after 5 iterations. iteration 122: trace = 6.909876290978394 (3.30515e-06% change) linmin: converged after 14 iterations. iteration 123: trace = 6.909876063706172 (3.28909e-06% change) linmin: converged after 6 iterations. iteration 124: trace = 6.909875837526572 (3.27328e-06% change) linmin: converged after 4 iterations. iteration 125: trace = 6.909875612423232 (3.2577e-06% change) linmin: converged after 14 iterations. iteration 126: trace = 6.909875388400514 (3.24207e-06% change) linmin: converged after 14 iterations. iteration 127: trace = 6.909875165442156 (3.22666e-06% change) linmin: converged after 7 iterations. iteration 128: trace = 6.909874943538734 (3.2114e-06% change) linmin: converged after 5 iterations. iteration 129: trace = 6.90987472268094 (3.19626e-06% change) linmin: converged after 6 iterations. iteration 130: trace = 6.909874502859484 (3.18127e-06% change) linmin: converged after 6 iterations. iteration 131: trace = 6.909874284059315 (3.16649e-06% change) linmin: converged after 8 iterations. iteration 132: trace = 6.90987406627721 (3.15175e-06% change) linmin: converged after 7 iterations. iteration 133: trace = 6.909873849504065 (3.13715e-06% change) linmin: converged after 7 iterations. iteration 134: trace = 6.909873633736144 (3.1226e-06% change) linmin: converged after 6 iterations. iteration 135: trace = 6.909873418958933 (3.10827e-06% change) linmin: converged after 6 iterations. iteration 136: trace = 6.909873205158356 (3.09413e-06% change) linmin: converged after 6 iterations. iteration 137: trace = 6.909872992335758 (3.07998e-06% change) linmin: converged after 6 iterations. iteration 138: trace = 6.909872780477195 (3.06603e-06% change) linmin: converged after 8 iterations. iteration 139: trace = 6.909872569573944 (3.0522e-06% change) resetting CG direction... large trace change predicted (0.146065%) linmin: converged after 6 iterations. iteration 140: trace = 6.900112807874646 (0.141344% change) linmin: converged after 4 iterations. iteration 141: trace = 6.886754650031223 (0.193781% change) linmin: converged after 4 iterations. iteration 142: trace = 6.877135062572776 (0.13978% change) linmin: converged after 3 iterations. iteration 143: trace = 6.870506267082638 (0.0964354% change) linmin: converged after 4 iterations. iteration 144: trace = 6.860551169816624 (0.145001% change) linmin: converged after 4 iterations. iteration 145: trace = 6.850685274511307 (0.14391% change) linmin: converged after 4 iterations. iteration 146: trace = 6.843740497784712 (0.101425% change) large trace change predicted (0.309023%) linmin: converged after 5 iterations. iteration 147: trace = 6.823623760537448 (0.294376% change) linmin: converged after 4 iterations. iteration 148: trace = 6.812400398950951 (0.164613% change) linmin: converged after 4 iterations. iteration 149: trace = 6.804952571758172 (0.109387% change) linmin: converged after 4 iterations. iteration 150: trace = 6.792622572528646 (0.181356% change) linmin: converged after 3 iterations. iteration 151: trace = 6.786226468461249 (0.0942069% change) linmin: converged after 4 iterations. iteration 152: trace = 6.774034327979193 (0.179822% change) linmin: converged after 4 iterations. iteration 153: trace = 6.763597790162811 (0.154186% change) linmin: converged after 4 iterations. iteration 154: trace = 6.751468321352629 (0.179496% change) linmin: converged after 4 iterations. iteration 155: trace = 6.744733604502644 (0.0998017% change) linmin: converged after 4 iterations. iteration 156: trace = 6.736517955733518 (0.121883% change) linmin: converged after 4 iterations. iteration 157: trace = 6.730507893032328 (0.089256% change) linmin: converged after 4 iterations. iteration 158: trace = 6.725610070146183 (0.072797% change) linmin: converged after 3 iterations. iteration 159: trace = 6.720070429549343 (0.0824003% change) linmin: converged after 4 iterations. iteration 160: trace = 6.716398936957599 (0.0546497% change) linmin: converged after 4 iterations. iteration 161: trace = 6.711723245098755 (0.0696403% change) linmin: converged after 3 iterations. iteration 162: trace = 6.708465862307571 (0.0485445% change) linmin: converged after 3 iterations. iteration 163: trace = 6.705377631218511 (0.0460454% change) linmin: converged after 3 iterations. iteration 164: trace = 6.7019681115547 (0.0508605% change) linmin: converged after 14 iterations. iteration 165: trace = 6.699720408550249 (0.0335436% change) linmin: converged after 3 iterations. iteration 166: trace = 6.697586295582607 (0.0318588% change) linmin: converged after 3 iterations. iteration 167: trace = 6.695563917062481 (0.0302002% change) linmin: converged after 3 iterations. iteration 168: trace = 6.69318995521045 (0.035462% change) linmin: converged after 4 iterations. iteration 169: trace = 6.691847708888887 (0.0200559% change) linmin: converged after 3 iterations. iteration 170: trace = 6.689836878793695 (0.0300535% change) linmin: converged after 3 iterations. iteration 171: trace = 6.68897407054505 (0.0128981% change) linmin: converged after 3 iterations. iteration 172: trace = 6.687710436118384 (0.0188931% change) linmin: converged after 3 iterations. iteration 173: trace = 6.687077366461639 (0.00946661% change) linmin: converged after 3 iterations. iteration 174: trace = 6.686055406055767 (0.0152838% change) linmin: converged after 3 iterations. iteration 175: trace = 6.685450523046256 (0.00904734% change) linmin: converged after 3 iterations. iteration 176: trace = 6.684549996350713 (0.0134709% change) linmin: converged after 3 iterations. iteration 177: trace = 6.684090730238815 (0.0068708% change) linmin: converged after 3 iterations. iteration 178: trace = 6.683536768548096 (0.00828811% change) linmin: converged after 3 iterations. iteration 179: trace = 6.683209332057007 (0.00489927% change) linmin: converged after 3 iterations. iteration 180: trace = 6.682804628345735 (0.00605571% change) linmin: converged after 3 iterations. iteration 181: trace = 6.682500737701841 (0.00454746% change) linmin: converged after 6 iterations. iteration 182: trace = 6.682187984963646 (0.00468028% change) linmin: converged after 3 iterations. iteration 183: trace = 6.681941626589951 (0.00368686% change) linmin: converged after 3 iterations. iteration 184: trace = 6.681749517040164 (0.0028751% change) linmin: converged after 3 iterations. iteration 185: trace = 6.681583318928936 (0.00248738% change) linmin: converged after 5 iterations. iteration 186: trace = 6.681435949572898 (0.00220563% change) linmin: converged after 3 iterations. iteration 187: trace = 6.681306362279191 (0.00193953% change) linmin: converged after 5 iterations. iteration 188: trace = 6.68118616255739 (0.00179906% change) linmin: converged after 3 iterations. iteration 189: trace = 6.681029168186527 (0.00234983% change) linmin: converged after 4 iterations. iteration 190: trace = 6.68091788698604 (0.00166564% change) linmin: converged after 4 iterations. iteration 191: trace = 6.680793007016501 (0.00186922% change) linmin: converged after 3 iterations. iteration 192: trace = 6.680698925300111 (0.00140825% change) linmin: converged after 3 iterations. iteration 193: trace = 6.680603490590562 (0.00142852% change) linmin: converged after 3 iterations. iteration 194: trace = 6.680555992876951 (0.000710982% change) linmin: converged after 3 iterations. iteration 195: trace = 6.680497530806602 (0.000875112% change) linmin: converged after 4 iterations. iteration 196: trace = 6.680465917269473 (0.000473222% change) linmin: converged after 5 iterations. iteration 197: trace = 6.680419024356515 (0.000701943% change) linmin: converged after 3 iterations. iteration 198: trace = 6.680388053627762 (0.000463606% change) linmin: converged after 3 iterations. iteration 199: trace = 6.680345252324641 (0.000640703% change) linmin: converged after 4 iterations. iteration 200: trace = 6.680315656044407 (0.000443036% change) linmin: converged after 13 iterations. iteration 201: trace = 6.680273977133462 (0.000623908% change) linmin: converged after 3 iterations. iteration 202: trace = 6.680252940741233 (0.000314904% change) linmin: converged after 4 iterations. iteration 203: trace = 6.680221024379043 (0.000477773% change) linmin: converged after 3 iterations. iteration 204: trace = 6.680206060237897 (0.000224007% change) linmin: converged after 3 iterations. iteration 205: trace = 6.680188908244978 (0.000256759% change) linmin: converged after 3 iterations. iteration 206: trace = 6.680180723571723 (0.000122522% change) linmin: converged after 3 iterations. iteration 207: trace = 6.680167171789034 (0.000202866% change) linmin: converged after 3 iterations. iteration 208: trace = 6.680160724540633 (9.65133e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 6.680149211613839 (0.000172345% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 6.680141306405188 (0.000118339% change) linmin: converged after 4 iterations. iteration 211: trace = 6.680129707104666 (0.000173639% change) linmin: converged after 4 iterations. iteration 212: trace = 6.680117724787703 (0.000179373% change) linmin: converged after 3 iterations. iteration 213: trace = 6.680112548768048 (7.7484e-05% change) linmin: converged after 4 iterations. iteration 214: trace = 6.680102826504739 (0.000145541% change) linmin: converged after 10 iterations. iteration 215: trace = 6.680094664191323 (0.000122189% change) linmin: converged after 3 iterations. iteration 216: trace = 6.680091552906312 (4.65755e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 6.680087526994608 (6.02673e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 6.680084055736089 (5.19643e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 6.680083094998932 (1.43821e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 6.680081318393286 (2.65956e-05% change) linmin: converged after 2 iterations. iteration 221: trace = 6.680079323617409 (2.98616e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 6.680077671618371 (2.47302e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 6.680075761057959 (2.86009e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 6.680073835787651 (2.88211e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 6.680073222712853 (9.17767e-06% change) linmin: converged after 3 iterations. iteration 226: trace = 6.680072529492016 (1.03774e-05% change) linmin: converged after 4 iterations. iteration 227: trace = 6.680071660450433 (1.30095e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 6.680071348592291 (4.66849e-06% change) linmin: converged after 3 iterations. iteration 229: trace = 6.680070763749358 (8.75504e-06% change) linmin: converged after 2 iterations. iteration 230: trace = 6.680070265447124 (7.45954e-06% change) linmin: converged after 4 iterations. iteration 231: trace = 6.680069810866106 (6.80503e-06% change) linmin: converged after 3 iterations. iteration 232: trace = 6.680069647127132 (2.45116e-06% change) large trace change predicted (5.89221e-06%) linmin: converged after 2 iterations. iteration 233: trace = 6.680069253517108 (5.8923e-06% change) linmin: converged after 4 iterations. iteration 234: trace = 6.680068947926481 (4.57466e-06% change) linmin: converged after 2 iterations. iteration 235: trace = 6.680068802272046 (2.18043e-06% change) linmin: converged after 13 iterations. iteration 236: trace = 6.680068641203307 (2.41118e-06% change) linmin: converged after 5 iterations. iteration 237: trace = 6.680068538496874 (1.53751e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 6.680068501532514 (5.53353e-07% change) linmin: converged after 3 iterations. iteration 239: trace = 6.680068438512994 (9.43396e-07% change) linmin: converged after 5 iterations. iteration 240: trace = 6.680068379295211 (8.86485e-07% change) linmin: converged after 11 iterations. iteration 241: trace = 6.680068348463998 (4.6154e-07% change) linmin: converged after 4 iterations. iteration 242: trace = 6.68006830935616 (5.85441e-07% change) linmin: converged after 4 iterations. iteration 243: trace = 6.680068281396476 (4.18554e-07% change) linmin: converged after 5 iterations. iteration 244: trace = 6.680068269147787 (1.83362e-07% change) linmin: converged after 5 iterations. iteration 245: trace = 6.6800682516701 (2.61639e-07% change) linmin: converged after 6 iterations. iteration 246: trace = 6.680068231541936 (3.01317e-07% change) linmin: converged after 4 iterations. iteration 247: trace = 6.68006822014569 (1.70601e-07% change) linmin: converged after 4 iterations. iteration 248: trace = 6.680068214812728 (7.9834e-08% change) linmin: converged after 4 iterations. iteration 249: trace = 6.680068207046533 (1.16259e-07% change) linmin: converged after 7 iterations. iteration 250: trace = 6.68006819870077 (1.24935e-07% change) linmin: converged after 4 iterations. iteration 251: trace = 6.680068195620726 (4.6108e-08% change) linmin: converged after 4 iterations. iteration 252: trace = 6.680068190690411 (7.38064e-08% change) linmin: converged after 6 iterations. iteration 253: trace = 6.680068188124061 (3.8418e-08% change) linmin: converged after 31 iterations. iteration 254: trace = 6.680068186230165 (2.83514e-08% change) linmin: converged after 4 iterations. iteration 255: trace = 6.680068183548971 (4.01372e-08% change) linmin: converged after 6 iterations. iteration 256: trace = 6.680068181084417 (3.68941e-08% change) linmin: converged after 9 iterations. iteration 257: trace = 6.680068180529753 (8.30327e-09% change) linmin: converged after 4 iterations. iteration 258: trace = 6.680068179648179 (1.31971e-08% change) linmin: converged after 10 iterations. iteration 259: trace = 6.680068178936502 (1.06538e-08% change) linmin: converged after 7 iterations. iteration 260: trace = 6.680068178568506 (5.50886e-09% change) linmin: converged after 7 iterations. iteration 261: trace = 6.680068178358582 (3.14255e-09% change) linmin: converged after 5 iterations. iteration 262: trace = 6.680068178086279 (4.07635e-09% change) linmin: converged after 4 iterations. iteration 263: trace = 6.680068177950682 (2.02987e-09% change) linmin: converged after 4 iterations. iteration 264: trace = 6.680068177805048 (2.18012e-09% change) linmin: converged after 4 iterations. iteration 265: trace = 6.680068177579251 (3.38016e-09% change) linmin: converged after 21 iterations. iteration 266: trace = 6.680068177456648 (1.83536e-09% change) linmin: converged after 22 iterations. iteration 267: trace = 6.680068177411629 (6.73932e-10% change) large trace change predicted (1.36988e-09%) linmin: converged after 4 iterations. iteration 268: trace = 6.680068177320161 (1.36927e-09% change) linmin: converged after 3 iterations. iteration 269: trace = 6.680068177254681 (9.80231e-10% change) linmin: converged after 11 iterations. iteration 270: trace = 6.680068177226591 (4.20498e-10% change) linmin: converged after 13 iterations. iteration 271: trace = 6.68006817717807 (7.26358e-10% change) linmin: converged after 4 iterations. iteration 272: trace = 6.680068177149542 (4.27053e-10% change) linmin: converged after 15 iterations. iteration 273: trace = 6.680068177134154 (2.30366e-10% change) linmin: converged after 7 iterations. iteration 274: trace = 6.680068177119505 (2.1929e-10% change) linmin: converged after 16 iterations. iteration 275: trace = 6.68006817709515 (3.64588e-10% change) linmin: converged after 4 iterations. iteration 276: trace = 6.680068177089201 (8.90696e-11% change) Finished solving for bands 1 to 8 after 276 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 elapsed time for k point: 1.9766364097595215 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.654587647107056 (0.0686622% change) linmin: converged after 4 iterations. iteration 2: trace = 6.650159867781105 (0.0665594% change) linmin: converged after 4 iterations. iteration 3: trace = 6.648179278398916 (0.029787% change) linmin: converged after 11 iterations. iteration 4: trace = 6.64753428827374 (0.00970223% change) linmin: converged after 4 iterations. iteration 5: trace = 6.646966711507838 (0.00853852% change) linmin: converged after 3 iterations. iteration 6: trace = 6.645994103904903 (0.0146334% change) linmin: converged after 7 iterations. iteration 7: trace = 6.645304795434273 (0.0103723% change) linmin: converged after 5 iterations. iteration 8: trace = 6.644933112305865 (0.00559333% change) linmin: converged after 4 iterations. iteration 9: trace = 6.644423384405195 (0.00767122% change) linmin: converged after 3 iterations. iteration 10: trace = 6.644201201600824 (0.00334395% change) linmin: converged after 3 iterations. iteration 11: trace = 6.643990357561754 (0.0031734% change) linmin: converged after 4 iterations. iteration 12: trace = 6.643843598182427 (0.00220893% change) linmin: converged after 3 iterations. iteration 13: trace = 6.643564792914024 (0.00419653% change) linmin: converged after 4 iterations. iteration 14: trace = 6.643279683137933 (0.00429161% change) linmin: converged after 3 iterations. iteration 15: trace = 6.643071635833856 (0.00313174% change) linmin: converged after 13 iterations. iteration 16: trace = 6.642974802986185 (0.00145766% change) linmin: converged after 4 iterations. iteration 17: trace = 6.642909152389527 (0.000988276% change) linmin: converged after 3 iterations. iteration 18: trace = 6.642890198485007 (0.000285326% change) linmin: converged after 5 iterations. iteration 19: trace = 6.642868869752618 (0.000321077% change) linmin: converged after 3 iterations. iteration 20: trace = 6.642841265095529 (0.000415554% change) linmin: converged after 7 iterations. iteration 21: trace = 6.642822909072448 (0.000276328% change) linmin: converged after 3 iterations. iteration 22: trace = 6.642805067487298 (0.000268585% change) linmin: converged after 3 iterations. iteration 23: trace = 6.642791440630938 (0.000205137% change) linmin: converged after 4 iterations. iteration 24: trace = 6.642785629385782 (8.7482e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 6.642782972183236 (4.00013e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.642780011656292 (4.45676e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.642778218592625 (2.69927e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 6.642777034519781 (1.7825e-05% change) large trace change predicted (3.72542e-05%) linmin: converged after 5 iterations. iteration 29: trace = 6.642774560797502 (3.72393e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.642773636337617 (1.39168e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.642772723116847 (1.37476e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.642771828275745 (1.34709e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.6427708758641 (1.43376e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.642770554213544 (4.84211e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 6.642770128476467 (6.40903e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 6.642769885792485 (3.65336e-06% change) linmin: converged after 14 iterations. iteration 37: trace = 6.64276977675445 (1.64145e-06% change) linmin: converged after 4 iterations. iteration 38: trace = 6.642769636190063 (2.11605e-06% change) linmin: converged after 2 iterations. iteration 39: trace = 6.64276952993943 (1.59949e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 6.642769482550485 (7.13391e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 6.642769417347201 (9.81568e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 6.642769380718978 (5.514e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 6.642769352341737 (4.2719e-07% change) linmin: converged after 15 iterations. iteration 44: trace = 6.642769335010302 (2.60907e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 6.642769308420513 (4.00282e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.642769295753125 (1.90694e-07% change) linmin: converged after 7 iterations. iteration 47: trace = 6.642769286124278 (1.44952e-07% change) linmin: converged after 2 iterations. iteration 48: trace = 6.642769278116051 (1.20556e-07% change) linmin: converged after 15 iterations. iteration 49: trace = 6.642769268635163 (1.42725e-07% change) linmin: converged after 3 iterations. iteration 50: trace = 6.642769264679356 (5.95506e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 6.642769258364048 (9.50704e-08% change) linmin: converged after 2 iterations. iteration 52: trace = 6.642769255028356 (5.02154e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 6.642769253596793 (2.15507e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 6.642769251332918 (3.40803e-08% change) linmin: converged after 3 iterations. iteration 55: trace = 6.64276925007824 (1.88879e-08% change) linmin: converged after 3 iterations. iteration 56: trace = 6.642769249336583 (1.11649e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.642769248110906 (1.84513e-08% change) linmin: converged after 10 iterations. iteration 58: trace = 6.642769246939288 (1.76375e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.642769246530508 (6.15375e-09% change) linmin: converged after 3 iterations. iteration 60: trace = 6.642769246056794 (7.13128e-09% change) linmin: converged after 4 iterations. iteration 61: trace = 6.642769245799189 (3.87797e-09% change) linmin: converged after 12 iterations. iteration 62: trace = 6.642769245597216 (3.0405e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.64276924536166 (3.54604e-09% change) linmin: converged after 4 iterations. iteration 64: trace = 6.642769245063349 (4.49077e-09% change) linmin: converged after 21 iterations. iteration 65: trace = 6.642769244986269 (1.16035e-09% change) linmin: converged after 4 iterations. iteration 66: trace = 6.642769244866158 (1.80815e-09% change) linmin: converged after 12 iterations. iteration 67: trace = 6.642769244789783 (1.14974e-09% change) linmin: converged after 5 iterations. iteration 68: trace = 6.64276924474427 (6.85163e-10% change) linmin: converged after 5 iterations. iteration 69: trace = 6.642769244696984 (7.11838e-10% change) resetting CG direction... linmin: converged after 11 iterations. iteration 70: trace = 6.642769244672526 (3.68186e-10% change) linmin: converged after 17 iterations. iteration 71: trace = 6.642769244656923 (2.34895e-10% change) linmin: converged after 12 iterations. iteration 72: trace = 6.642769244637179 (2.97215e-10% change) linmin: converged after 7 iterations. iteration 73: trace = 6.642769244619195 (2.70741e-10% change) linmin: converged after 6 iterations. iteration 74: trace = 6.642769244609402 (1.47411e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.642769244598618 (1.62346e-10% change) linmin: converged after 4 iterations. iteration 76: trace = 6.642769244581568 (2.56675e-10% change) linmin: converged after 6 iterations. iteration 77: trace = 6.642769244576151 (8.15473e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 elapsed time for k point: 0.6809980869293213 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.68742931650452 (0.117811% change) linmin: converged after 3 iterations. iteration 2: trace = 6.68264724993627 (0.0715339% change) linmin: converged after 4 iterations. iteration 3: trace = 6.679627785477054 (0.0451939% change) linmin: converged after 4 iterations. iteration 4: trace = 6.674424620075824 (0.0779264% change) linmin: converged after 4 iterations. iteration 5: trace = 6.670593745708849 (0.0574128% change) linmin: converged after 3 iterations. iteration 6: trace = 6.669532231866325 (0.0159146% change) linmin: converged after 4 iterations. iteration 7: trace = 6.668698851707744 (0.0124961% change) linmin: converged after 4 iterations. iteration 8: trace = 6.667450144262116 (0.0187267% change) linmin: converged after 4 iterations. iteration 9: trace = 6.666854082081396 (0.00894028% change) linmin: converged after 3 iterations. iteration 10: trace = 6.666560972014663 (0.00439662% change) large trace change predicted (0.0103219%) linmin: converged after 4 iterations. iteration 11: trace = 6.665873835374994 (0.0103077% change) linmin: converged after 3 iterations. iteration 12: trace = 6.665343845652399 (0.00795111% change) linmin: converged after 4 iterations. iteration 13: trace = 6.6649606862781 (0.0057487% change) linmin: converged after 4 iterations. iteration 14: trace = 6.664471825373208 (0.00733506% change) linmin: converged after 3 iterations. iteration 15: trace = 6.664343389402832 (0.00192719% change) linmin: converged after 3 iterations. iteration 16: trace = 6.664235362018363 (0.00162099% change) linmin: converged after 3 iterations. iteration 17: trace = 6.664099940391363 (0.00203209% change) linmin: converged after 3 iterations. iteration 18: trace = 6.663928196790676 (0.00257718% change) linmin: converged after 3 iterations. iteration 19: trace = 6.663861617064658 (0.000999111% change) linmin: converged after 4 iterations. iteration 20: trace = 6.663812745431779 (0.000733386% change) linmin: converged after 3 iterations. iteration 21: trace = 6.663735496481276 (0.00115924% change) linmin: converged after 3 iterations. iteration 22: trace = 6.663674584800469 (0.000914081% change) linmin: converged after 3 iterations. iteration 23: trace = 6.663634505870812 (0.000601456% change) linmin: converged after 9 iterations. iteration 24: trace = 6.663593036444581 (0.000622326% change) linmin: converged after 3 iterations. iteration 25: trace = 6.663573590797871 (0.00029182% change) linmin: converged after 3 iterations. iteration 26: trace = 6.663564019963311 (0.000143629% change) linmin: converged after 5 iterations. iteration 27: trace = 6.663549047822354 (0.000224687% change) linmin: converged after 3 iterations. iteration 28: trace = 6.663543235432437 (8.72267e-05% change) linmin: converged after 3 iterations. iteration 29: trace = 6.663539630863594 (5.40939e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.663536020892542 (5.4175e-05% change) large trace change predicted (0.000126921%) linmin: converged after 3 iterations. iteration 31: trace = 6.663527561138237 (0.000126956% change) linmin: converged after 3 iterations. iteration 32: trace = 6.663522804103543 (7.13892e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.663519840010221 (4.44824e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.663516773109635 (4.60252e-05% change) linmin: converged after 10 iterations. iteration 35: trace = 6.663513854797477 (4.37954e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.66351282127115 (1.55102e-05% change) large trace change predicted (3.45247e-05%) linmin: converged after 4 iterations. iteration 37: trace = 6.663510520492019 (3.4528e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.663509473855813 (1.5707e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 6.66350905948412 (6.21852e-06% change) large trace change predicted (1.52973e-05%) linmin: converged after 4 iterations. iteration 40: trace = 6.663508040074779 (1.52984e-05% change) linmin: converged after 13 iterations. iteration 41: trace = 6.66350736878073 (1.00742e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.663506898774938 (7.05343e-06% change) linmin: converged after 3 iterations. iteration 43: trace = 6.663506558850175 (5.10129e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 6.663506414509431 (2.16614e-06% change) linmin: converged after 28 iterations. iteration 45: trace = 6.663506331481697 (1.24601e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.663506215056473 (1.74721e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.663506039962352 (2.62766e-06% change) linmin: converged after 18 iterations. iteration 48: trace = 6.663505983919635 (8.41039e-07% change) linmin: converged after 11 iterations. iteration 49: trace = 6.663505907580257 (1.14563e-06% change) linmin: converged after 13 iterations. iteration 50: trace = 6.663505851053846 (8.48298e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 6.663505805273885 (6.87025e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 6.663505790517945 (2.21444e-07% change) linmin: converged after 3 iterations. iteration 53: trace = 6.663505766537905 (3.59871e-07% change) linmin: converged after 5 iterations. iteration 54: trace = 6.663505741527417 (3.75335e-07% change) linmin: converged after 23 iterations. iteration 55: trace = 6.663505723766454 (2.66541e-07% change) linmin: converged after 30 iterations. iteration 56: trace = 6.663505707395612 (2.45679e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.663505697307992 (1.51386e-07% change) linmin: converged after 9 iterations. iteration 58: trace = 6.663505694719878 (3.88401e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.663505691931844 (4.18403e-08% change) linmin: converged after 5 iterations. iteration 60: trace = 6.663505688935059 (4.49731e-08% change) linmin: converged after 6 iterations. iteration 61: trace = 6.663505686196303 (4.11008e-08% change) linmin: converged after 4 iterations. iteration 62: trace = 6.663505684949426 (1.8712e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 6.663505683329686 (2.43076e-08% change) linmin: converged after 12 iterations. iteration 64: trace = 6.663505682013065 (1.97587e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 6.663505681318125 (1.0429e-08% change) linmin: converged after 4 iterations. iteration 66: trace = 6.66350568000373 (1.97253e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.66350567919139 (1.21909e-08% change) linmin: converged after 6 iterations. iteration 68: trace = 6.663505678759838 (6.47635e-09% change) linmin: converged after 4 iterations. iteration 69: trace = 6.663505678470865 (4.33666e-09% change) resetting CG direction... linmin: converged after 8 iterations. iteration 70: trace = 6.663505678324041 (2.2034e-09% change) linmin: converged after 4 iterations. iteration 71: trace = 6.663505678226369 (1.46578e-09% change) linmin: converged after 6 iterations. iteration 72: trace = 6.663505678094277 (1.98233e-09% change) linmin: converged after 10 iterations. iteration 73: trace = 6.663505677965077 (1.93892e-09% change) linmin: converged after 18 iterations. iteration 74: trace = 6.66350567790878 (8.44845e-10% change) linmin: converged after 5 iterations. iteration 75: trace = 6.663505677805992 (1.54256e-09% change) linmin: converged after 17 iterations. iteration 76: trace = 6.663505677741501 (9.67818e-10% change) linmin: converged after 4 iterations. iteration 77: trace = 6.663505677712489 (4.35392e-10% change) linmin: converged after 6 iterations. iteration 78: trace = 6.663505677678069 (5.16539e-10% change) linmin: converged after 4 iterations. iteration 79: trace = 6.663505677642904 (5.27722e-10% change) linmin: converged after 3 iterations. iteration 80: trace = 6.663505677622344 (3.08553e-10% change) linmin: converged after 4 iterations. iteration 81: trace = 6.66350567759534 (4.05255e-10% change) linmin: converged after 7 iterations. iteration 82: trace = 6.663505677568731 (3.99323e-10% change) linmin: converged after 8 iterations. iteration 83: trace = 6.663505677547433 (3.19616e-10% change) linmin: converged after 6 iterations. iteration 84: trace = 6.66350567753745 (1.49818e-10% change) linmin: converged after 17 iterations. iteration 85: trace = 6.663505677527924 (1.42953e-10% change) linmin: converged after 3 iterations. iteration 86: trace = 6.663505677520225 (1.15549e-10% change) linmin: converged after 4 iterations. iteration 87: trace = 6.663505677515312 (7.37227e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 elapsed time for k point: 1.3025052547454834 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.744447576192536 (0.144039% change) linmin: converged after 4 iterations. iteration 2: trace = 6.737974342923063 (0.0960248% change) linmin: converged after 4 iterations. iteration 3: trace = 6.732141779138002 (0.0866001% change) linmin: converged after 10 iterations. iteration 4: trace = 6.724828824799297 (0.108686% change) linmin: converged after 4 iterations. iteration 5: trace = 6.721434301434448 (0.0504902% change) linmin: converged after 3 iterations. iteration 6: trace = 6.718962207953828 (0.036786% change) linmin: converged after 4 iterations. iteration 7: trace = 6.717543137081957 (0.0211226% change) linmin: converged after 4 iterations. iteration 8: trace = 6.716463667344186 (0.0160707% change) linmin: converged after 3 iterations. iteration 9: trace = 6.715767538644822 (0.010365% change) linmin: converged after 4 iterations. iteration 10: trace = 6.714605745657165 (0.017301% change) linmin: converged after 4 iterations. iteration 11: trace = 6.713521880138656 (0.0161432% change) linmin: converged after 3 iterations. iteration 12: trace = 6.712581824447608 (0.0140034% change) linmin: converged after 3 iterations. iteration 13: trace = 6.711589810654388 (0.0147795% change) linmin: converged after 3 iterations. iteration 14: trace = 6.710907667568817 (0.0101642% change) linmin: converged after 10 iterations. iteration 15: trace = 6.710743951444661 (0.00243958% change) linmin: converged after 3 iterations. iteration 16: trace = 6.710422647844937 (0.00478801% change) linmin: converged after 3 iterations. iteration 17: trace = 6.710149737642435 (0.00406704% change) linmin: converged after 3 iterations. iteration 18: trace = 6.709926502205309 (0.00332689% change) linmin: converged after 3 iterations. iteration 19: trace = 6.709615223170183 (0.00463919% change) linmin: converged after 3 iterations. iteration 20: trace = 6.709383091625185 (0.00345974% change) linmin: converged after 5 iterations. iteration 21: trace = 6.709272391414308 (0.00164994% change) linmin: converged after 3 iterations. iteration 22: trace = 6.709164433466661 (0.0016091% change) linmin: converged after 5 iterations. iteration 23: trace = 6.70908228328382 (0.00122445% change) linmin: converged after 3 iterations. iteration 24: trace = 6.709040655657285 (0.000620469% change) linmin: converged after 5 iterations. iteration 25: trace = 6.709012986378738 (0.000412419% change) linmin: converged after 5 iterations. iteration 26: trace = 6.708973601698106 (0.000587043% change) linmin: converged after 4 iterations. iteration 27: trace = 6.708949152657861 (0.000364424% change) linmin: converged after 3 iterations. iteration 28: trace = 6.70893965639722 (0.000141546% change) linmin: converged after 3 iterations. iteration 29: trace = 6.708921851719259 (0.000265388% change) linmin: converged after 3 iterations. iteration 30: trace = 6.708911469458197 (0.000154753% change) linmin: converged after 4 iterations. iteration 31: trace = 6.70890382172838 (0.000113994% change) linmin: converged after 3 iterations. iteration 32: trace = 6.708893718526304 (0.000150594% change) linmin: converged after 3 iterations. iteration 33: trace = 6.708883945393598 (0.000145674% change) linmin: converged after 3 iterations. iteration 34: trace = 6.708879440618364 (6.71464e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.70887148922375 (0.000118521% change) linmin: converged after 4 iterations. iteration 36: trace = 6.708866031276438 (8.13542e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.708863197039666 (4.22461e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.708860829014249 (3.5297e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 6.708858447965409 (3.54911e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.70885699851949 (2.1605e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.708854902078135 (3.12489e-05% change) linmin: converged after 5 iterations. iteration 42: trace = 6.708852610157979 (3.41626e-05% change) linmin: converged after 7 iterations. iteration 43: trace = 6.708851929415184 (1.01469e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.708851237626785 (1.03116e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.70885027561984 (1.43394e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.708849646388729 (9.37912e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.708848882347832 (1.13886e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.708848312891008 (8.48815e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.708847879057657 (6.46658e-06% change) linmin: converged after 4 iterations. iteration 50: trace = 6.708847658500213 (3.28756e-06% change) large trace change predicted (7.00998e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.708847188193878 (7.01024e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.708846832260756 (5.30543e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.708846619290997 (3.17446e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.708846387823803 (3.45018e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 6.708846177703117 (3.13199e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 6.708846099890919 (1.15984e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.708845988799521 (1.65589e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 6.708845926155869 (9.33747e-07% change) linmin: converged after 4 iterations. iteration 59: trace = 6.708845871850761 (8.09455e-07% change) linmin: converged after 3 iterations. iteration 60: trace = 6.708845822809999 (7.30987e-07% change) linmin: converged after 13 iterations. iteration 61: trace = 6.708845760356785 (9.30908e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 6.708845743003738 (2.58659e-07% change) linmin: converged after 6 iterations. iteration 63: trace = 6.708845724909576 (2.69706e-07% change) linmin: converged after 7 iterations. iteration 64: trace = 6.708845702105168 (3.39916e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 6.708845680327379 (3.24613e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 6.708845664241937 (2.39765e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.708845650777155 (2.00702e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.70884564540356 (8.00972e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 6.708845642040083 (5.0135e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.708845640023133 (3.0064e-08% change) linmin: converged after 6 iterations. iteration 71: trace = 6.708845637674435 (3.5009e-08% change) linmin: converged after 7 iterations. iteration 72: trace = 6.708845634535178 (4.67928e-08% change) linmin: converged after 4 iterations. iteration 73: trace = 6.708845632986879 (2.30785e-08% change) linmin: converged after 5 iterations. iteration 74: trace = 6.708845630875833 (3.14666e-08% change) linmin: converged after 5 iterations. iteration 75: trace = 6.708845629670519 (1.7966e-08% change) linmin: converged after 6 iterations. iteration 76: trace = 6.708845628753616 (1.36671e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.70884562822794 (7.83556e-09% change) large trace change predicted (2.48466e-08%) linmin: converged after 23 iterations. iteration 78: trace = 6.708845626561008 (2.48468e-08% change) linmin: converged after 9 iterations. iteration 79: trace = 6.708845625403148 (1.72587e-08% change) linmin: converged after 4 iterations. iteration 80: trace = 6.70884562479595 (9.05071e-09% change) linmin: converged after 3 iterations. iteration 81: trace = 6.708845624335575 (6.86222e-09% change) linmin: converged after 5 iterations. iteration 82: trace = 6.708845623794146 (8.07036e-09% change) linmin: converged after 6 iterations. iteration 83: trace = 6.708845623391334 (6.00419e-09% change) linmin: converged after 18 iterations. iteration 84: trace = 6.708845623153671 (3.54254e-09% change) linmin: converged after 4 iterations. iteration 85: trace = 6.708845622824374 (4.90841e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.708845622521746 (4.51087e-09% change) linmin: converged after 5 iterations. iteration 87: trace = 6.708845622386532 (2.01547e-09% change) linmin: converged after 3 iterations. iteration 88: trace = 6.708845622195872 (2.84192e-09% change) linmin: converged after 13 iterations. iteration 89: trace = 6.70884562208354 (1.67439e-09% change) linmin: converged after 18 iterations. iteration 90: trace = 6.708845622026524 (8.49859e-10% change) linmin: converged after 4 iterations. iteration 91: trace = 6.70884562197662 (7.43855e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 6.708845621907461 (1.03086e-09% change) linmin: converged after 4 iterations. iteration 93: trace = 6.708845621861144 (6.90383e-10% change) linmin: converged after 2 iterations. iteration 94: trace = 6.708845621839582 (3.21401e-10% change) linmin: converged after 7 iterations. iteration 95: trace = 6.708845621811404 (4.20005e-10% change) linmin: converged after 20 iterations. iteration 96: trace = 6.708845621769485 (6.24837e-10% change) linmin: converged after 2 iterations. iteration 97: trace = 6.708845621745693 (3.54631e-10% change) linmin: converged after 9 iterations. iteration 98: trace = 6.708845621735803 (1.47429e-10% change) linmin: converged after 3 iterations. iteration 99: trace = 6.708845621726293 (1.41749e-10% change) linmin: converged after 6 iterations. iteration 100: trace = 6.708845621714833 (1.70822e-10% change) linmin: converged after 16 iterations. iteration 101: trace = 6.708845621703096 (1.74939e-10% change) linmin: converged after 2 iterations. iteration 102: trace = 6.708845621696623 (9.64852e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 elapsed time for k point: 1.0392184257507324 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.789698402540012 (0.215823% change) linmin: converged after 4 iterations. iteration 2: trace = 6.777922809184626 (0.173584% change) linmin: converged after 4 iterations. iteration 3: trace = 6.769206232693758 (0.128685% change) linmin: converged after 4 iterations. iteration 4: trace = 6.76325344397442 (0.0879779% change) linmin: converged after 4 iterations. iteration 5: trace = 6.760899822538645 (0.0348062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.758681340451685 (0.0328188% change) linmin: converged after 3 iterations. iteration 7: trace = 6.757086578769755 (0.0235985% change) linmin: converged after 4 iterations. iteration 8: trace = 6.75583213723433 (0.0185666% change) linmin: converged after 3 iterations. iteration 9: trace = 6.754118420493429 (0.0253697% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751749024984656 (0.0350869% change) linmin: converged after 3 iterations. iteration 11: trace = 6.749302777868128 (0.0362379% change) linmin: converged after 3 iterations. iteration 12: trace = 6.748516468829814 (0.0116509% change) linmin: converged after 4 iterations. iteration 13: trace = 6.747249192728425 (0.0187804% change) linmin: converged after 3 iterations. iteration 14: trace = 6.746632657937885 (0.00913799% change) linmin: converged after 4 iterations. iteration 15: trace = 6.745834648382977 (0.011829% change) linmin: converged after 3 iterations. iteration 16: trace = 6.745082859682247 (0.0111451% change) linmin: converged after 3 iterations. iteration 17: trace = 6.743977423369205 (0.0163901% change) linmin: converged after 3 iterations. iteration 18: trace = 6.743390498642494 (0.00870332% change) linmin: converged after 4 iterations. iteration 19: trace = 6.743072725681261 (0.00471247% change) linmin: converged after 3 iterations. iteration 20: trace = 6.74271595156103 (0.00529111% change) linmin: converged after 4 iterations. iteration 21: trace = 6.742464067615607 (0.00373571% change) linmin: converged after 3 iterations. iteration 22: trace = 6.742330442516543 (0.00198186% change) linmin: converged after 3 iterations. iteration 23: trace = 6.742122757347128 (0.00308036% change) linmin: converged after 3 iterations. iteration 24: trace = 6.742003824595118 (0.00176404% change) linmin: converged after 3 iterations. iteration 25: trace = 6.741881004987275 (0.00182172% change) linmin: converged after 3 iterations. iteration 26: trace = 6.741788398443999 (0.00137361% change) linmin: converged after 3 iterations. iteration 27: trace = 6.741624598216273 (0.00242966% change) linmin: converged after 3 iterations. iteration 28: trace = 6.741503235165387 (0.00180022% change) linmin: converged after 3 iterations. iteration 29: trace = 6.741388464304385 (0.00170247% change) linmin: converged after 4 iterations. iteration 30: trace = 6.741262264289297 (0.00187204% change) linmin: converged after 5 iterations. iteration 31: trace = 6.741141889768689 (0.00178565% change) linmin: converged after 3 iterations. iteration 32: trace = 6.741091944003339 (0.000740912% change) large trace change predicted (0.00157116%) linmin: converged after 3 iterations. iteration 33: trace = 6.740986066559797 (0.00157064% change) linmin: converged after 3 iterations. iteration 34: trace = 6.740890541670522 (0.00141709% change) linmin: converged after 3 iterations. iteration 35: trace = 6.7408213747181 (0.00102609% change) linmin: converged after 3 iterations. iteration 36: trace = 6.740737624556463 (0.00124244% change) linmin: converged after 3 iterations. iteration 37: trace = 6.740661829510442 (0.00112444% change) linmin: converged after 3 iterations. iteration 38: trace = 6.740629883340712 (0.000473933% change) linmin: converged after 3 iterations. iteration 39: trace = 6.740602082550813 (0.000412437% change) linmin: converged after 3 iterations. iteration 40: trace = 6.740570553168162 (0.000467754% change) linmin: converged after 7 iterations. iteration 41: trace = 6.74053612837471 (0.000510712% change) linmin: converged after 4 iterations. iteration 42: trace = 6.740511929686533 (0.000359003% change) linmin: converged after 5 iterations. iteration 43: trace = 6.740477773353071 (0.000506733% change) linmin: converged after 3 iterations. iteration 44: trace = 6.740464321378628 (0.00019957% change) linmin: converged after 4 iterations. iteration 45: trace = 6.740454926780418 (0.000139376% change) linmin: converged after 3 iterations. iteration 46: trace = 6.74044291111251 (0.000178262% change) linmin: converged after 3 iterations. iteration 47: trace = 6.74043321663761 (0.000143826% change) linmin: converged after 3 iterations. iteration 48: trace = 6.740427223431901 (8.89143e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.740422385872732 (7.17694e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 6.740416728690716 (8.39292e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 6.740414143557759 (3.83527e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 6.740411995084093 (3.18745e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.740409269342337 (4.04388e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 6.740406804496367 (3.65682e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.740405527571734 (1.89443e-05% change) linmin: converged after 4 iterations. iteration 56: trace = 6.740404266827904 (1.87043e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.740403728311245 (7.98938e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 6.740403437939013 (4.30794e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 6.740402943742991 (7.33185e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.740402141544934 (1.19013e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 6.740401774224003 (5.44954e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.740401383616216 (5.79502e-06% change) linmin: converged after 4 iterations. iteration 63: trace = 6.740401213266169 (2.5273e-06% change) linmin: converged after 3 iterations. iteration 64: trace = 6.740401083251827 (1.92888e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.740400960788135 (1.81686e-06% change) linmin: converged after 5 iterations. iteration 66: trace = 6.740400775678938 (2.74626e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 6.740400708064454 (1.00312e-06% change) linmin: converged after 2 iterations. iteration 68: trace = 6.7404006600371 (7.1253e-07% change) linmin: converged after 3 iterations. iteration 69: trace = 6.740400622536338 (5.56358e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.740400603098549 (2.88377e-07% change) linmin: converged after 5 iterations. iteration 71: trace = 6.740400587214242 (2.35658e-07% change) linmin: converged after 3 iterations. iteration 72: trace = 6.740400563938179 (3.45322e-07% change) linmin: converged after 7 iterations. iteration 73: trace = 6.740400533808574 (4.47e-07% change) linmin: converged after 15 iterations. iteration 74: trace = 6.740400521523085 (1.82266e-07% change) linmin: converged after 15 iterations. iteration 75: trace = 6.740400502324264 (2.84832e-07% change) linmin: converged after 7 iterations. iteration 76: trace = 6.740400485755293 (2.45816e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 6.740400468326008 (2.58579e-07% change) linmin: converged after 2 iterations. iteration 78: trace = 6.740400451024832 (2.56679e-07% change) linmin: converged after 25 iterations. iteration 79: trace = 6.740400430657317 (3.02171e-07% change) linmin: converged after 4 iterations. iteration 80: trace = 6.74040041960462 (1.63977e-07% change) linmin: converged after 3 iterations. iteration 81: trace = 6.740400411507297 (1.20131e-07% change) linmin: converged after 4 iterations. iteration 82: trace = 6.740400400768515 (1.5932e-07% change) linmin: converged after 5 iterations. iteration 83: trace = 6.740400386871048 (2.06182e-07% change) linmin: converged after 3 iterations. iteration 84: trace = 6.740400376262158 (1.57393e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 6.740400359182829 (2.53387e-07% change) linmin: converged after 10 iterations. iteration 86: trace = 6.740400345748313 (1.99313e-07% change) linmin: converged after 10 iterations. iteration 87: trace = 6.740400338468786 (1.07998e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 6.740400333643256 (7.15911e-08% change) linmin: converged after 8 iterations. iteration 89: trace = 6.740400326301053 (1.08928e-07% change) linmin: converged after 2 iterations. iteration 90: trace = 6.74040031633631 (1.47836e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.740400308681972 (1.13559e-07% change) linmin: converged after 10 iterations. iteration 92: trace = 6.74040030005929 (1.27925e-07% change) linmin: converged after 5 iterations. iteration 93: trace = 6.740400294142137 (8.77864e-08% change) linmin: converged after 8 iterations. iteration 94: trace = 6.740400290939562 (4.75131e-08% change) linmin: converged after 6 iterations. iteration 95: trace = 6.740400289529115 (2.09253e-08% change) large trace change predicted (5.32799e-08%) linmin: converged after 3 iterations. iteration 96: trace = 6.740400285937808 (5.32803e-08% change) linmin: converged after 7 iterations. iteration 97: trace = 6.740400283463555 (3.67078e-08% change) linmin: converged after 4 iterations. iteration 98: trace = 6.740400281359919 (3.12094e-08% change) linmin: converged after 18 iterations. iteration 99: trace = 6.740400280453484 (1.34478e-08% change) linmin: converged after 7 iterations. iteration 100: trace = 6.740400279643643 (1.20147e-08% change) linmin: converged after 4 iterations. iteration 101: trace = 6.740400278718579 (1.37242e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.740400277875298 (1.25108e-08% change) linmin: converged after 9 iterations. iteration 103: trace = 6.740400277061934 (1.2067e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.740400276406529 (9.72354e-09% change) linmin: converged after 7 iterations. iteration 105: trace = 6.74040027574557 (9.80594e-09% change) linmin: converged after 4 iterations. iteration 106: trace = 6.74040027537741 (5.46199e-09% change) linmin: converged after 18 iterations. iteration 107: trace = 6.740400275190824 (2.76817e-09% change) linmin: converged after 17 iterations. iteration 108: trace = 6.740400275002443 (2.7948e-09% change) linmin: converged after 5 iterations. iteration 109: trace = 6.740400274841483 (2.38799e-09% change) linmin: converged after 4 iterations. iteration 110: trace = 6.740400274671768 (2.51788e-09% change) linmin: converged after 2 iterations. iteration 111: trace = 6.740400274625507 (6.86321e-10% change) linmin: converged after 4 iterations. iteration 112: trace = 6.740400274539467 (1.27649e-09% change) linmin: converged after 4 iterations. iteration 113: trace = 6.740400274488167 (7.61087e-10% change) linmin: converged after 21 iterations. iteration 114: trace = 6.740400274429472 (8.70785e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 6.740400274391492 (5.63472e-10% change) linmin: converged after 5 iterations. iteration 116: trace = 6.740400274344982 (6.9001e-10% change) linmin: converged after 4 iterations. iteration 117: trace = 6.740400274310222 (5.15706e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 6.74040027429874 (1.70338e-10% change) large trace change predicted (3.6214e-10%) linmin: converged after 10 iterations. iteration 119: trace = 6.740400274274326 (3.62208e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 6.740400274257132 (2.55092e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 6.740400274245594 (1.71168e-10% change) linmin: converged after 9 iterations. iteration 122: trace = 6.740400274235709 (1.46659e-10% change) linmin: converged after 7 iterations. iteration 123: trace = 6.740400274229645 (8.9959e-11% change) Finished solving for bands 1 to 8 after 123 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 elapsed time for k point: 1.3273236751556396 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.787868941618761 (0.213565% change) linmin: converged after 3 iterations. iteration 2: trace = 6.776022098480381 (0.174682% change) linmin: converged after 3 iterations. iteration 3: trace = 6.76992906661587 (0.0899609% change) linmin: converged after 4 iterations. iteration 4: trace = 6.767085857494177 (0.0420064% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765298901818625 (0.0264101% change) linmin: converged after 3 iterations. iteration 6: trace = 6.763340700372273 (0.028949% change) linmin: converged after 4 iterations. iteration 7: trace = 6.760043700357894 (0.04876% change) linmin: converged after 4 iterations. iteration 8: trace = 6.757627087966904 (0.0357549% change) linmin: converged after 4 iterations. iteration 9: trace = 6.754119981759141 (0.051912% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751635252414195 (0.0367951% change) linmin: converged after 4 iterations. iteration 11: trace = 6.749275853760886 (0.0349517% change) linmin: converged after 4 iterations. iteration 12: trace = 6.748513930768448 (0.0112896% change) large trace change predicted (0.0342017%) linmin: converged after 3 iterations. iteration 13: trace = 6.74618277875398 (0.0345492% change) linmin: converged after 3 iterations. iteration 14: trace = 6.744300917410761 (0.0278991% change) linmin: converged after 3 iterations. iteration 15: trace = 6.742003501068925 (0.0340704% change) linmin: converged after 3 iterations. iteration 16: trace = 6.740281226318531 (0.0255487% change) linmin: converged after 3 iterations. iteration 17: trace = 6.739215712577741 (0.0158094% change) linmin: converged after 4 iterations. iteration 18: trace = 6.738862119498992 (0.00524694% change) linmin: converged after 3 iterations. iteration 19: trace = 6.738332341719693 (0.00786184% change) linmin: converged after 3 iterations. iteration 20: trace = 6.73762597786491 (0.0104833% change) linmin: converged after 3 iterations. iteration 21: trace = 6.737211476994393 (0.00615222% change) linmin: converged after 3 iterations. iteration 22: trace = 6.736596718922851 (0.00912523% change) linmin: converged after 3 iterations. iteration 23: trace = 6.736116020675262 (0.00713588% change) linmin: converged after 4 iterations. iteration 24: trace = 6.735569722372651 (0.00811032% change) linmin: converged after 3 iterations. iteration 25: trace = 6.735310736074355 (0.00384513% change) linmin: converged after 3 iterations. iteration 26: trace = 6.734879752491319 (0.00639907% change) linmin: converged after 4 iterations. iteration 27: trace = 6.734393252444057 (0.00722385% change) linmin: converged after 3 iterations. iteration 28: trace = 6.733901766968647 (0.00729841% change) linmin: converged after 3 iterations. iteration 29: trace = 6.733209908076175 (0.0102748% change) linmin: converged after 6 iterations. iteration 30: trace = 6.732349668676493 (0.0127769% change) linmin: converged after 4 iterations. iteration 31: trace = 6.731921925214846 (0.00635376% change) linmin: converged after 3 iterations. iteration 32: trace = 6.73146116644943 (0.00684462% change) linmin: converged after 3 iterations. iteration 33: trace = 6.731024321106626 (0.00648982% change) linmin: converged after 3 iterations. iteration 34: trace = 6.730758298578559 (0.00395226% change) linmin: converged after 3 iterations. iteration 35: trace = 6.730487930056411 (0.00401699% change) linmin: converged after 3 iterations. iteration 36: trace = 6.730155608346905 (0.00493768% change) linmin: converged after 3 iterations. iteration 37: trace = 6.729721105743319 (0.00645626% change) linmin: converged after 5 iterations. iteration 38: trace = 6.729527833788968 (0.00287196% change) linmin: converged after 3 iterations. iteration 39: trace = 6.729325309272428 (0.00300954% change) linmin: converged after 4 iterations. iteration 40: trace = 6.729238825161824 (0.00128519% change) linmin: converged after 3 iterations. iteration 41: trace = 6.729183790569028 (0.000817846% change) linmin: converged after 4 iterations. iteration 42: trace = 6.729120122972619 (0.000946146% change) linmin: converged after 3 iterations. iteration 43: trace = 6.729017043899399 (0.00153185% change) linmin: converged after 3 iterations. iteration 44: trace = 6.728962331353364 (0.000813087% change) linmin: converged after 3 iterations. iteration 45: trace = 6.728906726607305 (0.000826353% change) linmin: converged after 3 iterations. iteration 46: trace = 6.7288674966053 (0.000583009% change) linmin: converged after 3 iterations. iteration 47: trace = 6.728848431854964 (0.000283328% change) linmin: converged after 3 iterations. iteration 48: trace = 6.728839597388681 (0.000131292% change) linmin: converged after 4 iterations. iteration 49: trace = 6.728828037458575 (0.000171797% change) linmin: converged after 5 iterations. iteration 50: trace = 6.728815695933926 (0.000183413% change) linmin: converged after 4 iterations. iteration 51: trace = 6.728808306215958 (0.000109822% change) linmin: converged after 3 iterations. iteration 52: trace = 6.728797313712378 (0.000163365% change) linmin: converged after 3 iterations. iteration 53: trace = 6.728790324696873 (0.000103867% change) linmin: converged after 5 iterations. iteration 54: trace = 6.728785445280219 (7.25155e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.728781936304378 (5.21487e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.728777421827271 (6.70921e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.728774456663765 (4.40669e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.728770671165874 (5.62584e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.728766385179979 (6.36964e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.728759704126928 (9.9291e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 6.728756010862691 (5.48878e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 6.728751331413709 (6.95441e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.728747964603276 (5.00362e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.728746081765632 (2.7982e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.728743718559665 (3.51211e-05% change) linmin: converged after 7 iterations. iteration 66: trace = 6.728741219483796 (3.71403e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 6.728737884044169 (4.95701e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 6.728735364386599 (3.74462e-05% change) linmin: converged after 7 iterations. iteration 69: trace = 6.728731339106885 (5.98223e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.728730345702195 (1.47636e-05% change) linmin: converged after 3 iterations. iteration 71: trace = 6.728729609107984 (1.0947e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.728728724223193 (1.31508e-05% change) linmin: converged after 4 iterations. iteration 73: trace = 6.728727748843896 (1.44957e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 6.728727117814104 (9.37814e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.728726358653099 (1.12824e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 6.72872554741707 (1.20563e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 6.72872509030366 (6.79346e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.728724367522501 (1.07417e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 6.72872358826846 (1.1581e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 6.728722668986204 (1.36621e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 6.728722087340357 (8.64422e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 6.728721147171524 (1.39725e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 6.728720480061222 (9.91437e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.728720022561202 (6.79921e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.728719590887069 (6.4154e-06% change) linmin: converged after 3 iterations. iteration 86: trace = 6.728719153441071 (6.50118e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.728718340009831 (1.20889e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.72871740899841 (1.38364e-05% change) linmin: converged after 4 iterations. iteration 89: trace = 6.728717035071343 (5.55718e-06% change) linmin: converged after 5 iterations. iteration 90: trace = 6.728716494418849 (8.035e-06% change) linmin: converged after 3 iterations. iteration 91: trace = 6.728716174161589 (4.75956e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 6.72871587428043 (4.45674e-06% change) linmin: converged after 11 iterations. iteration 93: trace = 6.72871560798205 (3.95764e-06% change) large trace change predicted (1.12239e-05%) linmin: converged after 5 iterations. iteration 94: trace = 6.728714852607432 (1.12261e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 6.728714143438846 (1.05394e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 6.728713790549917 (5.24452e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.728713564804392 (3.35496e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 6.728713374895941 (2.82236e-06% change) linmin: converged after 2 iterations. iteration 99: trace = 6.728713158701467 (3.21301e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 6.728713034439581 (1.84674e-06% change) large trace change predicted (4.58133e-06%) linmin: converged after 10 iterations. iteration 101: trace = 6.72871272617565 (4.58132e-06% change) linmin: converged after 5 iterations. iteration 102: trace = 6.728712545133647 (2.69059e-06% change) linmin: converged after 3 iterations. iteration 103: trace = 6.72871245663579 (1.31523e-06% change) linmin: converged after 5 iterations. iteration 104: trace = 6.728712395632627 (9.0661e-07% change) linmin: converged after 18 iterations. iteration 105: trace = 6.728712336928318 (8.72445e-07% change) linmin: converged after 2 iterations. iteration 106: trace = 6.728712234813192 (1.5176e-06% change) linmin: converged after 18 iterations. iteration 107: trace = 6.728712175414977 (8.82758e-07% change) linmin: converged after 5 iterations. iteration 108: trace = 6.728712079897969 (1.41954e-06% change) linmin: converged after 4 iterations. iteration 109: trace = 6.728712039127421 (6.05919e-07% change) linmin: converged after 4 iterations. iteration 110: trace = 6.728712017364623 (3.23432e-07% change) linmin: converged after 3 iterations. iteration 111: trace = 6.728711999663398 (2.6307e-07% change) linmin: converged after 4 iterations. iteration 112: trace = 6.728711988199205 (1.70377e-07% change) large trace change predicted (5.35313e-07%) linmin: converged after 4 iterations. iteration 113: trace = 6.728711952180902 (5.35293e-07% change) linmin: converged after 3 iterations. iteration 114: trace = 6.728711934350375 (2.64992e-07% change) linmin: converged after 9 iterations. iteration 115: trace = 6.728711913892715 (3.04035e-07% change) linmin: converged after 4 iterations. iteration 116: trace = 6.728711900894777 (1.93171e-07% change) linmin: converged after 8 iterations. iteration 117: trace = 6.728711892057472 (1.31337e-07% change) linmin: converged after 6 iterations. iteration 118: trace = 6.728711886381656 (8.43522e-08% change) linmin: converged after 9 iterations. iteration 119: trace = 6.728711875162885 (1.6673e-07% change) linmin: converged after 7 iterations. iteration 120: trace = 6.728711860792624 (2.13566e-07% change) linmin: converged after 2 iterations. iteration 121: trace = 6.728711852035588 (1.30144e-07% change) linmin: converged after 4 iterations. iteration 122: trace = 6.728711846069638 (8.86641e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 6.72871184011905 (8.84358e-08% change) linmin: converged after 4 iterations. iteration 124: trace = 6.728711834492496 (8.36201e-08% change) linmin: converged after 14 iterations. iteration 125: trace = 6.728711831295445 (4.75136e-08% change) large trace change predicted (1.17141e-07%) linmin: converged after 5 iterations. iteration 126: trace = 6.728711823413446 (1.1714e-07% change) linmin: converged after 9 iterations. iteration 127: trace = 6.728711817748645 (8.41885e-08% change) linmin: converged after 18 iterations. iteration 128: trace = 6.728711814569593 (4.72461e-08% change) linmin: converged after 4 iterations. iteration 129: trace = 6.728711812211834 (3.50403e-08% change) large trace change predicted (8.45552e-08%) linmin: converged after 4 iterations. iteration 130: trace = 6.728711806522409 (8.45544e-08% change) large trace change predicted (2.29726e-07%) linmin: converged after 5 iterations. iteration 131: trace = 6.728711791065719 (2.29712e-07% change) linmin: converged after 4 iterations. iteration 132: trace = 6.728711774760903 (2.42317e-07% change) linmin: converged after 4 iterations. iteration 133: trace = 6.728711761604093 (1.95532e-07% change) linmin: converged after 4 iterations. iteration 134: trace = 6.728711750597898 (1.63571e-07% change) large trace change predicted (4.60699e-07%) linmin: converged after 10 iterations. iteration 135: trace = 6.728711719599451 (4.60689e-07% change) linmin: converged after 2 iterations. iteration 136: trace = 6.728711660575756 (8.77192e-07% change) large trace change predicted (2.08552e-06%) linmin: converged after 4 iterations. iteration 137: trace = 6.728711520211803 (2.08605e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 138: trace = 6.728465052028371 (0.003663% change) linmin: converged after 5 iterations. iteration 139: trace = 6.728464202183762 (1.26306e-05% change) resetting CG direction... large trace change predicted (0.0184248%) linmin: converged after 4 iterations. iteration 140: trace = 6.727225670170559 (0.018409% change) linmin: converged after 4 iterations. iteration 141: trace = 6.726387590530656 (0.0124588% change) linmin: converged after 3 iterations. iteration 142: trace = 6.725680184433979 (0.0105174% change) linmin: converged after 4 iterations. iteration 143: trace = 6.724746201346508 (0.0138878% change) linmin: converged after 7 iterations. iteration 144: trace = 6.724256167612527 (0.00728729% change) large trace change predicted (0.0177432%) linmin: converged after 3 iterations. iteration 145: trace = 6.723058136479112 (0.0178181% change) linmin: converged after 3 iterations. iteration 146: trace = 6.721590996713515 (0.0218249% change) linmin: converged after 3 iterations. iteration 147: trace = 6.720496417550089 (0.0162859% change) linmin: converged after 14 iterations. iteration 148: trace = 6.720120980306572 (0.00558661% change) linmin: converged after 3 iterations. iteration 149: trace = 6.719629682860772 (0.00731111% change) linmin: converged after 3 iterations. iteration 150: trace = 6.719110763872809 (0.00772273% change) linmin: converged after 4 iterations. iteration 151: trace = 6.718622998640353 (0.00725964% change) linmin: converged after 4 iterations. iteration 152: trace = 6.717873329396619 (0.0111587% change) linmin: converged after 4 iterations. iteration 153: trace = 6.717203357534577 (0.00997347% change) linmin: converged after 4 iterations. iteration 154: trace = 6.716425495957477 (0.0115808% change) linmin: converged after 3 iterations. iteration 155: trace = 6.716037014926792 (0.00578421% change) linmin: converged after 4 iterations. iteration 156: trace = 6.715270861601974 (0.0114085% change) linmin: converged after 3 iterations. iteration 157: trace = 6.714234395327811 (0.0154357% change) linmin: converged after 4 iterations. iteration 158: trace = 6.713314192592557 (0.0137062% change) linmin: converged after 3 iterations. iteration 159: trace = 6.711854503131645 (0.0217456% change) linmin: converged after 5 iterations. iteration 160: trace = 6.709898602357587 (0.0291452% change) linmin: converged after 4 iterations. iteration 161: trace = 6.707657310593067 (0.0334083% change) linmin: converged after 4 iterations. iteration 162: trace = 6.70652710815731 (0.0168509% change) linmin: converged after 4 iterations. iteration 163: trace = 6.704294987753909 (0.0332883% change) linmin: converged after 6 iterations. iteration 164: trace = 6.702317773522212 (0.0294961% change) linmin: converged after 5 iterations. iteration 165: trace = 6.699271102363946 (0.0454673% change) linmin: converged after 5 iterations. iteration 166: trace = 6.695290056097197 (0.0594427% change) linmin: converged after 7 iterations. iteration 167: trace = 6.691518722870164 (0.056344% change) linmin: converged after 5 iterations. iteration 168: trace = 6.687850703536997 (0.054831% change) linmin: converged after 4 iterations. iteration 169: trace = 6.685975389033564 (0.0280445% change) linmin: converged after 4 iterations. iteration 170: trace = 6.684721883185482 (0.01875% change) linmin: converged after 4 iterations. iteration 171: trace = 6.683252265551213 (0.0219871% change) linmin: converged after 3 iterations. iteration 172: trace = 6.682221944554534 (0.0154176% change) linmin: converged after 3 iterations. iteration 173: trace = 6.681419790185795 (0.012005% change) linmin: converged after 4 iterations. iteration 174: trace = 6.68015895408827 (0.0188726% change) linmin: converged after 4 iterations. iteration 175: trace = 6.678688261946259 (0.0220182% change) linmin: converged after 4 iterations. iteration 176: trace = 6.677398674762745 (0.0193109% change) linmin: converged after 4 iterations. iteration 177: trace = 6.675743896738738 (0.0247848% change) linmin: converged after 4 iterations. iteration 178: trace = 6.673850196175163 (0.0283709% change) linmin: converged after 4 iterations. iteration 179: trace = 6.672013635763772 (0.0275225% change) linmin: converged after 4 iterations. iteration 180: trace = 6.670262185606556 (0.0262541% change) linmin: converged after 4 iterations. iteration 181: trace = 6.669026805118524 (0.0185224% change) linmin: converged after 5 iterations. iteration 182: trace = 6.668049543301572 (0.0146548% change) linmin: converged after 4 iterations. iteration 183: trace = 6.666906768726656 (0.0171395% change) linmin: converged after 5 iterations. iteration 184: trace = 6.665999390113961 (0.0136111% change) linmin: converged after 3 iterations. iteration 185: trace = 6.665499340640187 (0.00750177% change) linmin: converged after 4 iterations. iteration 186: trace = 6.665024495688508 (0.00712418% change) linmin: converged after 3 iterations. iteration 187: trace = 6.664418224479248 (0.00909672% change) linmin: converged after 7 iterations. iteration 188: trace = 6.663924294348037 (0.00741173% change) linmin: converged after 3 iterations. iteration 189: trace = 6.663518663923695 (0.00608715% change) linmin: converged after 3 iterations. iteration 190: trace = 6.663009199644129 (0.00764587% change) linmin: converged after 5 iterations. iteration 191: trace = 6.662347801470429 (0.00992691% change) linmin: converged after 4 iterations. iteration 192: trace = 6.661524813297024 (0.0123536% change) linmin: converged after 4 iterations. iteration 193: trace = 6.660609132042394 (0.0137468% change) linmin: converged after 4 iterations. iteration 194: trace = 6.659930512179589 (0.0101891% change) linmin: converged after 6 iterations. iteration 195: trace = 6.659423967212249 (0.00760615% change) linmin: converged after 5 iterations. iteration 196: trace = 6.658845882317971 (0.00868108% change) linmin: converged after 3 iterations. iteration 197: trace = 6.65833465823114 (0.00767766% change) linmin: converged after 3 iterations. iteration 198: trace = 6.658045818890158 (0.00433811% change) linmin: converged after 3 iterations. iteration 199: trace = 6.657814669536256 (0.00347179% change) linmin: converged after 4 iterations. iteration 200: trace = 6.657518703428868 (0.00444549% change) linmin: converged after 3 iterations. iteration 201: trace = 6.65721478112431 (0.0045652% change) linmin: converged after 5 iterations. iteration 202: trace = 6.656933532200783 (0.00422481% change) linmin: converged after 3 iterations. iteration 203: trace = 6.656587843600366 (0.00519305% change) linmin: converged after 4 iterations. iteration 204: trace = 6.656175076130328 (0.00620108% change) linmin: converged after 3 iterations. iteration 205: trace = 6.655736760430188 (0.00658532% change) linmin: converged after 3 iterations. iteration 206: trace = 6.655282372011525 (0.00682725% change) linmin: converged after 3 iterations. iteration 207: trace = 6.654934601432212 (0.00522562% change) linmin: converged after 3 iterations. iteration 208: trace = 6.654678151045698 (0.00385361% change) linmin: converged after 3 iterations. iteration 209: trace = 6.654370645668481 (0.004621% change) resetting CG direction... large trace change predicted (0.00953096%) linmin: converged after 3 iterations. iteration 210: trace = 6.653734021942329 (0.00956746% change) linmin: converged after 4 iterations. iteration 211: trace = 6.652971331034476 (0.0114633% change) linmin: converged after 4 iterations. iteration 212: trace = 6.652002827476375 (0.0145585% change) linmin: converged after 3 iterations. iteration 213: trace = 6.651286209350241 (0.0107735% change) linmin: converged after 5 iterations. iteration 214: trace = 6.650837271835792 (0.00674986% change) large trace change predicted (0.0193391%) linmin: converged after 3 iterations. iteration 215: trace = 6.649539474461997 (0.0195152% change) linmin: converged after 3 iterations. iteration 216: trace = 6.648510083372565 (0.0154818% change) linmin: converged after 3 iterations. iteration 217: trace = 6.647980339916255 (0.00796817% change) linmin: converged after 3 iterations. iteration 218: trace = 6.647615451110134 (0.00548887% change) linmin: converged after 3 iterations. iteration 219: trace = 6.647091317934905 (0.00788484% change) linmin: converged after 4 iterations. iteration 220: trace = 6.646422541909829 (0.0100617% change) linmin: converged after 4 iterations. iteration 221: trace = 6.645551228482385 (0.0131104% change) linmin: converged after 3 iterations. iteration 222: trace = 6.644472138878054 (0.0162391% change) linmin: converged after 3 iterations. iteration 223: trace = 6.644009893870725 (0.00695708% change) linmin: converged after 4 iterations. iteration 224: trace = 6.643710157708425 (0.00451148% change) linmin: converged after 4 iterations. iteration 225: trace = 6.643375303506406 (0.0050403% change) linmin: converged after 4 iterations. iteration 226: trace = 6.64275621234844 (0.00931936% change) linmin: converged after 3 iterations. iteration 227: trace = 6.642363878543177 (0.00590636% change) linmin: converged after 4 iterations. iteration 228: trace = 6.641680994332497 (0.0102813% change) linmin: converged after 4 iterations. iteration 229: trace = 6.641114758871316 (0.00852585% change) linmin: converged after 3 iterations. iteration 230: trace = 6.64071368687978 (0.00603941% change) linmin: converged after 7 iterations. iteration 231: trace = 6.640434090562495 (0.00421042% change) linmin: converged after 5 iterations. iteration 232: trace = 6.640119211598217 (0.00474196% change) linmin: converged after 6 iterations. iteration 233: trace = 6.639902046612212 (0.00327055% change) linmin: converged after 4 iterations. iteration 234: trace = 6.63957501130691 (0.00492542% change) linmin: converged after 7 iterations. iteration 235: trace = 6.639325072147652 (0.00376446% change) linmin: converged after 4 iterations. iteration 236: trace = 6.639218484211825 (0.00160542% change) linmin: converged after 5 iterations. iteration 237: trace = 6.639148710078965 (0.00105094% change) linmin: converged after 6 iterations. iteration 238: trace = 6.639067895394519 (0.00121725% change) linmin: converged after 4 iterations. iteration 239: trace = 6.639016127198259 (0.000779754% change) linmin: converged after 4 iterations. iteration 240: trace = 6.638968472542567 (0.0007178% change) linmin: converged after 4 iterations. iteration 241: trace = 6.63889603719281 (0.00109107% change) linmin: converged after 7 iterations. iteration 242: trace = 6.638849856045798 (0.000695617% change) linmin: converged after 3 iterations. iteration 243: trace = 6.63881574346586 (0.000513834% change) linmin: converged after 8 iterations. iteration 244: trace = 6.638799478784 (0.000244994% change) linmin: converged after 3 iterations. iteration 245: trace = 6.638789010025883 (0.000157691% change) linmin: converged after 3 iterations. iteration 246: trace = 6.638782676455686 (9.54025e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 6.638771442919003 (0.000169211% change) linmin: converged after 5 iterations. iteration 248: trace = 6.63876396797207 (0.000112595% change) linmin: converged after 4 iterations. iteration 249: trace = 6.638757041238585 (0.000104338% change) linmin: converged after 4 iterations. iteration 250: trace = 6.63875181895463 (7.86636e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 6.638748272687267 (5.34177e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 6.638746723847516 (2.33303e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 6.638744550600101 (3.27358e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 6.638743112142956 (2.16676e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 6.638741274188764 (2.76853e-05% change) linmin: converged after 16 iterations. iteration 256: trace = 6.638739467298501 (2.72174e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 6.638738349202688 (1.6842e-05% change) linmin: converged after 6 iterations. iteration 258: trace = 6.638737835689367 (7.7351e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 6.638737218899633 (9.29077e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 6.638736854734873 (5.48545e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 6.63873627690166 (8.70396e-06% change) linmin: converged after 16 iterations. iteration 262: trace = 6.638735729089737 (8.25175e-06% change) linmin: converged after 4 iterations. iteration 263: trace = 6.6387352553989 (7.13526e-06% change) linmin: converged after 5 iterations. iteration 264: trace = 6.638735054672749 (3.02356e-06% change) linmin: converged after 5 iterations. iteration 265: trace = 6.638734869417193 (2.79052e-06% change) linmin: converged after 6 iterations. iteration 266: trace = 6.638734731754969 (2.07362e-06% change) linmin: converged after 16 iterations. iteration 267: trace = 6.638734628724432 (1.55196e-06% change) linmin: converged after 16 iterations. iteration 268: trace = 6.638734462768283 (2.49982e-06% change) linmin: converged after 16 iterations. iteration 269: trace = 6.638734304607528 (2.38239e-06% change) linmin: converged after 7 iterations. iteration 270: trace = 6.638734216530693 (1.32671e-06% change) linmin: converged after 5 iterations. iteration 271: trace = 6.638734134679857 (1.23293e-06% change) linmin: converged after 5 iterations. iteration 272: trace = 6.638734089154566 (6.85753e-07% change) linmin: converged after 6 iterations. iteration 273: trace = 6.638734054364789 (5.24042e-07% change) linmin: converged after 4 iterations. iteration 274: trace = 6.63873399397008 (9.09732e-07% change) linmin: converged after 7 iterations. iteration 275: trace = 6.638733923635748 (1.05945e-06% change) linmin: converged after 4 iterations. iteration 276: trace = 6.638733868929354 (8.24049e-07% change) linmin: converged after 8 iterations. iteration 277: trace = 6.638733816587413 (7.88433e-07% change) linmin: converged after 7 iterations. iteration 278: trace = 6.638733780054953 (5.50293e-07% change) linmin: converged after 5 iterations. iteration 279: trace = 6.638733762993164 (2.57004e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 6.638733753319537 (1.45715e-07% change) linmin: converged after 8 iterations. iteration 281: trace = 6.638733739343934 (2.10516e-07% change) linmin: converged after 4 iterations. iteration 282: trace = 6.638733714968705 (3.67167e-07% change) linmin: converged after 5 iterations. iteration 283: trace = 6.638733697635013 (2.61099e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 6.638733679257065 (2.76829e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 6.638733663313102 (2.40166e-07% change) linmin: converged after 5 iterations. iteration 286: trace = 6.638733649720824 (2.04742e-07% change) linmin: converged after 4 iterations. iteration 287: trace = 6.638733642397483 (1.10312e-07% change) large trace change predicted (3.06615e-07%) linmin: converged after 4 iterations. iteration 288: trace = 6.638733622042839 (3.06604e-07% change) linmin: converged after 11 iterations. iteration 289: trace = 6.638733598840012 (3.49507e-07% change) linmin: converged after 3 iterations. iteration 290: trace = 6.638733576526505 (3.36111e-07% change) linmin: converged after 5 iterations. iteration 291: trace = 6.638733563837013 (1.91143e-07% change) linmin: converged after 5 iterations. iteration 292: trace = 6.638733549820286 (2.11136e-07% change) linmin: converged after 4 iterations. iteration 293: trace = 6.638733541093235 (1.31457e-07% change) linmin: converged after 6 iterations. iteration 294: trace = 6.638733535467152 (8.47463e-08% change) linmin: converged after 3 iterations. iteration 295: trace = 6.638733526098875 (1.41115e-07% change) linmin: converged after 7 iterations. iteration 296: trace = 6.638733515386362 (1.61364e-07% change) linmin: converged after 5 iterations. iteration 297: trace = 6.638733504209687 (1.68356e-07% change) linmin: converged after 6 iterations. iteration 298: trace = 6.638733499493042 (7.10474e-08% change) linmin: converged after 6 iterations. iteration 299: trace = 6.638733493647839 (8.8047e-08% change) linmin: converged after 14 iterations. iteration 300: trace = 6.638733488792827 (7.31316e-08% change) linmin: converged after 22 iterations. iteration 301: trace = 6.638733482768131 (9.07507e-08% change) linmin: converged after 6 iterations. iteration 302: trace = 6.638733478266698 (6.78056e-08% change) linmin: converged after 4 iterations. iteration 303: trace = 6.638733471761608 (9.79869e-08% change) linmin: converged after 4 iterations. iteration 304: trace = 6.638733467798773 (5.96926e-08% change) linmin: converged after 4 iterations. iteration 305: trace = 6.638733466611077 (1.78904e-08% change) linmin: converged after 7 iterations. iteration 306: trace = 6.638733465224359 (2.08883e-08% change) linmin: converged after 4 iterations. iteration 307: trace = 6.638733463533532 (2.54691e-08% change) linmin: converged after 4 iterations. iteration 308: trace = 6.638733461458933 (3.12499e-08% change) linmin: converged after 4 iterations. iteration 309: trace = 6.638733459683483 (2.67438e-08% change) linmin: converged after 8 iterations. iteration 310: trace = 6.638733459151364 (8.01536e-09% change) linmin: converged after 2 iterations. iteration 311: trace = 6.638733458305864 (1.27359e-08% change) linmin: converged after 8 iterations. iteration 312: trace = 6.638733457933458 (5.6096e-09% change) linmin: converged after 17 iterations. iteration 313: trace = 6.638733457618706 (4.74114e-09% change) linmin: converged after 4 iterations. iteration 314: trace = 6.638733457246565 (5.6056e-09% change) linmin: converged after 4 iterations. iteration 315: trace = 6.63873345662853 (9.30954e-09% change) linmin: converged after 27 iterations. iteration 316: trace = 6.638733456168647 (6.92727e-09% change) linmin: converged after 6 iterations. iteration 317: trace = 6.638733456016138 (2.29726e-09% change) linmin: converged after 3 iterations. iteration 318: trace = 6.63873345592733 (1.33773e-09% change) linmin: converged after 3 iterations. iteration 319: trace = 6.638733455861431 (9.92635e-10% change) linmin: converged after 4 iterations. iteration 320: trace = 6.638733455788412 (1.09991e-09% change) linmin: converged after 4 iterations. iteration 321: trace = 6.63873345572871 (8.99292e-10% change) linmin: converged after 10 iterations. iteration 322: trace = 6.638733455645148 (1.25871e-09% change) linmin: converged after 4 iterations. iteration 323: trace = 6.638733455573155 (1.08444e-09% change) linmin: converged after 4 iterations. iteration 324: trace = 6.638733455556595 (2.49433e-10% change) linmin: converged after 4 iterations. iteration 325: trace = 6.638733455540329 (2.45018e-10% change) linmin: converged after 2 iterations. iteration 326: trace = 6.638733455526417 (2.09564e-10% change) linmin: converged after 6 iterations. iteration 327: trace = 6.638733455512361 (2.11718e-10% change) linmin: converged after 6 iterations. iteration 328: trace = 6.638733455504184 (1.23178e-10% change) linmin: converged after 4 iterations. iteration 329: trace = 6.638733455491636 (1.89015e-10% change) linmin: converged after 4 iterations. iteration 330: trace = 6.638733455483589 (1.21211e-10% change) linmin: converged after 3 iterations. iteration 331: trace = 6.638733455480923 (4.0163e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 elapsed time for k point: 3.875922203063965 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.6260576636651 (0.100231% change) linmin: converged after 4 iterations. iteration 2: trace = 6.622613155506363 (0.0519978% change) linmin: converged after 3 iterations. iteration 3: trace = 6.620673763192594 (0.0292887% change) linmin: converged after 3 iterations. iteration 4: trace = 6.61959770366671 (0.0162543% change) linmin: converged after 3 iterations. iteration 5: trace = 6.618315111654894 (0.0193776% change) linmin: converged after 3 iterations. iteration 6: trace = 6.617219287554234 (0.0165588% change) linmin: converged after 4 iterations. iteration 7: trace = 6.615295861087446 (0.0290712% change) linmin: converged after 5 iterations. iteration 8: trace = 6.61417947717352 (0.0168772% change) linmin: converged after 3 iterations. iteration 9: trace = 6.613750797582683 (0.00648143% change) linmin: converged after 4 iterations. iteration 10: trace = 6.613492236553606 (0.00390952% change) linmin: converged after 3 iterations. iteration 11: trace = 6.613099997166025 (0.00593107% change) linmin: converged after 3 iterations. iteration 12: trace = 6.612508104554861 (0.00895071% change) linmin: converged after 3 iterations. iteration 13: trace = 6.611911604270607 (0.00902119% change) linmin: converged after 4 iterations. iteration 14: trace = 6.611621979155153 (0.00438045% change) linmin: converged after 5 iterations. iteration 15: trace = 6.61152879743824 (0.00140937% change) linmin: converged after 10 iterations. iteration 16: trace = 6.611478379688956 (0.000762576% change) linmin: converged after 3 iterations. iteration 17: trace = 6.611426401150281 (0.000786189% change) linmin: converged after 3 iterations. iteration 18: trace = 6.611356799138305 (0.00105276% change) linmin: converged after 3 iterations. iteration 19: trace = 6.611309368452345 (0.000717415% change) linmin: converged after 3 iterations. iteration 20: trace = 6.611236277861248 (0.00110554% change) linmin: converged after 3 iterations. iteration 21: trace = 6.611184239585778 (0.000787122% change) linmin: converged after 3 iterations. iteration 22: trace = 6.611157390189376 (0.000406122% change) linmin: converged after 4 iterations. iteration 23: trace = 6.611149760151916 (0.000115412% change) linmin: converged after 3 iterations. iteration 24: trace = 6.611137418040058 (0.000186686% change) linmin: converged after 6 iterations. iteration 25: trace = 6.611117109453347 (0.000307188% change) linmin: converged after 3 iterations. iteration 26: trace = 6.611106886969172 (0.000154626% change) linmin: converged after 4 iterations. iteration 27: trace = 6.611093350464097 (0.000204754% change) linmin: converged after 3 iterations. iteration 28: trace = 6.611088832489158 (6.83393e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.611086831710893 (3.0264e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 6.611085128689046 (2.57601e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.611082646624049 (3.7544e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.611078563754775 (6.1758e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.611077155520979 (2.13011e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.611075809232332 (2.03641e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.611075193893146 (9.3077e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 6.611074698949416 (7.48658e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.611074407602309 (4.40696e-06% change) large trace change predicted (9.33395e-06%) linmin: converged after 7 iterations. iteration 38: trace = 6.611073790566093 (9.33337e-06% change) linmin: converged after 3 iterations. iteration 39: trace = 6.611073203340129 (8.88246e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 6.611073052510149 (2.28147e-06% change) linmin: converged after 23 iterations. iteration 41: trace = 6.611072941966639 (1.6721e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 6.611072860997261 (1.22475e-06% change) linmin: converged after 3 iterations. iteration 43: trace = 6.611072808574963 (7.92947e-07% change) linmin: converged after 9 iterations. iteration 44: trace = 6.611072776016216 (4.92488e-07% change) linmin: converged after 11 iterations. iteration 45: trace = 6.611072738164962 (5.72543e-07% change) linmin: converged after 7 iterations. iteration 46: trace = 6.611072698871501 (5.94358e-07% change) linmin: converged after 11 iterations. iteration 47: trace = 6.611072683715105 (2.29258e-07% change) linmin: converged after 12 iterations. iteration 48: trace = 6.611072672234465 (1.73658e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.611072662758118 (1.43341e-07% change) linmin: converged after 4 iterations. iteration 50: trace = 6.611072656974429 (8.74849e-08% change) linmin: converged after 6 iterations. iteration 51: trace = 6.611072652150455 (7.29681e-08% change) linmin: converged after 11 iterations. iteration 52: trace = 6.6110726464698 (8.59264e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 6.611072641173973 (8.01054e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.611072640190232 (1.48802e-08% change) linmin: converged after 13 iterations. iteration 55: trace = 6.611072639602208 (8.89454e-09% change) linmin: converged after 18 iterations. iteration 56: trace = 6.611072639215561 (5.84848e-09% change) linmin: converged after 19 iterations. iteration 57: trace = 6.611072638759536 (6.89789e-09% change) linmin: converged after 9 iterations. iteration 58: trace = 6.611072638475058 (4.30306e-09% change) linmin: converged after 24 iterations. iteration 59: trace = 6.611072638036691 (6.6308e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 6.611072637785712 (3.79634e-09% change) linmin: converged after 23 iterations. iteration 61: trace = 6.611072637654464 (1.98527e-09% change) linmin: converged after 8 iterations. iteration 62: trace = 6.611072637585958 (1.03623e-09% change) linmin: converged after 10 iterations. iteration 63: trace = 6.611072637534597 (7.76902e-10% change) linmin: converged after 5 iterations. iteration 64: trace = 6.611072637495156 (5.96582e-10% change) linmin: converged after 5 iterations. iteration 65: trace = 6.611072637473903 (3.21479e-10% change) large trace change predicted (1.05746e-09%) linmin: converged after 7 iterations. iteration 66: trace = 6.611072637403989 (1.05753e-09% change) linmin: converged after 5 iterations. iteration 67: trace = 6.611072637378327 (3.88169e-10% change) linmin: converged after 10 iterations. iteration 68: trace = 6.611072637366791 (1.7449e-10% change) linmin: converged after 3 iterations. iteration 69: trace = 6.611072637361785 (7.57315e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 elapsed time for k point: 1.5735015869140625 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.696548452574453 (0.194448% change) linmin: converged after 3 iterations. iteration 2: trace = 6.68934246550691 (0.107665% change) linmin: converged after 3 iterations. iteration 3: trace = 6.684968588109188 (0.0654071% change) linmin: converged after 4 iterations. iteration 4: trace = 6.682654417949922 (0.0346235% change) linmin: converged after 3 iterations. iteration 5: trace = 6.680578974781489 (0.031062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.677750730955622 (0.0423443% change) linmin: converged after 3 iterations. iteration 7: trace = 6.674361515953921 (0.0507667% change) linmin: converged after 4 iterations. iteration 8: trace = 6.672549249849368 (0.0271563% change) linmin: converged after 4 iterations. iteration 9: trace = 6.670357073705703 (0.0328591% change) linmin: converged after 4 iterations. iteration 10: trace = 6.669034273193324 (0.019833% change) linmin: converged after 3 iterations. iteration 11: trace = 6.667931878740369 (0.0165314% change) linmin: converged after 4 iterations. iteration 12: trace = 6.667446347570774 (0.00728185% change) large trace change predicted (0.0240835%) linmin: converged after 4 iterations. iteration 13: trace = 6.665843395724869 (0.0240444% change) linmin: converged after 3 iterations. iteration 14: trace = 6.664868522369391 (0.014626% change) linmin: converged after 3 iterations. iteration 15: trace = 6.663981786838425 (0.0133055% change) linmin: converged after 3 iterations. iteration 16: trace = 6.663285117050775 (0.0104548% change) linmin: converged after 4 iterations. iteration 17: trace = 6.662813208995669 (0.00708246% change) linmin: converged after 3 iterations. iteration 18: trace = 6.662657367837145 (0.002339% change) linmin: converged after 3 iterations. iteration 19: trace = 6.662510138456993 (0.00220979% change) large trace change predicted (0.00524066%) linmin: converged after 3 iterations. iteration 20: trace = 6.662160849172216 (0.00524275% change) linmin: converged after 4 iterations. iteration 21: trace = 6.6619742098717 (0.00280152% change) linmin: converged after 4 iterations. iteration 22: trace = 6.661701520712338 (0.0040933% change) linmin: converged after 4 iterations. iteration 23: trace = 6.661499720848783 (0.0030293% change) linmin: converged after 3 iterations. iteration 24: trace = 6.661401436788111 (0.00147542% change) linmin: converged after 3 iterations. iteration 25: trace = 6.661330968882906 (0.00105786% change) linmin: converged after 4 iterations. iteration 26: trace = 6.661273357507079 (0.000864867% change) linmin: converged after 6 iterations. iteration 27: trace = 6.661214838038512 (0.000878507% change) linmin: converged after 4 iterations. iteration 28: trace = 6.661157759357232 (0.000856885% change) linmin: converged after 4 iterations. iteration 29: trace = 6.661112661270185 (0.000677033% change) linmin: converged after 13 iterations. iteration 30: trace = 6.661070300428092 (0.000635944% change) linmin: converged after 5 iterations. iteration 31: trace = 6.661058307974867 (0.000180038% change) linmin: converged after 3 iterations. iteration 32: trace = 6.661042292604195 (0.000240433% change) linmin: converged after 3 iterations. iteration 33: trace = 6.661028283391409 (0.000210316% change) linmin: converged after 3 iterations. iteration 34: trace = 6.661012969908079 (0.000229897% change) linmin: converged after 3 iterations. iteration 35: trace = 6.661000272792445 (0.000190619% change) linmin: converged after 3 iterations. iteration 36: trace = 6.660981057700925 (0.000288472% change) linmin: converged after 3 iterations. iteration 37: trace = 6.660974846350101 (9.32498e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.660970536537528 (6.47025e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 6.660965329883129 (7.81666e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 6.660960399141092 (7.40245e-05% change) linmin: converged after 9 iterations. iteration 41: trace = 6.660955690692173 (7.06873e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.660951410711075 (6.42548e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 6.660948058569119 (5.03253e-05% change) linmin: converged after 7 iterations. iteration 44: trace = 6.660947085941372 (1.46019e-05% change) large trace change predicted (2.98581e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.660945097034071 (2.98592e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.660943821783676 (1.91452e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 6.660942440495745 (2.07371e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.660941469353187 (1.45797e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.660940204101015 (1.89951e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 6.660939460724643 (1.11602e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.66093894801723 (7.69722e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.660938435135448 (7.69984e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.660938003142447 (6.48547e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 6.66093769090408 (4.6876e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.66093725847799 (6.49197e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 6.660937080980935 (2.66475e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 6.660937039755714 (6.1891e-07% change) linmin: converged after 4 iterations. iteration 58: trace = 6.660936992661449 (7.07022e-07% change) linmin: converged after 3 iterations. iteration 59: trace = 6.660936943514294 (7.37841e-07% change) linmin: converged after 8 iterations. iteration 60: trace = 6.660936890542162 (7.95265e-07% change) linmin: converged after 2 iterations. iteration 61: trace = 6.660936833462838 (8.56926e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 6.660936777950853 (8.33396e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 6.660936765941797 (1.80291e-07% change) linmin: converged after 2 iterations. iteration 64: trace = 6.660936755015155 (1.64041e-07% change) linmin: converged after 6 iterations. iteration 65: trace = 6.660936746504003 (1.27777e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.660936740708101 (8.70133e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.660936737168779 (5.31355e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.660936730929 (9.36772e-08% change) linmin: converged after 9 iterations. iteration 69: trace = 6.660936726671792 (6.39131e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.660936725038566 (2.45195e-08% change) linmin: converged after 2 iterations. iteration 71: trace = 6.660936723757438 (1.92334e-08% change) linmin: converged after 6 iterations. iteration 72: trace = 6.660936722379987 (2.06795e-08% change) linmin: converged after 33 iterations. iteration 73: trace = 6.66093672137998 (1.5013e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.660936720551226 (1.2442e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.660936719202968 (2.02413e-08% change) linmin: converged after 4 iterations. iteration 76: trace = 6.660936718301423 (1.35348e-08% change) linmin: converged after 18 iterations. iteration 77: trace = 6.660936717516629 (1.1782e-08% change) linmin: converged after 15 iterations. iteration 78: trace = 6.660936716875789 (9.62086e-09% change) linmin: converged after 25 iterations. iteration 79: trace = 6.660936716382007 (7.4131e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.660936716199179 (2.74479e-09% change) linmin: converged after 4 iterations. iteration 81: trace = 6.660936715851733 (5.21617e-09% change) linmin: converged after 22 iterations. iteration 82: trace = 6.660936715504791 (5.20861e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.660936715305027 (2.99903e-09% change) linmin: converged after 27 iterations. iteration 84: trace = 6.66093671508835 (3.25296e-09% change) linmin: converged after 5 iterations. iteration 85: trace = 6.660936714937364 (2.26674e-09% change) linmin: converged after 9 iterations. iteration 86: trace = 6.660936714833896 (1.55336e-09% change) linmin: converged after 3 iterations. iteration 87: trace = 6.660936714747509 (1.29692e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 6.660936714695935 (7.74273e-10% change) linmin: converged after 6 iterations. iteration 89: trace = 6.660936714617487 (1.17772e-09% change) linmin: converged after 18 iterations. iteration 90: trace = 6.66093671457714 (6.0573e-10% change) linmin: converged after 7 iterations. iteration 91: trace = 6.660936714542649 (5.17818e-10% change) linmin: converged after 19 iterations. iteration 92: trace = 6.66093671452329 (2.90631e-10% change) linmin: converged after 6 iterations. iteration 93: trace = 6.660936714512652 (1.59703e-10% change) linmin: converged after 23 iterations. iteration 94: trace = 6.660936714494253 (2.7623e-10% change) linmin: converged after 4 iterations. iteration 95: trace = 6.660936714476417 (2.67763e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.660936714462952 (2.02146e-10% change) linmin: converged after 6 iterations. iteration 97: trace = 6.660936714455913 (1.05686e-10% change) linmin: converged after 3 iterations. iteration 98: trace = 6.660936714447594 (1.24888e-10% change) linmin: converged after 4 iterations. iteration 99: trace = 6.660936714441473 (9.18989e-11% change) Finished solving for bands 1 to 8 after 99 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 elapsed time for k point: 1.462587594985962 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.828693365824004 (0.258209% change) linmin: converged after 4 iterations. iteration 2: trace = 6.81491531333085 (0.201971% change) linmin: converged after 4 iterations. iteration 3: trace = 6.803492943791591 (0.167749% change) linmin: converged after 4 iterations. iteration 4: trace = 6.798487715310334 (0.0735956% change) linmin: converged after 4 iterations. iteration 5: trace = 6.793362049054725 (0.0754226% change) linmin: converged after 4 iterations. iteration 6: trace = 6.785739546110888 (0.112268% change) linmin: converged after 4 iterations. iteration 7: trace = 6.782649098280649 (0.0455536% change) large trace change predicted (0.100602%) linmin: converged after 4 iterations. iteration 8: trace = 6.775937084960444 (0.0990076% change) linmin: converged after 4 iterations. iteration 9: trace = 6.767502319495193 (0.124559% change) linmin: converged after 5 iterations. iteration 10: trace = 6.763226777760307 (0.0631975% change) linmin: converged after 4 iterations. iteration 11: trace = 6.757059804096025 (0.0912255% change) linmin: converged after 3 iterations. iteration 12: trace = 6.751376539552863 (0.0841439% change) linmin: converged after 3 iterations. iteration 13: trace = 6.749201093205061 (0.0322275% change) large trace change predicted (0.0987653%) linmin: converged after 4 iterations. iteration 14: trace = 6.742591395271164 (0.097981% change) linmin: converged after 3 iterations. iteration 15: trace = 6.740640520736622 (0.0289378% change) linmin: converged after 4 iterations. iteration 16: trace = 6.737712722144593 (0.0434445% change) linmin: converged after 4 iterations. iteration 17: trace = 6.73452098326382 (0.0473825% change) linmin: converged after 4 iterations. iteration 18: trace = 6.732582978654195 (0.0287813% change) linmin: converged after 4 iterations. iteration 19: trace = 6.729242279218445 (0.0496322% change) linmin: converged after 4 iterations. iteration 20: trace = 6.728109380356157 (0.0168369% change) linmin: converged after 3 iterations. iteration 21: trace = 6.726644100330462 (0.0217809% change) linmin: converged after 4 iterations. iteration 22: trace = 6.725872586664417 (0.0114702% change) linmin: converged after 3 iterations. iteration 23: trace = 6.725359747865309 (0.00762516% change) linmin: converged after 21 iterations. iteration 24: trace = 6.724756270469366 (0.00897356% change) linmin: converged after 4 iterations. iteration 25: trace = 6.724231366871892 (0.00780585% change) linmin: converged after 4 iterations. iteration 26: trace = 6.723530396492713 (0.0104251% change) linmin: converged after 4 iterations. iteration 27: trace = 6.723053589910712 (0.00709186% change) linmin: converged after 4 iterations. iteration 28: trace = 6.722658831569981 (0.00587188% change) linmin: converged after 5 iterations. iteration 29: trace = 6.722318025801377 (0.00506964% change) linmin: converged after 3 iterations. iteration 30: trace = 6.722110957479178 (0.00308036% change) linmin: converged after 3 iterations. iteration 31: trace = 6.721805734272037 (0.00454069% change) linmin: converged after 3 iterations. iteration 32: trace = 6.721654561005488 (0.00224902% change) linmin: converged after 3 iterations. iteration 33: trace = 6.721517311503868 (0.00204192% change) linmin: converged after 3 iterations. iteration 34: trace = 6.721358449047066 (0.00236352% change) linmin: converged after 3 iterations. iteration 35: trace = 6.721272068097353 (0.00128518% change) linmin: converged after 3 iterations. iteration 36: trace = 6.721179708634331 (0.00137415% change) linmin: converged after 6 iterations. iteration 37: trace = 6.721123311312419 (0.000839102% change) linmin: converged after 5 iterations. iteration 38: trace = 6.721064014980577 (0.000882242% change) linmin: converged after 3 iterations. iteration 39: trace = 6.720970932018229 (0.00138495% change) linmin: converged after 6 iterations. iteration 40: trace = 6.720931124316433 (0.000592293% change) large trace change predicted (0.00161295%) linmin: converged after 3 iterations. iteration 41: trace = 6.720822629671658 (0.00161429% change) linmin: converged after 4 iterations. iteration 42: trace = 6.72079846265409 (0.000359585% change) large trace change predicted (0.00072696%) linmin: converged after 5 iterations. iteration 43: trace = 6.720749736141956 (0.000725013% change) linmin: converged after 6 iterations. iteration 44: trace = 6.72072260233406 (0.000403733% change) linmin: converged after 9 iterations. iteration 45: trace = 6.72070519794796 (0.000258966% change) large trace change predicted (0.000642169%) linmin: converged after 6 iterations. iteration 46: trace = 6.720662129158626 (0.000640839% change) linmin: converged after 3 iterations. iteration 47: trace = 6.720647159202968 (0.000222745% change) linmin: converged after 4 iterations. iteration 48: trace = 6.720620434442544 (0.000397652% change) linmin: converged after 4 iterations. iteration 49: trace = 6.720599312394453 (0.000314288% change) linmin: converged after 3 iterations. iteration 50: trace = 6.720588138740021 (0.00016626% change) linmin: converged after 3 iterations. iteration 51: trace = 6.720572437757358 (0.000233625% change) linmin: converged after 3 iterations. iteration 52: trace = 6.720560502977415 (0.000177586% change) linmin: converged after 5 iterations. iteration 53: trace = 6.720550779021665 (0.00014469% change) linmin: converged after 3 iterations. iteration 54: trace = 6.72054201605287 (0.000130391% change) linmin: converged after 5 iterations. iteration 55: trace = 6.720538072124155 (5.86847e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.720533815636847 (6.33355e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.720531117060512 (4.01542e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 6.720527587293265 (5.25222e-05% change) linmin: converged after 4 iterations. iteration 59: trace = 6.720523743289104 (5.7198e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.720520452342011 (4.89686e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 6.720515636146466 (7.16641e-05% change) linmin: converged after 11 iterations. iteration 62: trace = 6.720513695801111 (2.8872e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.720511339817818 (3.50566e-05% change) linmin: converged after 2 iterations. iteration 64: trace = 6.720510233758202 (1.6458e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.7205095257317 (1.05353e-05% change) linmin: converged after 2 iterations. iteration 66: trace = 6.720508403500634 (1.66986e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.720507795705634 (9.04388e-06% change) large trace change predicted (2.55121e-05%) linmin: converged after 4 iterations. iteration 68: trace = 6.720506081209342 (2.55114e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 6.720505166233876 (1.36147e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.720504632564524 (7.94091e-06% change) linmin: converged after 3 iterations. iteration 71: trace = 6.720503757921638 (1.30145e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.720503155132286 (8.96941e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.720502825006813 (4.91221e-06% change) linmin: converged after 3 iterations. iteration 74: trace = 6.720502267138848 (8.30099e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.72050161821459 (9.65589e-06% change) linmin: converged after 3 iterations. iteration 76: trace = 6.720501329636397 (4.294e-06% change) linmin: converged after 3 iterations. iteration 77: trace = 6.720500923073919 (6.04959e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.7205004497822 (7.04251e-06% change) linmin: converged after 3 iterations. iteration 79: trace = 6.720500091190194 (5.33579e-06% change) linmin: converged after 3 iterations. iteration 80: trace = 6.720499710770521 (5.66059e-06% change) linmin: converged after 7 iterations. iteration 81: trace = 6.720499408715081 (4.49454e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 6.720499351491902 (8.51472e-07% change) linmin: converged after 7 iterations. iteration 83: trace = 6.720499245520994 (1.57683e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 6.720499132663288 (1.67931e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 6.720498947976651 (2.74811e-06% change) linmin: converged after 8 iterations. iteration 86: trace = 6.720498868915341 (1.17642e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.720498762222831 (1.58757e-06% change) linmin: converged after 2 iterations. iteration 88: trace = 6.720498674231538 (1.3093e-06% change) linmin: converged after 5 iterations. iteration 89: trace = 6.720498653875839 (3.0289e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.720498625620474 (4.20436e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.720498602840975 (3.38955e-07% change) linmin: converged after 18 iterations. iteration 92: trace = 6.720498591264342 (1.72259e-07% change) large trace change predicted (4.49888e-07%) linmin: converged after 4 iterations. iteration 93: trace = 6.720498561030472 (4.49875e-07% change) linmin: converged after 3 iterations. iteration 94: trace = 6.720498532165731 (4.29503e-07% change) linmin: converged after 3 iterations. iteration 95: trace = 6.720498516270226 (2.36523e-07% change) linmin: converged after 4 iterations. iteration 96: trace = 6.720498508965846 (1.08688e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.720498499076913 (1.47146e-07% change) linmin: converged after 19 iterations. iteration 98: trace = 6.720498492691434 (9.5015e-08% change) linmin: converged after 7 iterations. iteration 99: trace = 6.720498490784987 (2.83676e-08% change) large trace change predicted (6.5941e-08%) linmin: converged after 10 iterations. iteration 100: trace = 6.720498486353334 (6.59423e-08% change) linmin: converged after 4 iterations. iteration 101: trace = 6.720498482665715 (5.48712e-08% change) linmin: converged after 12 iterations. iteration 102: trace = 6.720498480517313 (3.19679e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 6.720498478115991 (3.57313e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.720498474287696 (5.69645e-08% change) linmin: converged after 29 iterations. iteration 105: trace = 6.720498473541149 (1.11085e-08% change) large trace change predicted (2.47838e-08%) linmin: converged after 4 iterations. iteration 106: trace = 6.720498471875564 (2.47837e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.720498471055208 (1.22068e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 6.720498470350883 (1.04803e-08% change) linmin: converged after 4 iterations. iteration 109: trace = 6.720498469397505 (1.41861e-08% change) linmin: converged after 5 iterations. iteration 110: trace = 6.720498468545252 (1.26814e-08% change) linmin: converged after 31 iterations. iteration 111: trace = 6.720498468272286 (4.0617e-09% change) large trace change predicted (9.26929e-09%) linmin: converged after 5 iterations. iteration 112: trace = 6.720498467649367 (9.26893e-09% change) linmin: converged after 4 iterations. iteration 113: trace = 6.720498466966988 (1.01537e-08% change) linmin: converged after 10 iterations. iteration 114: trace = 6.720498466587099 (5.65269e-09% change) linmin: converged after 8 iterations. iteration 115: trace = 6.720498466423583 (2.4331e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 6.72049846625117 (2.56547e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 6.720498466094205 (2.33562e-09% change) linmin: converged after 30 iterations. iteration 118: trace = 6.720498466028793 (9.73316e-10% change) large trace change predicted (2.31059e-09%) linmin: converged after 4 iterations. iteration 119: trace = 6.720498465873534 (2.31024e-09% change) linmin: converged after 10 iterations. iteration 120: trace = 6.720498465800697 (1.0838e-09% change) linmin: converged after 4 iterations. iteration 121: trace = 6.720498465753364 (7.04305e-10% change) linmin: converged after 18 iterations. iteration 122: trace = 6.720498465699117 (8.07191e-10% change) linmin: converged after 6 iterations. iteration 123: trace = 6.720498465620707 (1.16672e-09% change) linmin: converged after 4 iterations. iteration 124: trace = 6.720498465592529 (4.1929e-10% change) linmin: converged after 4 iterations. iteration 125: trace = 6.72049846557295 (2.91333e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.720498465558395 (2.16583e-10% change) linmin: converged after 12 iterations. iteration 127: trace = 6.720498465555194 (4.76303e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 elapsed time for k point: 1.308332920074463 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.805955352031835 (0.370679% change) linmin: converged after 5 iterations. iteration 2: trace = 6.786471645847239 (0.286685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.766412309853988 (0.296016% change) linmin: converged after 5 iterations. iteration 4: trace = 6.762821497824874 (0.0530823% change) large trace change predicted (0.161507%) linmin: converged after 4 iterations. iteration 5: trace = 6.75155062614866 (0.166798% change) linmin: converged after 4 iterations. iteration 6: trace = 6.745349182879033 (0.0918943% change) linmin: converged after 4 iterations. iteration 7: trace = 6.741351558095389 (0.0592825% change) linmin: converged after 3 iterations. iteration 8: trace = 6.737815057785499 (0.0524736% change) linmin: converged after 4 iterations. iteration 9: trace = 6.736500260020686 (0.0195156% change) large trace change predicted (0.0500717%) linmin: converged after 3 iterations. iteration 10: trace = 6.733113218000609 (0.0502916% change) linmin: converged after 3 iterations. iteration 11: trace = 6.731523332423912 (0.0236157% change) linmin: converged after 3 iterations. iteration 12: trace = 6.729172145607876 (0.0349341% change) linmin: converged after 4 iterations. iteration 13: trace = 6.726626433151624 (0.0378381% change) linmin: converged after 4 iterations. iteration 14: trace = 6.725266955478946 (0.0202124% change) linmin: converged after 4 iterations. iteration 15: trace = 6.722631950808276 (0.0391883% change) linmin: converged after 4 iterations. iteration 16: trace = 6.721297259955682 (0.0198557% change) linmin: converged after 3 iterations. iteration 17: trace = 6.71879867059258 (0.0371811% change) linmin: converged after 4 iterations. iteration 18: trace = 6.717806207398143 (0.0147725% change) linmin: converged after 3 iterations. iteration 19: trace = 6.716974623076929 (0.0123796% change) linmin: converged after 3 iterations. iteration 20: trace = 6.71637301711614 (0.0089569% change) linmin: converged after 4 iterations. iteration 21: trace = 6.716154275586822 (0.00325689% change) large trace change predicted (0.0101656%) linmin: converged after 4 iterations. iteration 22: trace = 6.715471626096691 (0.0101648% change) linmin: converged after 4 iterations. iteration 23: trace = 6.71518347118853 (0.004291% change) large trace change predicted (0.0113969%) linmin: converged after 3 iterations. iteration 24: trace = 6.714417828794597 (0.0114023% change) linmin: converged after 3 iterations. iteration 25: trace = 6.714023678705928 (0.00587038% change) linmin: converged after 4 iterations. iteration 26: trace = 6.713806562251935 (0.00323383% change) linmin: converged after 4 iterations. iteration 27: trace = 6.713579668693027 (0.00337956% change) linmin: converged after 4 iterations. iteration 28: trace = 6.713511728607021 (0.00101199% change) large trace change predicted (0.0020878%) linmin: converged after 3 iterations. iteration 29: trace = 6.713371328352466 (0.00209133% change) linmin: converged after 3 iterations. iteration 30: trace = 6.713315046237599 (0.000838362% change) large trace change predicted (0.00185104%) linmin: converged after 4 iterations. iteration 31: trace = 6.713190941339971 (0.00184866% change) linmin: converged after 3 iterations. iteration 32: trace = 6.713118652377476 (0.00107683% change) linmin: converged after 4 iterations. iteration 33: trace = 6.713048703061627 (0.00104198% change) linmin: converged after 5 iterations. iteration 34: trace = 6.712960185520178 (0.0013186% change) linmin: converged after 3 iterations. iteration 35: trace = 6.712939421020381 (0.00030932% change) large trace change predicted (0.000713841%) linmin: converged after 3 iterations. iteration 36: trace = 6.712891502026764 (0.000713833% change) linmin: converged after 4 iterations. iteration 37: trace = 6.71288379616655 (0.000114792% change) large trace change predicted (0.000489822%) linmin: converged after 3 iterations. iteration 38: trace = 6.712850923731485 (0.000489693% change) linmin: converged after 6 iterations. iteration 39: trace = 6.712831944322497 (0.000282733% change) linmin: converged after 3 iterations. iteration 40: trace = 6.712819122549863 (0.000191004% change) linmin: converged after 4 iterations. iteration 41: trace = 6.712799137569486 (0.000297714% change) linmin: converged after 3 iterations. iteration 42: trace = 6.712794544864233 (6.84172e-05% change) large trace change predicted (0.000162524%) linmin: converged after 5 iterations. iteration 43: trace = 6.712783638493903 (0.000162472% change) linmin: converged after 11 iterations. iteration 44: trace = 6.712781295169769 (3.49084e-05% change) large trace change predicted (8.74419e-05%) linmin: converged after 4 iterations. iteration 45: trace = 6.712775425436074 (8.74412e-05% change) linmin: converged after 9 iterations. iteration 46: trace = 6.712773786932622 (2.44087e-05% change) large trace change predicted (5.15217e-05%) linmin: converged after 3 iterations. iteration 47: trace = 6.712770326994617 (5.15426e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.712767502420244 (4.20776e-05% change) linmin: converged after 8 iterations. iteration 49: trace = 6.712766705641736 (1.18696e-05% change) large trace change predicted (4.49226e-05%) linmin: converged after 3 iterations. iteration 50: trace = 6.712763689647757 (4.49292e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.712763102132034 (8.75222e-06% change) large trace change predicted (2.71658e-05%) linmin: converged after 2 iterations. iteration 52: trace = 6.71276127854624 (2.7166e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.712760419286989 (1.28004e-05% change) linmin: converged after 7 iterations. iteration 54: trace = 6.712759718356282 (1.04418e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.71275902216277 (1.03712e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.71275884752382 (2.6016e-06% change) large trace change predicted (8.44755e-06%) linmin: converged after 4 iterations. iteration 57: trace = 6.712758280566021 (8.44597e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.712758165037714 (1.72103e-06% change) large trace change predicted (5.84499e-06%) linmin: converged after 6 iterations. iteration 59: trace = 6.712757772742973 (5.84402e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.712757572256018 (2.98666e-06% change) linmin: converged after 3 iterations. iteration 61: trace = 6.712757429161202 (2.13168e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.712757251596218 (2.64519e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 6.712757218513527 (4.92833e-07% change) large trace change predicted (1.75918e-06%) linmin: converged after 4 iterations. iteration 64: trace = 6.712757100419477 (1.75925e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.712757077191751 (3.46024e-07% change) large trace change predicted (7.74689e-07%) linmin: converged after 7 iterations. iteration 66: trace = 6.712757025187551 (7.74707e-07% change) linmin: converged after 6 iterations. iteration 67: trace = 6.712756982435169 (6.36883e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.712756959206528 (3.46037e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.712756912967455 (6.88824e-07% change) resetting CG direction... linmin: converged after 24 iterations. iteration 70: trace = 6.712756900835401 (1.80731e-07% change) linmin: converged after 3 iterations. iteration 71: trace = 6.712756887602744 (1.97127e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.712756883382651 (6.28668e-08% change) large trace change predicted (1.50453e-07%) linmin: converged after 3 iterations. iteration 73: trace = 6.712756873283277 (1.5045e-07% change) linmin: converged after 4 iterations. iteration 74: trace = 6.712756865378772 (1.17753e-07% change) linmin: converged after 21 iterations. iteration 75: trace = 6.712756859672806 (8.50018e-08% change) large trace change predicted (2.04409e-07%) linmin: converged after 6 iterations. iteration 76: trace = 6.712756845951316 (2.04409e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 6.712756843609621 (3.48842e-08% change) large trace change predicted (1.27223e-07%) linmin: converged after 4 iterations. iteration 78: trace = 6.71275683506934 (1.27225e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 6.712756830475133 (6.84399e-08% change) linmin: converged after 6 iterations. iteration 80: trace = 6.712756828633527 (2.74344e-08% change) large trace change predicted (5.49577e-08%) linmin: converged after 4 iterations. iteration 81: trace = 6.712756824944322 (5.49581e-08% change) linmin: converged after 4 iterations. iteration 82: trace = 6.712756821598436 (4.98437e-08% change) linmin: converged after 17 iterations. iteration 83: trace = 6.712756819482644 (3.1519e-08% change) linmin: converged after 10 iterations. iteration 84: trace = 6.712756817407787 (3.09092e-08% change) linmin: converged after 5 iterations. iteration 85: trace = 6.712756816739338 (9.95788e-09% change) large trace change predicted (2.35922e-08%) linmin: converged after 3 iterations. iteration 86: trace = 6.712756815155657 (2.35921e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 6.712756814927111 (3.40465e-09% change) large trace change predicted (1.14616e-08%) linmin: converged after 18 iterations. iteration 88: trace = 6.712756814157732 (1.14614e-08% change) linmin: converged after 17 iterations. iteration 89: trace = 6.712756813635045 (7.78647e-09% change) linmin: converged after 14 iterations. iteration 90: trace = 6.71275681341351 (3.30022e-09% change) large trace change predicted (7.75074e-09%) linmin: converged after 25 iterations. iteration 91: trace = 6.712756812893209 (7.75092e-09% change) linmin: converged after 9 iterations. iteration 92: trace = 6.712756812760745 (1.97333e-09% change) large trace change predicted (5.88918e-09%) linmin: converged after 13 iterations. iteration 93: trace = 6.712756812365424 (5.8891e-09% change) linmin: converged after 3 iterations. iteration 94: trace = 6.712756812003807 (5.387e-09% change) linmin: converged after 7 iterations. iteration 95: trace = 6.712756811899509 (1.55373e-09% change) large trace change predicted (3.84346e-09%) linmin: converged after 11 iterations. iteration 96: trace = 6.712756811641516 (3.84332e-09% change) linmin: converged after 2 iterations. iteration 97: trace = 6.712756811536827 (1.55956e-09% change) linmin: converged after 4 iterations. iteration 98: trace = 6.712756811500308 (5.44014e-10% change) large trace change predicted (1.79942e-09%) linmin: converged after 7 iterations. iteration 99: trace = 6.712756811379516 (1.79944e-09% change) linmin: converged after 2 iterations. iteration 100: trace = 6.712756811259492 (1.788e-09% change) linmin: converged after 4 iterations. iteration 101: trace = 6.712756811223127 (5.41738e-10% change) linmin: converged after 10 iterations. iteration 102: trace = 6.712756811167312 (8.31475e-10% change) linmin: converged after 7 iterations. iteration 103: trace = 6.712756811117374 (7.43924e-10% change) linmin: converged after 2 iterations. iteration 104: trace = 6.712756811108303 (1.3513e-10% change) large trace change predicted (4.49877e-10%) linmin: converged after 4 iterations. iteration 105: trace = 6.712756811078102 (4.49901e-10% change) linmin: converged after 2 iterations. iteration 106: trace = 6.712756811070889 (1.07451e-10% change) large trace change predicted (2.43029e-10%) linmin: converged after 19 iterations. iteration 107: trace = 6.712756811054567 (2.4315e-10% change) linmin: converged after 9 iterations. iteration 108: trace = 6.71275681103773 (2.50824e-10% change) linmin: converged after 4 iterations. iteration 109: trace = 6.712756811022556 (2.26042e-10% change) linmin: converged after 4 iterations. iteration 110: trace = 6.712756811015986 (9.78844e-11% change) Finished solving for bands 1 to 8 after 110 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 elapsed time for k point: 0.753420352935791 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.804447595323905 (0.075091% change) large trace change predicted (0.247841%) linmin: converged after 3 iterations. iteration 2: trace = 6.787509709560569 (0.249234% change) linmin: converged after 12 iterations. iteration 3: trace = 6.78416600758117 (0.0492747% change) large trace change predicted (0.154108%) linmin: converged after 4 iterations. iteration 4: trace = 6.773847328685956 (0.152215% change) linmin: converged after 4 iterations. iteration 5: trace = 6.77251991858013 (0.019598% change) large trace change predicted (0.0906904%) linmin: converged after 4 iterations. iteration 6: trace = 6.7662211737164 (0.0930477% change) linmin: converged after 3 iterations. iteration 7: trace = 6.765489412066492 (0.0108155% change) large trace change predicted (0.0789839%) linmin: converged after 4 iterations. iteration 8: trace = 6.759960406114532 (0.0817571% change) linmin: converged after 3 iterations. iteration 9: trace = 6.759700044533112 (0.0038516% change) large trace change predicted (0.0309309%) linmin: converged after 3 iterations. iteration 10: trace = 6.757604007969362 (0.0310126% change) linmin: converged after 3 iterations. iteration 11: trace = 6.757369187106947 (0.00347497% change) large trace change predicted (0.0247096%) linmin: converged after 5 iterations. iteration 12: trace = 6.755700380516066 (0.0246991% change) linmin: converged after 4 iterations. iteration 13: trace = 6.755504919641139 (0.00289332% change) large trace change predicted (0.012852%) linmin: converged after 4 iterations. iteration 14: trace = 6.754652206748955 (0.0126233% change) linmin: converged after 4 iterations. iteration 15: trace = 6.754115945082325 (0.00793946% change) linmin: converged after 4 iterations. iteration 16: trace = 6.753542779465762 (0.00848653% change) large trace change predicted (0.0199723%) linmin: converged after 3 iterations. iteration 17: trace = 6.752183335844688 (0.0201314% change) linmin: converged after 4 iterations. iteration 18: trace = 6.752084991574542 (0.00145649% change) large trace change predicted (0.0158811%) linmin: converged after 4 iterations. iteration 19: trace = 6.751015956392777 (0.0158339% change) linmin: converged after 4 iterations. iteration 20: trace = 6.750877686058918 (0.00204816% change) large trace change predicted (0.0154243%) linmin: converged after 3 iterations. iteration 21: trace = 6.749833216418178 (0.0154728% change) linmin: converged after 4 iterations. iteration 22: trace = 6.749728282010169 (0.00155463% change) large trace change predicted (0.0115024%) linmin: converged after 4 iterations. iteration 23: trace = 6.748952036441013 (0.0115011% change) linmin: converged after 4 iterations. iteration 24: trace = 6.748764551424209 (0.00277803% change) linmin: converged after 3 iterations. iteration 25: trace = 6.748476017419485 (0.00427545% change) linmin: converged after 4 iterations. iteration 26: trace = 6.748262776589692 (0.00315989% change) linmin: converged after 3 iterations. iteration 27: trace = 6.748165146398375 (0.00144676% change) large trace change predicted (0.00385788%) linmin: converged after 4 iterations. iteration 28: trace = 6.747905822884305 (0.00384295% change) linmin: converged after 3 iterations. iteration 29: trace = 6.747846612381974 (0.000877469% change) large trace change predicted (0.00317745%) linmin: converged after 4 iterations. iteration 30: trace = 6.747632836969705 (0.0031681% change) linmin: converged after 4 iterations. iteration 31: trace = 6.747606394525548 (0.000391878% change) large trace change predicted (0.00306597%) linmin: converged after 4 iterations. iteration 32: trace = 6.747399953171819 (0.00305952% change) linmin: converged after 4 iterations. iteration 33: trace = 6.747387722078511 (0.000181271% change) large trace change predicted (0.00242336%) linmin: converged after 4 iterations. iteration 34: trace = 6.747225018833506 (0.00241138% change) linmin: converged after 3 iterations. iteration 35: trace = 6.747193960227815 (0.000460318% change) large trace change predicted (0.00107856%) linmin: converged after 4 iterations. iteration 36: trace = 6.747121438334209 (0.00107485% change) linmin: converged after 3 iterations. iteration 37: trace = 6.7470997718898 (0.000321122% change) large trace change predicted (0.000751257%) linmin: converged after 4 iterations. iteration 38: trace = 6.747049150715911 (0.000750268% change) linmin: converged after 3 iterations. iteration 39: trace = 6.747008136779598 (0.000607881% change) linmin: converged after 4 iterations. iteration 40: trace = 6.746998870293799 (0.000137342% change) large trace change predicted (0.000631497%) linmin: converged after 3 iterations. iteration 41: trace = 6.746956262489844 (0.000631509% change) linmin: converged after 6 iterations. iteration 42: trace = 6.746953504893698 (4.08717e-05% change) large trace change predicted (0.000481256%) linmin: converged after 3 iterations. iteration 43: trace = 6.746921047716273 (0.000481065% change) linmin: converged after 4 iterations. iteration 44: trace = 6.746917366333847 (5.45639e-05% change) large trace change predicted (0.0002699%) linmin: converged after 5 iterations. iteration 45: trace = 6.746899160425827 (0.000269841% change) linmin: converged after 4 iterations. iteration 46: trace = 6.746895008381835 (6.15401e-05% change) large trace change predicted (0.00019307%) linmin: converged after 3 iterations. iteration 47: trace = 6.746881974266559 (0.000193187% change) linmin: converged after 4 iterations. iteration 48: trace = 6.746874481438184 (0.000111056% change) linmin: converged after 3 iterations. iteration 49: trace = 6.746868146557246 (9.38936e-05% change) linmin: converged after 4 iterations. iteration 50: trace = 6.746857504420103 (0.000157735% change) linmin: converged after 3 iterations. iteration 51: trace = 6.746855516675071 (2.94618e-05% change) large trace change predicted (0.000214718%) linmin: converged after 6 iterations. iteration 52: trace = 6.746841037554336 (0.000214606% change) linmin: converged after 4 iterations. iteration 53: trace = 6.746840193062241 (1.25169e-05% change) large trace change predicted (9.3173e-05%) linmin: converged after 3 iterations. iteration 54: trace = 6.746833909627384 (9.31316e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.746833185015451 (1.074e-05% change) large trace change predicted (5.96415e-05%) linmin: converged after 3 iterations. iteration 56: trace = 6.746829162576902 (5.96197e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.746828725834517 (6.4733e-06% change) large trace change predicted (2.46714e-05%) linmin: converged after 5 iterations. iteration 58: trace = 6.74682706211512 (2.46593e-05% change) linmin: converged after 5 iterations. iteration 59: trace = 6.746825889499674 (1.73803e-05% change) linmin: converged after 4 iterations. iteration 60: trace = 6.746825452545512 (6.47644e-06% change) large trace change predicted (2.95798e-05%) linmin: converged after 3 iterations. iteration 61: trace = 6.746823456681524 (2.95823e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 6.746823127211622 (4.88333e-06% change) large trace change predicted (2.68474e-05%) linmin: converged after 5 iterations. iteration 63: trace = 6.746821315951441 (2.68461e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 6.74682118432021 (1.95101e-06% change) large trace change predicted (1.52566e-05%) linmin: converged after 4 iterations. iteration 65: trace = 6.746820154908292 (1.52577e-05% change) linmin: converged after 7 iterations. iteration 66: trace = 6.746820081622887 (1.08622e-06% change) large trace change predicted (7.08718e-06%) linmin: converged after 3 iterations. iteration 67: trace = 6.746819603431781 (7.08765e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 6.746819452732547 (2.23363e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 6.74681925723311 (2.89765e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.746819149107638 (1.60261e-06% change) linmin: converged after 3 iterations. iteration 71: trace = 6.746819008753461 (2.0803e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 6.746818910253522 (1.45995e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.746818745187227 (2.44658e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.746818616830524 (1.90248e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.746818399211371 (3.22551e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 6.74681828538086 (1.68717e-06% change) linmin: converged after 2 iterations. iteration 77: trace = 6.746818109865201 (2.60146e-06% change) linmin: converged after 20 iterations. iteration 78: trace = 6.746818071152347 (5.73794e-07% change) large trace change predicted (1.5422e-06%) linmin: converged after 4 iterations. iteration 79: trace = 6.746817967105337 (1.54216e-06% change) linmin: converged after 8 iterations. iteration 80: trace = 6.746817914381793 (7.81458e-07% change) linmin: converged after 9 iterations. iteration 81: trace = 6.746817907083527 (1.08173e-07% change) large trace change predicted (1.24553e-06%) linmin: converged after 2 iterations. iteration 82: trace = 6.74681782304615 (1.24559e-06% change) linmin: converged after 13 iterations. iteration 83: trace = 6.74681781661431 (9.53314e-08% change) large trace change predicted (1.0668e-06%) linmin: converged after 8 iterations. iteration 84: trace = 6.746817744641013 (1.06677e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.746817736393177 (1.22248e-07% change) large trace change predicted (5.15241e-07%) linmin: converged after 3 iterations. iteration 86: trace = 6.746817701631278 (5.15234e-07% change) linmin: converged after 5 iterations. iteration 87: trace = 6.746817697536646 (6.06898e-08% change) large trace change predicted (2.33444e-07%) linmin: converged after 4 iterations. iteration 88: trace = 6.746817681786828 (2.33441e-07% change) linmin: converged after 5 iterations. iteration 89: trace = 6.746817679575117 (3.27815e-08% change) large trace change predicted (2.03086e-07%) linmin: converged after 3 iterations. iteration 90: trace = 6.746817665873402 (2.03084e-07% change) linmin: converged after 21 iterations. iteration 91: trace = 6.746817664988518 (1.31156e-08% change) large trace change predicted (1.38685e-07%) linmin: converged after 7 iterations. iteration 92: trace = 6.746817655631772 (1.38684e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 6.746817654085186 (2.29232e-08% change) large trace change predicted (1.18599e-07%) linmin: converged after 8 iterations. iteration 94: trace = 6.746817646083493 (1.186e-07% change) linmin: converged after 13 iterations. iteration 95: trace = 6.746817640462645 (8.33111e-08% change) linmin: converged after 7 iterations. iteration 96: trace = 6.746817637625213 (4.20559e-08% change) linmin: converged after 4 iterations. iteration 97: trace = 6.74681763331078 (6.39477e-08% change) linmin: converged after 5 iterations. iteration 98: trace = 6.746817629968001 (4.9546e-08% change) linmin: converged after 11 iterations. iteration 99: trace = 6.7468176261558 (5.65037e-08% change) linmin: converged after 7 iterations. iteration 100: trace = 6.746817625992414 (2.42167e-09% change) large trace change predicted (2.59342e-08%) linmin: converged after 11 iterations. iteration 101: trace = 6.746817624242672 (2.59343e-08% change) linmin: converged after 20 iterations. iteration 102: trace = 6.746817624100168 (2.11216e-09% change) large trace change predicted (1.59034e-08%) linmin: converged after 4 iterations. iteration 103: trace = 6.746817623027193 (1.59034e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.74681762290797 (1.7671e-09% change) large trace change predicted (1.6433e-08%) linmin: converged after 19 iterations. iteration 105: trace = 6.746817621799271 (1.64329e-08% change) linmin: converged after 33 iterations. iteration 106: trace = 6.74681762171291 (1.28003e-09% change) large trace change predicted (1.75521e-08%) linmin: converged after 4 iterations. iteration 107: trace = 6.746817620528712 (1.75519e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.74681762045374 (1.11122e-09% change) large trace change predicted (1.18806e-08%) linmin: converged after 22 iterations. iteration 109: trace = 6.746817619652177 (1.18806e-08% change) linmin: converged after 6 iterations. iteration 110: trace = 6.746817619405686 (3.65344e-09% change) linmin: converged after 3 iterations. iteration 111: trace = 6.746817619222378 (2.71695e-09% change) linmin: converged after 22 iterations. iteration 112: trace = 6.746817619074591 (2.19048e-09% change) linmin: converged after 2 iterations. iteration 113: trace = 6.746817619026851 (7.07587e-10% change) large trace change predicted (3.27373e-09%) linmin: converged after 4 iterations. iteration 114: trace = 6.746817618805972 (3.27383e-09% change) linmin: converged after 4 iterations. iteration 115: trace = 6.746817618788889 (2.53204e-10% change) large trace change predicted (2.65445e-09%) linmin: converged after 4 iterations. iteration 116: trace = 6.746817618609805 (2.65434e-09% change) linmin: converged after 18 iterations. iteration 117: trace = 6.746817618591581 (2.7012e-10% change) large trace change predicted (1.0326e-09%) linmin: converged after 12 iterations. iteration 118: trace = 6.746817618521913 (1.0326e-09% change) linmin: converged after 10 iterations. iteration 119: trace = 6.746817618511382 (1.5609e-10% change) large trace change predicted (1.35052e-09%) linmin: converged after 2 iterations. iteration 120: trace = 6.746817618420272 (1.3504e-09% change) linmin: converged after 18 iterations. iteration 121: trace = 6.746817618406766 (2.00191e-10% change) large trace change predicted (1.7203e-09%) linmin: converged after 10 iterations. iteration 122: trace = 6.746817618290709 (1.72017e-09% change) linmin: converged after 11 iterations. iteration 123: trace = 6.746817618281478 (1.36831e-10% change) large trace change predicted (1.19037e-09%) linmin: converged after 4 iterations. iteration 124: trace = 6.74681761820117 (1.1903e-09% change) linmin: converged after 16 iterations. iteration 125: trace = 6.746817618186881 (2.11789e-10% change) linmin: converged after 15 iterations. iteration 126: trace = 6.74681761816829 (2.75557e-10% change) linmin: converged after 11 iterations. iteration 127: trace = 6.746817618151576 (2.47728e-10% change) linmin: converged after 6 iterations. iteration 128: trace = 6.746817618140278 (1.67464e-10% change) linmin: converged after 13 iterations. iteration 129: trace = 6.746817618132886 (1.09554e-10% change) linmin: converged after 3 iterations. iteration 130: trace = 6.746817618121986 (1.61567e-10% change) linmin: converged after 2 iterations. iteration 131: trace = 6.746817618106294 (2.32576e-10% change) linmin: converged after 5 iterations. iteration 132: trace = 6.746817618105011 (1.90226e-11% change) Finished solving for bands 1 to 8 after 132 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 elapsed time for k point: 1.49784255027771 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925814500596418 (0.213094% change) linmin: converged after 5 iterations. iteration 2: trace = 6.912656408360107 (0.190167% change) linmin: converged after 3 iterations. iteration 3: trace = 6.904258247585227 (0.121563% change) linmin: converged after 5 iterations. iteration 4: trace = 6.896682475678196 (0.109786% change) linmin: converged after 3 iterations. iteration 5: trace = 6.893477598605052 (0.0464806% change) linmin: converged after 4 iterations. iteration 6: trace = 6.89027467957257 (0.0464738% change) linmin: converged after 4 iterations. iteration 7: trace = 6.887461836997099 (0.0408317% change) linmin: converged after 4 iterations. iteration 8: trace = 6.882497275426465 (0.0721071% change) linmin: converged after 4 iterations. iteration 9: trace = 6.879290874293486 (0.0465986% change) linmin: converged after 4 iterations. iteration 10: trace = 6.875156897538091 (0.0601111% change) linmin: converged after 4 iterations. iteration 11: trace = 6.872798201194945 (0.0343134% change) linmin: converged after 3 iterations. iteration 12: trace = 6.870794994806168 (0.0291511% change) linmin: converged after 4 iterations. iteration 13: trace = 6.868395881036607 (0.0349237% change) linmin: converged after 4 iterations. iteration 14: trace = 6.86621439556751 (0.0317663% change) linmin: converged after 3 iterations. iteration 15: trace = 6.864840060452693 (0.0200179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.864049033521961 (0.0115235% change) large trace change predicted (0.0249855%) linmin: converged after 3 iterations. iteration 17: trace = 6.862313276187908 (0.0252909% change) linmin: converged after 3 iterations. iteration 18: trace = 6.860715224253143 (0.0232901% change) linmin: converged after 3 iterations. iteration 19: trace = 6.859968809484593 (0.0108801% change) linmin: converged after 3 iterations. iteration 20: trace = 6.859391947998565 (0.00840945% change) linmin: converged after 3 iterations. iteration 21: trace = 6.858827502382783 (0.00822914% change) linmin: converged after 3 iterations. iteration 22: trace = 6.858164410591376 (0.00966818% change) linmin: converged after 3 iterations. iteration 23: trace = 6.857406145261944 (0.011057% change) linmin: converged after 3 iterations. iteration 24: trace = 6.856832784686063 (0.00836154% change) linmin: converged after 3 iterations. iteration 25: trace = 6.856491556212852 (0.0049766% change) linmin: converged after 3 iterations. iteration 26: trace = 6.856252194382823 (0.00349109% change) linmin: converged after 4 iterations. iteration 27: trace = 6.856048890634965 (0.00296528% change) linmin: converged after 3 iterations. iteration 28: trace = 6.855800374166336 (0.00362484% change) linmin: converged after 3 iterations. iteration 29: trace = 6.855651394979553 (0.00217306% change) linmin: converged after 3 iterations. iteration 30: trace = 6.855512431528354 (0.00202701% change) linmin: converged after 3 iterations. iteration 31: trace = 6.855355716860478 (0.00228599% change) linmin: converged after 3 iterations. iteration 32: trace = 6.855230958647358 (0.00181988% change) linmin: converged after 3 iterations. iteration 33: trace = 6.855155357961117 (0.00110282% change) linmin: converged after 3 iterations. iteration 34: trace = 6.855094916541149 (0.000881697% change) linmin: converged after 3 iterations. iteration 35: trace = 6.85502521717437 (0.00101676% change) linmin: converged after 7 iterations. iteration 36: trace = 6.854917688010056 (0.00156863% change) linmin: converged after 3 iterations. iteration 37: trace = 6.854865488480574 (0.000761493% change) linmin: converged after 4 iterations. iteration 38: trace = 6.854810981191307 (0.000795165% change) linmin: converged after 4 iterations. iteration 39: trace = 6.854754429052387 (0.000825003% change) linmin: converged after 3 iterations. iteration 40: trace = 6.854698860222133 (0.000810664% change) linmin: converged after 4 iterations. iteration 41: trace = 6.854636654728656 (0.000907491% change) linmin: converged after 3 iterations. iteration 42: trace = 6.854585360152608 (0.000748322% change) linmin: converged after 4 iterations. iteration 43: trace = 6.854557541681724 (0.000405838% change) linmin: converged after 3 iterations. iteration 44: trace = 6.854534987637432 (0.000329038% change) linmin: converged after 3 iterations. iteration 45: trace = 6.854507849304162 (0.000395919% change) linmin: converged after 3 iterations. iteration 46: trace = 6.854474000119207 (0.000493825% change) linmin: converged after 3 iterations. iteration 47: trace = 6.854448910897645 (0.000366028% change) linmin: converged after 4 iterations. iteration 48: trace = 6.854430742783726 (0.000265056% change) linmin: converged after 4 iterations. iteration 49: trace = 6.854409551795755 (0.000309158% change) linmin: converged after 4 iterations. iteration 50: trace = 6.854386819143956 (0.000331651% change) linmin: converged after 3 iterations. iteration 51: trace = 6.854372356342974 (0.000211001% change) linmin: converged after 3 iterations. iteration 52: trace = 6.854363722046957 (0.000125968% change) linmin: converged after 3 iterations. iteration 53: trace = 6.854355940080093 (0.000113533% change) linmin: converged after 3 iterations. iteration 54: trace = 6.854348218303488 (0.000112655% change) linmin: converged after 3 iterations. iteration 55: trace = 6.85434181489553 (9.34212e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.854336867231474 (7.21829e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 6.854332981170005 (5.66949e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.854328856284635 (6.01793e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.854325493270705 (4.90641e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.854320731041433 (6.94777e-05% change) linmin: converged after 2 iterations. iteration 61: trace = 6.854317900614725 (4.12941e-05% change) linmin: converged after 4 iterations. iteration 62: trace = 6.854316466541417 (2.09222e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.854314812325643 (2.41339e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 6.854312707976328 (3.07011e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.854310570267851 (3.11878e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.854309275647925 (1.88877e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.854307864026026 (2.05947e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 6.854306225836385 (2.39001e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.854304757597444 (2.14207e-05% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.85430429181651 (6.79545e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.854303980839092 (4.53697e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 6.854303707007329 (3.99503e-06% change) linmin: converged after 4 iterations. iteration 73: trace = 6.854303306237795 (5.84698e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.854303028457227 (4.05264e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.854302857018638 (2.50118e-06% change) linmin: converged after 2 iterations. iteration 76: trace = 6.854302716414224 (2.05133e-06% change) linmin: converged after 5 iterations. iteration 77: trace = 6.854302589324328 (1.85416e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.854302422020374 (2.44086e-06% change) linmin: converged after 2 iterations. iteration 79: trace = 6.854302178650507 (3.55061e-06% change) linmin: converged after 2 iterations. iteration 80: trace = 6.854302043160593 (1.97671e-06% change) linmin: converged after 5 iterations. iteration 81: trace = 6.854301959862691 (1.21526e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 6.854301838190406 (1.77512e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.854301701143552 (1.99943e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.854301574127346 (1.85309e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.854301492731233 (1.18752e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 6.854301369172781 (1.80264e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.854301206108594 (2.37901e-06% change) linmin: converged after 8 iterations. iteration 88: trace = 6.854301115047358 (1.32853e-06% change) linmin: converged after 3 iterations. iteration 89: trace = 6.854301061403404 (7.82632e-07% change) linmin: converged after 7 iterations. iteration 90: trace = 6.854301010580798 (7.4147e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.854300954169966 (8.22999e-07% change) linmin: converged after 7 iterations. iteration 92: trace = 6.854300910079177 (6.43257e-07% change) linmin: converged after 16 iterations. iteration 93: trace = 6.854300884305875 (3.76016e-07% change) linmin: converged after 2 iterations. iteration 94: trace = 6.854300873282439 (1.60825e-07% change) linmin: converged after 19 iterations. iteration 95: trace = 6.85430086333042 (1.45194e-07% change) linmin: converged after 8 iterations. iteration 96: trace = 6.854300852297724 (1.6096e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.854300845288805 (1.02256e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 6.854300839717113 (8.12875e-08% change) linmin: converged after 2 iterations. iteration 99: trace = 6.85430083316451 (9.55984e-08% change) linmin: converged after 25 iterations. iteration 100: trace = 6.854300825010949 (1.18955e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854300821499368 (5.12318e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854300819427277 (3.02305e-08% change) linmin: converged after 10 iterations. iteration 103: trace = 6.854300816199123 (4.70968e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.854300810980634 (7.61345e-08% change) linmin: converged after 3 iterations. iteration 105: trace = 6.854300805509967 (7.98136e-08% change) linmin: converged after 2 iterations. iteration 106: trace = 6.854300800803374 (6.86663e-08% change) linmin: converged after 3 iterations. iteration 107: trace = 6.854300798635795 (3.16236e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.854300795765834 (4.1871e-08% change) large trace change predicted (8.5378e-08%) linmin: converged after 2 iterations. iteration 109: trace = 6.854300789913748 (8.53783e-08% change) linmin: converged after 3 iterations. iteration 110: trace = 6.854300784491166 (7.91121e-08% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854300782610951 (2.74312e-08% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854300781013686 (2.33031e-08% change) linmin: converged after 5 iterations. iteration 113: trace = 6.854300777960276 (4.45474e-08% change) linmin: converged after 11 iterations. iteration 114: trace = 6.854300776068537 (2.75993e-08% change) linmin: converged after 2 iterations. iteration 115: trace = 6.85430077514526 (1.347e-08% change) linmin: converged after 4 iterations. iteration 116: trace = 6.854300773914987 (1.79489e-08% change) linmin: converged after 17 iterations. iteration 117: trace = 6.854300773064537 (1.24075e-08% change) linmin: converged after 14 iterations. iteration 118: trace = 6.854300772502087 (8.2058e-09% change) linmin: converged after 21 iterations. iteration 119: trace = 6.854300772109052 (5.73414e-09% change) linmin: converged after 4 iterations. iteration 120: trace = 6.854300771873268 (3.43994e-09% change) linmin: converged after 3 iterations. iteration 121: trace = 6.854300771710194 (2.37915e-09% change) linmin: converged after 6 iterations. iteration 122: trace = 6.854300771427565 (4.12338e-09% change) linmin: converged after 4 iterations. iteration 123: trace = 6.854300771301659 (1.83688e-09% change) linmin: converged after 4 iterations. iteration 124: trace = 6.854300771230674 (1.03563e-09% change) linmin: converged after 10 iterations. iteration 125: trace = 6.854300771170164 (8.82801e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.854300771103524 (9.72237e-10% change) linmin: converged after 11 iterations. iteration 127: trace = 6.854300771047175 (8.22106e-10% change) linmin: converged after 3 iterations. iteration 128: trace = 6.854300771013627 (4.89449e-10% change) linmin: converged after 5 iterations. iteration 129: trace = 6.85430077098893 (3.60309e-10% change) linmin: converged after 7 iterations. iteration 130: trace = 6.854300770974116 (2.16126e-10% change) linmin: converged after 3 iterations. iteration 131: trace = 6.854300770966613 (1.09456e-10% change) linmin: converged after 2 iterations. iteration 132: trace = 6.854300770959935 (9.7431e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 1.6199285984039307 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037401 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4732823234872291 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290618 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818523 at Vector3<0.5, 0.5, 0.0> to 0.8037365323031586 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7017932556977584 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711523 at Vector3<0.5, 0.1, 0.0> Band 5 range: 0.9047498485810708 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007138 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.0077925606078892 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.1815403744341735 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.1224242519757037 at Vector3<0.2, 0.0, 0.0> to 1.235156767923532 at Vector3<0.3, 0.3, 0.0> Band 8 range: 1.2059728636717484 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605643 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037401) to band 2 (0.4732823234872291), 12.756230634740582% Gap from band 4 (0.8863448167711523) to band 5 (0.9047498485810708), 2.055171305677368% total elapsed time for run: 25.303153038024902 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" Outputting /tmp/meepuUBjUW/test_run_te_with_mu_material-0-mu.h5... mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" ./tmp/meepuUBjUW/test_run_te_with_mu_material-0: 25.32s /tmp/meepuUBjUW/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013556480407714844 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 16 iterations. iteration 1: trace = 13.34219610907316 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574134645 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532084566 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674664691 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153594937 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956211726 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820096039 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110536306 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920479 (0.0351352% change) linmin: converged after 6 iterations. iteration 10: trace = 4.381187024151515 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064872483 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652773514 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327479996 (0.0364202% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477119388 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613479035 (0.000911427% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192660378 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731090828 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431190648 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977266439 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547638314 (9.82294e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986616824 (1.28271e-05% change) linmin: converged after 8 iterations. iteration 22: trace = 4.373721450686105 (1.22534e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.373721224632515 (5.16845e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 4.373721180253412 (1.01468e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520035 (1.76815e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.373721170365219 (4.92674e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530104 (1.90939e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 4.373721169259862 (6.17878e-09% change) linmin: converged after 28 iterations. iteration 29: trace = 4.373721169186911 (1.66793e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721169145532 (9.4609e-10% change) linmin: converged after 11 iterations. iteration 31: trace = 4.373721169066987 (1.79584e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966431 (2.2991e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 4.373721168940524 (5.92319e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.373721168933659 (1.56974e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.37372116892797 (1.30067e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 4.373721168920043 (1.81241e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 4.373721168904344 (3.58949e-10% change) large trace change predicted (9.95405e-10%) linmin: converged after 5 iterations. iteration 38: trace = 4.373721168860811 (9.95315e-10% change) large trace change predicted (4.53523e-09%) linmin: converged after 6 iterations. iteration 39: trace = 4.373721168662423 (4.53591e-09% change) large trace change predicted (2.07011e-08%) linmin: converged after 3 iterations. iteration 40: trace = 4.373721167757034 (2.07007e-08% change) large trace change predicted (8.12557e-08%) linmin: converged after 4 iterations. iteration 41: trace = 4.373721164203222 (8.12537e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.37372115830691 (1.34812e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721154436483 (8.84928e-08% change) linmin: converged after 11 iterations. iteration 44: trace = 4.373721151274946 (7.22848e-08% change) large trace change predicted (2.03287e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383832 (2.03285e-07% change) large trace change predicted (4.92802e-07%) linmin: converged after 6 iterations. iteration 46: trace = 4.373721120833393 (4.92725e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 4.37372107793805 (9.80752e-07% change) large trace change predicted (2.055e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988609533 (2.04239e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903699593 (1.94137e-06% change) linmin: converged after 9 iterations. iteration 50: trace = 4.373720867145784 (8.3576e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.37372085603617 (2.54008e-07% change) linmin: converged after 9 iterations. iteration 52: trace = 4.373720853582015 (5.61114e-08% change) linmin: converged after 5 iterations. iteration 53: trace = 4.373720853002698 (1.32454e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 4.373720852585022 (9.54968e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851986538 (1.36836e-08% change) linmin: converged after 8 iterations. iteration 56: trace = 4.373720851520712 (1.06506e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 4.373720851245481 (6.29284e-09% change) linmin: converged after 7 iterations. iteration 58: trace = 4.373720851095249 (3.43487e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044093 (1.16963e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.373720851034473 (2.19947e-10% change) linmin: converged after 5 iterations. iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.3851799964904785 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909575996686 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128641663713 (0.94019% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320136589965 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732191285522 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652316352 (0.028693% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414673696 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.290902808716371 (0.00325348% change) linmin: converged after 6 iterations. iteration 8: trace = 4.2908721193893 (0.000715221% change) linmin: converged after 5 iterations. iteration 9: trace = 4.29086322736101 (0.000207231% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496337257 (8.69528e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035134088 (3.40539e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.290857390244804 (1.50294e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285462815 (2.44198e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271945756 (3.1502e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.290857267538623 (1.0271e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 4.290857264553208 (6.95762e-08% change) linmin: converged after 11 iterations. iteration 17: trace = 4.290857263488306 (2.48179e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.290857263235813 (5.88445e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156709 (1.84354e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.290857263115525 (9.59807e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096176 (4.50935e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085615 (2.46136e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.1788475513458252 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007783039 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336657865 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740783887 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881259739 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170494 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621548 (0.000236877% change) linmin: converged after 20 iterations. iteration 7: trace = 4.208308119593188 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493156 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.2083079596792 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47789e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.208307958537226 (2.35728e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.208307958520758 (3.91314e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.10122060775756836 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019179923 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.15091918802987 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.15050869675084 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631781 (0.00137421% change) linmin: converged after 6 iterations. iteration 5: trace = 4.150445322388979 (0.000152712% change) linmin: converged after 4 iterations. iteration 6: trace = 4.150444374952527 (2.28273e-05% change) linmin: converged after 38 iterations. iteration 7: trace = 4.150444119567911 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145889 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167716 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934402 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836717 (2.35361e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.150444015829235 (1.8027e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.10575103759765625 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812539464 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810314 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.11975343523068 (0.0146599% change) linmin: converged after 12 iterations. iteration 4: trace = 4.119635726773534 (0.00285721% change) linmin: converged after 5 iterations. iteration 5: trace = 4.119609536145701 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815895 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308932 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539519 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763422 (4.31134e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629699 (3.24603e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622139 (1.83496e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.10154294967651367 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244646566 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107313 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166868 (0.0241823% change) linmin: converged after 4 iterations. iteration 4: trace = 4.110889360751742 (0.00728306% change) linmin: converged after 6 iterations. iteration 5: trace = 4.11080703996452 (0.00200253% change) linmin: converged after 7 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801953 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787365 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125225 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910481 (5.38765e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738061 (4.19433e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.110777242727878 (2.47714e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.10577893257141113 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254176 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388635 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449423 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.09948996603966 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533704 (3.67352e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.099489964290493 (5.93271e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.099489964275826 (3.57785e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.09420633316040039 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.08011930367582 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385525 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 4 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245483 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.07945290434498 (1.02711e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.079452897007465 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879314 (2.76545e-08% change) linmin: converged after 5 iterations. iteration 10: trace = 4.079452895806834 (1.7767e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.09089779853820801 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550774 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231338 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 5 iterations. iteration 4: trace = 4.068777004347965 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591241 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.068759282973239 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.068759276139259 (3.34843e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.068759276129624 (2.36803e-10% change) linmin: converged after 17 iterations. iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.09796786308288574 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.08041013089164 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235417 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324658 (0.00232088% change) linmin: converged after 5 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.075526949476022 (7.83823e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.075526949369352 (2.61734e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.075526949350733 (4.56846e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.10435724258422852 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043243 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815202 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549152 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589705 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664407 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982815 (0.00206873% change) linmin: converged after 5 iterations. iteration 7: trace = 4.092151257465511 (0.00014336% change) linmin: converged after 5 iterations. iteration 8: trace = 4.0921506669632 (1.44301e-05% change) linmin: converged after 29 iterations. iteration 9: trace = 4.092150601221075 (1.60654e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.09215044281785 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447509 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87883e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.092150433621977 (1.38522e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.12005400657653809 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496078681969 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161341909401 (0.908868% change) linmin: converged after 5 iterations. iteration 3: trace = 4.060628566573646 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416799578 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154678076 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139224234 (0.011194% change) linmin: converged after 11 iterations. iteration 7: trace = 4.046656969292219 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828279984 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979405 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.04665226257679 (3.4696e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 4.046652203574181 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.04665218541018 (4.48865e-07% change) linmin: converged after 23 iterations. iteration 13: trace = 4.046652183788301 (4.00795e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.046652183683065 (2.60056e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.046652183677345 (1.41348e-10% change) linmin: converged after 16 iterations. iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.1273963451385498 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770394939 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188745 (0.123031% change) linmin: converged after 7 iterations. iteration 3: trace = 4.04457112881917 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705128 (0.0011425% change) linmin: converged after 5 iterations. iteration 5: trace = 4.044514961032788 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485701 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.04451325570943 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.044513236602917 (4.94069e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.044513236418492 (4.55988e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.044513236398149 (5.02974e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.09401440620422363 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840204 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070052 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394074 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532734 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601677 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030414 (2.34771e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.113415260853634 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902214 (2.31297e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.113415259769443 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756536 (3.13778e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.09383440017700195 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668811 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052032 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311717 (0.00157809% change) linmin: converged after 5 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 33 iterations. iteration 9: trace = 4.240749647343285 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492671 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080627 (9.71629e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034733 (1.08221e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.240749642029137 (1.31968e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.11299252510070801 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690654 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122198 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936335 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127845 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382419 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369238089 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462298 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817305982 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398593 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837435 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003573 (0.00173939% change) linmin: converged after 5 iterations. iteration 12: trace = 4.373725631015397 (0.000243499% change) linmin: converged after 4 iterations. iteration 13: trace = 4.373723713248079 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.373723043717632 (1.5308e-05% change) linmin: converged after 9 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078789 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618466 (3.39437e-06% change) large trace change predicted (8.38717e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.373721914772871 (8.38749e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.373721775011068 (3.19549e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750853678 (5.5233e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706459 (1.63413e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721741956021 (4.00217e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.373721741656272 (6.8534e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.37372174151351 (3.26409e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.373721741466444 (1.0761e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 4.373721741452075 (3.28549e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 4.373721741432764 (4.41518e-10% change) large trace change predicted (8.94441e-10%) linmin: converged after 10 iterations. iteration 28: trace = 4.373721741393643 (8.94449e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 4.373721741340017 (1.22611e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.37372174131413 (5.91872e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.37372174130407 (2.29999e-10% change) large trace change predicted (8.8515e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.373721741265362 (8.85026e-10% change) large trace change predicted (1.78977e-09%) linmin: converged after 3 iterations. iteration 33: trace = 4.373721741187082 (1.78977e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 4.373721741036555 (3.44162e-09% change) large trace change predicted (3.16488e-08%) linmin: converged after 4 iterations. iteration 35: trace = 4.373721739652334 (3.16486e-08% change) large trace change predicted (1.81295e-07%) linmin: converged after 4 iterations. iteration 36: trace = 4.373721731723725 (1.81278e-07% change) large trace change predicted (7.42215e-07%) linmin: converged after 4 iterations. iteration 37: trace = 4.373721699293694 (7.41474e-07% change) large trace change predicted (1.81306e-06%) linmin: converged after 7 iterations. iteration 38: trace = 4.373721620557427 (1.80021e-06% change) large trace change predicted (3.99382e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449599707 (3.90875e-06% change) linmin: converged after 16 iterations. iteration 40: trace = 4.373721351488157 (2.24321e-06% change) linmin: converged after 9 iterations. iteration 41: trace = 4.373721289289993 (1.42209e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 4.373721192919876 (2.20339e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721122950544 (1.59977e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.37372102588002 (2.2194e-06% change) linmin: converged after 6 iterations. iteration 45: trace = 4.373720919585161 (2.43031e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 4.373720871332154 (1.10325e-06% change) linmin: converged after 10 iterations. iteration 47: trace = 4.373720860378917 (2.50433e-07% change) linmin: converged after 13 iterations. iteration 48: trace = 4.373720857832792 (5.82142e-08% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720856551008 (2.93065e-08% change) linmin: converged after 4 iterations. iteration 50: trace = 4.373720854512562 (4.66067e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.373720852662255 (4.23051e-08% change) linmin: converged after 18 iterations. iteration 52: trace = 4.373720851889837 (1.76604e-08% change) linmin: converged after 7 iterations. iteration 53: trace = 4.373720851692727 (4.50671e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644104 (1.1117e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851631798 (2.81376e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.37372085162005 (2.68603e-10% change) linmin: converged after 28 iterations. iteration 57: trace = 4.373720851604448 (3.56716e-10% change) linmin: converged after 16 iterations. iteration 58: trace = 4.373720851597927 (1.49095e-10% change) linmin: converged after 16 iterations. iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 .elapsed time for k point: 0.36763978004455566 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% total elapsed time for run: 2.284226417541504 done /tmp/meepuUBjUW/test_run_tm-0: 2.28s /tmp/meepuUBjUW/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013663768768310547 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.33292078971862793 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9104504585266113 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.19680333137512207 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.18580842018127441 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.21874260902404785 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.33619070053100586 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.25598978996276855 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.21116852760314941 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.18608832359313965 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.17821025848388672 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.1740884780883789 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.14572668075561523 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1516246795654297 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.22196555137634277 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.25873470306396484 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5806643962860107 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.555803060531616 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013575553894042969 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.32447028160095215 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9158124923706055 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.20457839965820312 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.18599200248718262 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.21484923362731934 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3320314884185791 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.25281310081481934 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.21891570091247559 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.18170642852783203 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.17860817909240723 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.18321824073791504 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.14330792427062988 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.15989112854003906 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.3152921199798584 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.32173609733581543 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5827791690826416 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.718538999557495 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013687610626220703 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.328519344329834 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9112565517425537 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.20065665245056152 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.18941235542297363 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.21045947074890137 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.33090901374816895 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2511005401611328 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.21088480949401855 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.18963909149169922 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.17401933670043945 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.18188786506652832 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.13724637031555176 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.15944766998291016 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.22167134284973145 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2584538459777832 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.5787169933319092 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.536811113357544 done /tmp/meepuUBjUW/test_set_eigenvectors-0: 13.81s /tmp/meepuUBjUW/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.005509853363037109 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 16.67252686302908 (193.833% change) linmin: converged after 9 iterations. iteration 2: trace = 7.425605351690049 (76.7439% change) linmin: converged after 5 iterations. iteration 3: trace = 6.413529606638005 (14.6263% change) linmin: converged after 5 iterations. iteration 4: trace = 5.997870542994756 (6.69802% change) linmin: converged after 6 iterations. iteration 5: trace = 5.79224276091566 (3.48814% change) linmin: converged after 6 iterations. iteration 6: trace = 5.704204927742786 (1.53157% change) linmin: converged after 5 iterations. iteration 7: trace = 5.662063364719285 (0.74152% change) linmin: converged after 5 iterations. iteration 8: trace = 5.645383220801679 (0.295029% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636808514863864 (0.152004% change) linmin: converged after 5 iterations. iteration 10: trace = 5.632389510950197 (0.0784262% change) linmin: converged after 4 iterations. iteration 11: trace = 5.630973803281849 (0.0251383% change) linmin: converged after 4 iterations. iteration 12: trace = 5.630304289828852 (0.0118905% change) linmin: converged after 4 iterations. iteration 13: trace = 5.629948267451506 (0.00632352% change) linmin: converged after 5 iterations. iteration 14: trace = 5.629707527279325 (0.00427616% change) linmin: converged after 4 iterations. iteration 15: trace = 5.629494146577414 (0.00379033% change) linmin: converged after 5 iterations. iteration 16: trace = 5.629334770611416 (0.00283113% change) linmin: converged after 6 iterations. iteration 17: trace = 5.629195179750856 (0.00247974% change) linmin: converged after 5 iterations. iteration 18: trace = 5.629089143354889 (0.0018837% change) linmin: converged after 5 iterations. iteration 19: trace = 5.629015210328871 (0.00131342% change) linmin: converged after 6 iterations. iteration 20: trace = 5.628955227218207 (0.00106561% change) linmin: converged after 11 iterations. iteration 21: trace = 5.628918234635336 (0.000657186% change) linmin: converged after 4 iterations. iteration 22: trace = 5.628892160266109 (0.000463223% change) linmin: converged after 4 iterations. iteration 23: trace = 5.628877918707712 (0.000253009% change) linmin: converged after 5 iterations. iteration 24: trace = 5.62887054067606 (0.000131075% change) linmin: converged after 5 iterations. iteration 25: trace = 5.628866521545895 (7.14021e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 5.628864944361903 (2.80196e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 5.628864428335529 (9.1675e-06% change) linmin: converged after 7 iterations. iteration 28: trace = 5.62886425401095 (3.09698e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 5.628864199206571 (9.73631e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 5.628864180871537 (3.25732e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 5.628864174355813 (1.15756e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 5.628864171803267 (4.53475e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.628864170678066 (1.99898e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 5.628864170196785 (8.55023e-09% change) linmin: converged after 15 iterations. iteration 35: trace = 5.628864169964668 (4.12368e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 5.628864169778796 (3.30212e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.628864169602519 (3.13167e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.62886416940592 (3.4927e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 5.628864169253106 (2.71482e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.628864169153889 (1.76264e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628864169097572 (1.00051e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.628864169061677 (6.37692e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 5.628864169036878 (4.40565e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628864169022913 (2.48093e-10% change) linmin: converged after 6 iterations. iteration 45: trace = 5.628864169016424 (1.15281e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 5.628864169013057 (5.98182e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.2852916717529297 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 14 iterations. iteration 1: trace = 5.662598383811167 (0.236431% change) linmin: converged after 4 iterations. iteration 2: trace = 5.655498054240403 (0.125469% change) linmin: converged after 3 iterations. iteration 3: trace = 5.653351656918011 (0.0379596% change) linmin: converged after 3 iterations. iteration 4: trace = 5.652109656699427 (0.0219717% change) linmin: converged after 4 iterations. iteration 5: trace = 5.651455832959613 (0.0115685% change) linmin: converged after 3 iterations. iteration 6: trace = 5.650961670354926 (0.00874437% change) linmin: converged after 4 iterations. iteration 7: trace = 5.650673951221756 (0.00509164% change) linmin: converged after 3 iterations. iteration 8: trace = 5.650503338619175 (0.00301938% change) linmin: converged after 3 iterations. iteration 9: trace = 5.650430417719853 (0.00129053% change) linmin: converged after 4 iterations. iteration 10: trace = 5.650387262435861 (0.000763755% change) linmin: converged after 6 iterations. iteration 11: trace = 5.650369556589035 (0.000313357% change) linmin: converged after 5 iterations. iteration 12: trace = 5.650362805815968 (0.000119475% change) linmin: converged after 3 iterations. iteration 13: trace = 5.650360400668589 (4.25663e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.650359822550923 (1.02315e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.650359570379916 (4.46292e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.650359460721299 (1.94074e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.650359418358622 (7.49734e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 5.650359402314912 (2.83941e-07% change) linmin: converged after 38 iterations. iteration 19: trace = 5.650359397610181 (8.32643e-08% change) linmin: converged after 13 iterations. iteration 20: trace = 5.650359395697382 (3.38527e-08% change) linmin: converged after 7 iterations. iteration 21: trace = 5.650359394584283 (1.96996e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.650359393286076 (2.29757e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.650359391538196 (3.09339e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 5.650359389901621 (2.89641e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.650359388475083 (2.52469e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 5.650359386379993 (3.70789e-08% change) large trace change predicted (9.58039e-08%) linmin: converged after 5 iterations. iteration 27: trace = 5.650359380966579 (9.58065e-08% change) near maximum in trace linmin: converged after 15 iterations. iteration 28: trace = 5.650291267622267 (0.00120548% change) linmin: converged after 6 iterations. iteration 29: trace = 5.650291192580686 (1.3281e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.65029111828439 (1.31491e-06% change) linmin: converged after 6 iterations. iteration 31: trace = 5.650291044755035 (1.30134e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.650290972006891 (1.28751e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.650290900047981 (1.27354e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.650290828881055 (1.25953e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.650290758504497 (1.24554e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.650290688913006 (1.23164e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 5.650290620098408 (1.21789e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.650290552050093 (1.20433e-06% change) linmin: converged after 18 iterations. iteration 39: trace = 5.650290484755575 (1.19099e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 5.650290418200888 (1.1779e-06% change) linmin: converged after 6 iterations. iteration 41: trace = 5.650290352370963 (1.16507e-06% change) linmin: converged after 9 iterations. iteration 42: trace = 5.650290287249877 (1.15253e-06% change) linmin: converged after 13 iterations. iteration 43: trace = 5.650290222821092 (1.14027e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 5.650290159067736 (1.12832e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 5.650290095972685 (1.11667e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.650290033518802 (1.10532e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.650289971688902 (1.09428e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.650289910466009 (1.08354e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.650289849833287 (1.07309e-06% change) linmin: converged after 8 iterations. iteration 50: trace = 5.650289789774213 (1.06294e-06% change) linmin: converged after 13 iterations. iteration 51: trace = 5.650289730272561 (1.05307e-06% change) linmin: converged after 8 iterations. iteration 52: trace = 5.650289671296088 (1.04378e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 5.650289612861914 (1.03418e-06% change) linmin: converged after 8 iterations. iteration 54: trace = 5.650289554938581 (1.02514e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.650289497495159 (1.01665e-06% change) linmin: converged after 13 iterations. iteration 56: trace = 5.650289440549649 (1.00783e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 5.650289384071982 (9.99554e-07% change) linmin: converged after 5 iterations. iteration 58: trace = 5.650289328048608 (9.91513e-07% change) linmin: converged after 11 iterations. iteration 59: trace = 5.650289272466417 (9.83705e-07% change) linmin: converged after 7 iterations. iteration 60: trace = 5.650289217312721 (9.76122e-07% change) linmin: converged after 8 iterations. iteration 61: trace = 5.65028916256365 (9.68961e-07% change) linmin: converged after 13 iterations. iteration 62: trace = 5.650289108230337 (9.61602e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 5.650289054289503 (9.54656e-07% change) linmin: converged after 11 iterations. iteration 64: trace = 5.650289000730409 (9.479e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 5.650288947538981 (9.41393e-07% change) linmin: converged after 7 iterations. iteration 66: trace = 5.650288894702843 (9.35105e-07% change) linmin: converged after 11 iterations. iteration 67: trace = 5.650288842216428 (9.28916e-07% change) linmin: converged after 5 iterations. iteration 68: trace = 5.65028879007867 (9.22745e-07% change) linmin: converged after 5 iterations. iteration 69: trace = 5.650288738271742 (9.1689e-07% change) resetting CG direction... large trace change predicted (0.0219511%) linmin: converged after 4 iterations. iteration 70: trace = 5.64903032302802 (0.0222742% change) linmin: converged after 3 iterations. iteration 71: trace = 5.648291212742171 (0.0130847% change) linmin: converged after 4 iterations. iteration 72: trace = 5.647952501326173 (0.00599689% change) linmin: converged after 4 iterations. iteration 73: trace = 5.647729842650739 (0.00394237% change) linmin: converged after 4 iterations. iteration 74: trace = 5.647486194152222 (0.00431419% change) linmin: converged after 4 iterations. iteration 75: trace = 5.647157356579553 (0.00582289% change) linmin: converged after 4 iterations. iteration 76: trace = 5.646835731077392 (0.00569551% change) linmin: converged after 4 iterations. iteration 77: trace = 5.646550214966825 (0.00505634% change) linmin: converged after 4 iterations. iteration 78: trace = 5.646220512186881 (0.00583918% change) large trace change predicted (0.0119209%) linmin: converged after 4 iterations. iteration 79: trace = 5.64551507554342 (0.0124947% change) large trace change predicted (0.0250175%) linmin: converged after 4 iterations. iteration 80: trace = 5.644058656681537 (0.0258011% change) linmin: converged after 7 iterations. iteration 81: trace = 5.642273131390932 (0.0316405% change) linmin: converged after 5 iterations. iteration 82: trace = 5.640697904059197 (0.0279222% change) linmin: converged after 7 iterations. iteration 83: trace = 5.63984485797904 (0.0151242% change) linmin: converged after 4 iterations. iteration 84: trace = 5.639288313336282 (0.00986857% change) linmin: converged after 4 iterations. iteration 85: trace = 5.638902602410139 (0.00683994% change) linmin: converged after 3 iterations. iteration 86: trace = 5.638726948718296 (0.00311508% change) linmin: converged after 3 iterations. iteration 87: trace = 5.638638858011665 (0.00156226% change) linmin: converged after 3 iterations. iteration 88: trace = 5.638595369382163 (0.000771264% change) linmin: converged after 3 iterations. iteration 89: trace = 5.638570484323941 (0.000441335% change) linmin: converged after 3 iterations. iteration 90: trace = 5.638555861747498 (0.000259332% change) linmin: converged after 3 iterations. iteration 91: trace = 5.638546191837316 (0.000171496% change) linmin: converged after 4 iterations. iteration 92: trace = 5.638539563345949 (0.000117557% change) linmin: converged after 3 iterations. iteration 93: trace = 5.638535838298758 (6.60641e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 5.638534036457183 (3.19558e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 5.638532920712363 (1.97879e-05% change) linmin: converged after 7 iterations. iteration 96: trace = 5.638532011416613 (1.61265e-05% change) linmin: converged after 3 iterations. iteration 97: trace = 5.638531072732994 (1.66477e-05% change) linmin: converged after 6 iterations. iteration 98: trace = 5.638530025006578 (1.85816e-05% change) linmin: converged after 3 iterations. iteration 99: trace = 5.638528496977349 (2.70998e-05% change) linmin: converged after 5 iterations. iteration 100: trace = 5.638526248322741 (3.98802e-05% change) linmin: converged after 5 iterations. iteration 101: trace = 5.638523965074012 (4.04937e-05% change) linmin: converged after 5 iterations. iteration 102: trace = 5.638521697364039 (4.02182e-05% change) linmin: converged after 13 iterations. iteration 103: trace = 5.638518648988574 (5.40634e-05% change) linmin: converged after 10 iterations. iteration 104: trace = 5.638516668758926 (3.51197e-05% change) linmin: converged after 3 iterations. iteration 105: trace = 5.638515788106401 (1.56185e-05% change) linmin: converged after 3 iterations. iteration 106: trace = 5.638515475587027 (5.54258e-06% change) linmin: converged after 5 iterations. iteration 107: trace = 5.638515353510284 (2.16505e-06% change) linmin: converged after 12 iterations. iteration 108: trace = 5.638515290917348 (1.1101e-06% change) linmin: converged after 2 iterations. iteration 109: trace = 5.638515251394711 (7.0094e-07% change) linmin: converged after 17 iterations. iteration 110: trace = 5.638515230497352 (3.70618e-07% change) linmin: converged after 4 iterations. iteration 111: trace = 5.638515218975298 (2.04346e-07% change) linmin: converged after 25 iterations. iteration 112: trace = 5.638515214529265 (7.88511e-08% change) linmin: converged after 16 iterations. iteration 113: trace = 5.638515212755617 (3.1456e-08% change) linmin: converged after 4 iterations. iteration 114: trace = 5.638515211745045 (1.79227e-08% change) linmin: converged after 14 iterations. iteration 115: trace = 5.638515210945735 (1.41759e-08% change) linmin: converged after 11 iterations. iteration 116: trace = 5.638515210024359 (1.63408e-08% change) linmin: converged after 6 iterations. iteration 117: trace = 5.638515209011968 (1.79549e-08% change) linmin: converged after 3 iterations. iteration 118: trace = 5.638515207794927 (2.15844e-08% change) linmin: converged after 6 iterations. iteration 119: trace = 5.638515206516135 (2.26796e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 5.638515205038356 (2.62087e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 5.638515202931114 (3.73723e-08% change) linmin: converged after 6 iterations. iteration 122: trace = 5.638515200854903 (3.68219e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 5.638515199087083 (3.13526e-08% change) linmin: converged after 5 iterations. iteration 124: trace = 5.638515198023093 (1.887e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 5.638515197266766 (1.34136e-08% change) linmin: converged after 20 iterations. iteration 126: trace = 5.638515196709655 (9.88047e-09% change) linmin: converged after 5 iterations. iteration 127: trace = 5.638515196250812 (8.13765e-09% change) linmin: converged after 15 iterations. iteration 128: trace = 5.638515195990669 (4.61368e-09% change) linmin: converged after 7 iterations. iteration 129: trace = 5.638515195870576 (2.12987e-09% change) linmin: converged after 9 iterations. iteration 130: trace = 5.638515195810722 (1.06151e-09% change) linmin: converged after 8 iterations. iteration 131: trace = 5.638515195782563 (4.99417e-10% change) linmin: converged after 18 iterations. iteration 132: trace = 5.63851519576964 (2.29176e-10% change) linmin: converged after 3 iterations. iteration 133: trace = 5.63851519576392 (1.01459e-10% change) linmin: converged after 4 iterations. iteration 134: trace = 5.63851519575991 (7.11045e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 elapsed time for k point: 0.9821181297302246 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.610243836776812 (0.416683% change) linmin: converged after 3 iterations. iteration 2: trace = 5.599604920322789 (0.189814% change) linmin: converged after 4 iterations. iteration 3: trace = 5.596604913833221 (0.0535897% change) linmin: converged after 3 iterations. iteration 4: trace = 5.595662117729327 (0.0168473% change) linmin: converged after 3 iterations. iteration 5: trace = 5.595313265090729 (0.00623454% change) linmin: converged after 4 iterations. iteration 6: trace = 5.595227399874204 (0.0015346% change) linmin: converged after 14 iterations. iteration 7: trace = 5.59519831393708 (0.000519836% change) linmin: converged after 4 iterations. iteration 8: trace = 5.595186325956774 (0.000214255% change) linmin: converged after 3 iterations. iteration 9: trace = 5.595182011684434 (7.71069e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.595180202268774 (3.23388e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.595179604043117 (1.06918e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.595179391571373 (3.79741e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 5.595179311138063 (1.43755e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.595179285473619 (4.58688e-07% change) linmin: converged after 24 iterations. iteration 15: trace = 5.595179276623078 (1.58182e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.595179273689021 (5.2439e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.595179272904638 (1.40189e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.595179272581779 (5.77031e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.595179272336521 (4.38338e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.595179272188361 (2.648e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 5.595179272063358 (2.23411e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.595179271964549 (1.76598e-09% change) linmin: converged after 6 iterations. iteration 23: trace = 5.595179271878047 (1.546e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.595179271843309 (6.20864e-10% change) linmin: converged after 12 iterations. iteration 25: trace = 5.59517927182701 (2.91304e-10% change) linmin: converged after 18 iterations. iteration 26: trace = 5.595179271819191 (1.39739e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.595179271816558 (4.70664e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 elapsed time for k point: 0.2007460594177246 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.589278769396838 (0.288852% change) linmin: converged after 4 iterations. iteration 2: trace = 5.582217264358345 (0.12642% change) linmin: converged after 4 iterations. iteration 3: trace = 5.579630100765367 (0.0463573% change) linmin: converged after 4 iterations. iteration 4: trace = 5.578713954553674 (0.0164208% change) linmin: converged after 4 iterations. iteration 5: trace = 5.578208746315653 (0.00905641% change) linmin: converged after 4 iterations. iteration 6: trace = 5.578027303291385 (0.00325276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.577942072907685 (0.00152798% change) linmin: converged after 3 iterations. iteration 8: trace = 5.577913363825518 (0.000514691% change) linmin: converged after 3 iterations. iteration 9: trace = 5.577905893250987 (0.000133931% change) linmin: converged after 4 iterations. iteration 10: trace = 5.577903978777093 (3.43225e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.577903462384925 (9.25782e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.57790335182199 (1.98216e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.577903319845038 (5.73279e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.577903310566395 (1.66346e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.577903307418651 (5.64324e-08% change) linmin: converged after 20 iterations. iteration 16: trace = 5.577903305861661 (2.79135e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.577903305185309 (1.21256e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.577903304857375 (5.87916e-09% change) linmin: converged after 13 iterations. iteration 19: trace = 5.57790330471606 (2.53347e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.577903304686394 (5.31865e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.577903304676377 (1.79581e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.577903304673043 (5.97596e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 elapsed time for k point: 0.16052985191345215 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.607466984195186 (0.245114% change) linmin: converged after 5 iterations. iteration 2: trace = 5.600508098174442 (0.124177% change) linmin: converged after 4 iterations. iteration 3: trace = 5.597121607947972 (0.0604858% change) linmin: converged after 4 iterations. iteration 4: trace = 5.595549314424401 (0.0280951% change) linmin: converged after 4 iterations. iteration 5: trace = 5.594551452727512 (0.0178347% change) linmin: converged after 4 iterations. iteration 6: trace = 5.594215569329972 (0.00600394% change) linmin: converged after 4 iterations. iteration 7: trace = 5.594087068851766 (0.00229705% change) linmin: converged after 4 iterations. iteration 8: trace = 5.594049548640577 (0.000670714% change) linmin: converged after 3 iterations. iteration 9: trace = 5.594038609820747 (0.000195544% change) linmin: converged after 2 iterations. iteration 10: trace = 5.594035067085783 (6.33306e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.594033390558402 (2.99699e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.594032551741144 (1.49949e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.594031999184887 (9.8776e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.594031699982709 (5.3486e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 5.594031556072584 (2.57257e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.594031485788911 (1.2564e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.594031455144977 (5.47797e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.594031432706867 (4.01108e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 5.594031422730698 (1.78336e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.594031418912026 (6.82633e-08% change) linmin: converged after 15 iterations. iteration 21: trace = 5.59403141767742 (2.20701e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.594031417255707 (7.53863e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.594031417032634 (3.9877e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.594031416919611 (2.02041e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 5.594031416877138 (7.5925e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.594031416862819 (2.55973e-10% change) linmin: converged after 7 iterations. iteration 27: trace = 5.594031416858383 (7.93069e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 elapsed time for k point: 0.20550251007080078 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.658952488023719 (0.227165% change) linmin: converged after 5 iterations. iteration 2: trace = 5.651172639068033 (0.137573% change) linmin: converged after 5 iterations. iteration 3: trace = 5.64697745294418 (0.0742632% change) linmin: converged after 4 iterations. iteration 4: trace = 5.644684383770696 (0.0406153% change) linmin: converged after 4 iterations. iteration 5: trace = 5.643239756073964 (0.025596% change) linmin: converged after 4 iterations. iteration 6: trace = 5.642724507560135 (0.00913078% change) linmin: converged after 4 iterations. iteration 7: trace = 5.642475213056803 (0.00441808% change) linmin: converged after 4 iterations. iteration 8: trace = 5.642293858955272 (0.00321414% change) linmin: converged after 4 iterations. iteration 9: trace = 5.642022882947465 (0.0048027% change) large trace change predicted (0.0102229%) linmin: converged after 4 iterations. iteration 10: trace = 5.641446879082053 (0.0102097% change) linmin: converged after 5 iterations. iteration 11: trace = 5.640440099441923 (0.0178477% change) linmin: converged after 5 iterations. iteration 12: trace = 5.639322938644529 (0.0198082% change) linmin: converged after 4 iterations. iteration 13: trace = 5.638404375778331 (0.0162899% change) linmin: converged after 4 iterations. iteration 14: trace = 5.637799416718211 (0.0107298% change) linmin: converged after 3 iterations. iteration 15: trace = 5.637559421782496 (0.00425698% change) linmin: converged after 3 iterations. iteration 16: trace = 5.63747344756972 (0.00152504% change) linmin: converged after 3 iterations. iteration 17: trace = 5.637440210805517 (0.00058957% change) linmin: converged after 3 iterations. iteration 18: trace = 5.637423473771829 (0.000296891% change) linmin: converged after 3 iterations. iteration 19: trace = 5.637418827785591 (8.24133e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.637417051137828 (3.15153e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 5.637416175196377 (1.5538e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 5.637415738685664 (7.7431e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.637415488828052 (4.43213e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.63741535483237 (2.3769e-06% change) linmin: converged after 15 iterations. iteration 25: trace = 5.637415263728912 (1.61605e-06% change) linmin: converged after 35 iterations. iteration 26: trace = 5.637415208122748 (9.86377e-07% change) linmin: converged after 24 iterations. iteration 27: trace = 5.637415147804388 (1.06996e-06% change) large trace change predicted (2.89728e-06%) linmin: converged after 5 iterations. iteration 28: trace = 5.637414984466684 (2.89739e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.637414701464717 (5.02007e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.637414479206141 (3.94256e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.637414382457989 (1.71618e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.637414352167232 (5.37316e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 5.637414342883594 (1.64679e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 5.637414340072162 (4.98709e-08% change) linmin: converged after 5 iterations. iteration 35: trace = 5.637414339312542 (1.34746e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 5.63741433891448 (7.06107e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 5.637414338639296 (4.88139e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.63741433845614 (3.24893e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 5.637414338381272 (1.32806e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 5.637414338346884 (6.09989e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 5.637414338317711 (5.17491e-10% change) linmin: converged after 8 iterations. iteration 42: trace = 5.637414338273104 (7.91267e-10% change) linmin: converged after 15 iterations. iteration 43: trace = 5.63741433821137 (1.09509e-09% change) linmin: converged after 20 iterations. iteration 44: trace = 5.637414338111031 (1.77987e-09% change) linmin: converged after 5 iterations. iteration 45: trace = 5.63741433801738 (1.66125e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 5.637414337962035 (9.81746e-10% change) linmin: converged after 8 iterations. iteration 47: trace = 5.637414337944453 (3.11872e-10% change) linmin: converged after 13 iterations. iteration 48: trace = 5.637414337940057 (7.79876e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 elapsed time for k point: 0.34822773933410645 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.58845996120054 (1.62524% change) linmin: converged after 5 iterations. iteration 2: trace = 5.538961403002229 (0.889668% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527070270349131 (0.214912% change) linmin: converged after 3 iterations. iteration 4: trace = 5.522342887661988 (0.085568% change) linmin: converged after 3 iterations. iteration 5: trace = 5.520392483599115 (0.0353247% change) linmin: converged after 4 iterations. iteration 6: trace = 5.519566528529973 (0.014963% change) linmin: converged after 4 iterations. iteration 7: trace = 5.519192001279461 (0.00678568% change) linmin: converged after 4 iterations. iteration 8: trace = 5.519052775913094 (0.0025226% change) linmin: converged after 4 iterations. iteration 9: trace = 5.518995901845807 (0.00103051% change) linmin: converged after 4 iterations. iteration 10: trace = 5.518965434921136 (0.000552039% change) linmin: converged after 3 iterations. iteration 11: trace = 5.518951031752566 (0.000260976% change) linmin: converged after 5 iterations. iteration 12: trace = 5.518944394189483 (0.000120269% change) linmin: converged after 5 iterations. iteration 13: trace = 5.518942193535247 (3.98746e-05% change) linmin: converged after 15 iterations. iteration 14: trace = 5.518941629485422 (1.02203e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.51894144352032 (3.36958e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.518941398225257 (8.2072e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 5.518941383071711 (2.74573e-07% change) linmin: converged after 12 iterations. iteration 18: trace = 5.518941376509176 (1.18909e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.518941374239362 (4.11277e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.518941372978494 (2.28462e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.518941372520785 (8.29343e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.518941372298925 (4.01997e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.51894137216323 (2.45871e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.518941372061886 (1.83629e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.518941371930683 (2.37731e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 5.518941371759545 (3.10093e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.518941371614912 (2.62066e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 5.518941371516163 (1.78927e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 5.518941371440128 (1.37771e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.518941371369826 (1.27383e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 5.51894137133035 (7.15282e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 5.518941371316815 (2.45262e-10% change) linmin: converged after 18 iterations. iteration 33: trace = 5.518941371312549 (7.7296e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 elapsed time for k point: 0.25228238105773926 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.358965069231854 (0.494938% change) linmin: converged after 5 iterations. iteration 2: trace = 5.347410133100355 (0.215852% change) linmin: converged after 4 iterations. iteration 3: trace = 5.344694532958302 (0.0507964% change) linmin: converged after 4 iterations. iteration 4: trace = 5.343549261595155 (0.0214305% change) linmin: converged after 5 iterations. iteration 5: trace = 5.342917059986708 (0.0118318% change) linmin: converged after 4 iterations. iteration 6: trace = 5.342682889492325 (0.00438292% change) linmin: converged after 4 iterations. iteration 7: trace = 5.34257673377283 (0.00198696% change) linmin: converged after 4 iterations. iteration 8: trace = 5.34254020353794 (0.000683759% change) linmin: converged after 4 iterations. iteration 9: trace = 5.342529450593277 (0.00020127% change) linmin: converged after 5 iterations. iteration 10: trace = 5.342525583052339 (7.23916e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.342524762095747 (1.53665e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.342524528418492 (4.37391e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.34252447592385 (9.82581e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.342524468019509 (1.47951e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.342524466444304 (2.94843e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.342524466019545 (7.95053e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.342524465855403 (3.07236e-09% change) linmin: converged after 18 iterations. iteration 18: trace = 5.342524465750503 (1.96349e-09% change) linmin: converged after 8 iterations. iteration 19: trace = 5.342524465692871 (1.07874e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.342524465655599 (6.97639e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.342524465621588 (6.36609e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 5.342524465595665 (4.85225e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.342524465572257 (4.38144e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.342524465547465 (4.64062e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.342524465528069 (3.6305e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.342524465517736 (1.93412e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.342524465514544 (5.97325e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 elapsed time for k point: 0.20145058631896973 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.205843851365977 (0.260823% change) linmin: converged after 3 iterations. iteration 2: trace = 5.201250999979981 (0.0882639% change) linmin: converged after 4 iterations. iteration 3: trace = 5.200149842129167 (0.0211733% change) linmin: converged after 4 iterations. iteration 4: trace = 5.199802675803611 (0.00667631% change) linmin: converged after 4 iterations. iteration 5: trace = 5.199636452166119 (0.00319678% change) linmin: converged after 11 iterations. iteration 6: trace = 5.199588777496309 (0.000916889% change) linmin: converged after 3 iterations. iteration 7: trace = 5.199568860655153 (0.000383047% change) linmin: converged after 4 iterations. iteration 8: trace = 5.199559960602095 (0.000171169% change) linmin: converged after 4 iterations. iteration 9: trace = 5.199557315513331 (5.08714e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.199556443338575 (1.6774e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.199556282069325 (3.1016e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.199556247771246 (6.59635e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.199556240158948 (1.46403e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.199556238716337 (2.77449e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.199556238427382 (5.55729e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.199556238339889 (1.6827e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.199556238303392 (7.01926e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.199556238269373 (6.54268e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.199556238207714 (1.18585e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.199556238136205 (1.37529e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.19955623808818 (9.23648e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.199556238072939 (2.93124e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.199556238067979 (9.53848e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 elapsed time for k point: 0.17200398445129395 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.113888636560835 (0.193819% change) linmin: converged after 3 iterations. iteration 2: trace = 5.111058653692732 (0.0553545% change) linmin: converged after 4 iterations. iteration 3: trace = 5.110360041817678 (0.0136696% change) linmin: converged after 4 iterations. iteration 4: trace = 5.110178387935674 (0.00355468% change) linmin: converged after 3 iterations. iteration 5: trace = 5.110110328941208 (0.00133184% change) linmin: converged after 3 iterations. iteration 6: trace = 5.110094373675731 (0.00031223% change) linmin: converged after 3 iterations. iteration 7: trace = 5.110090048386217 (8.46421e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.110087943959183 (4.11818e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.110087209667761 (1.43694e-05% change) linmin: converged after 22 iterations. iteration 10: trace = 5.110086882135968 (6.40951e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.110086801162778 (1.58458e-06% change) linmin: converged after 12 iterations. iteration 12: trace = 5.110086778559403 (4.42329e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.110086772372885 (1.21065e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.110086770914102 (2.85471e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.110086770602329 (6.10113e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.110086770517023 (1.66936e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.110086770480933 (7.06255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.1100867704383 (8.343e-10% change) large trace change predicted (2.1347e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.110086770329221 (2.13458e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.110086770238314 (1.77897e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.110086770200718 (7.35716e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.110086770192777 (1.55403e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.110086770190959 (3.55787e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 elapsed time for k point: 0.17225408554077148 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.08296873445709 (0.170848% change) linmin: converged after 4 iterations. iteration 2: trace = 5.080632009848869 (0.0459822% change) linmin: converged after 4 iterations. iteration 3: trace = 5.080034162833817 (0.0117679% change) linmin: converged after 4 iterations. iteration 4: trace = 5.079889067208426 (0.00285623% change) linmin: converged after 4 iterations. iteration 5: trace = 5.079840786284366 (0.000950437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.079830362273212 (0.000205204% change) linmin: converged after 2 iterations. iteration 7: trace = 5.079828547056509 (3.57338e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.079827969475189 (1.13701e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 5.079827856733455 (2.2194e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 5.079827805883459 (1.00102e-06% change) linmin: converged after 6 iterations. iteration 11: trace = 5.079827785437719 (4.02489e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 5.0798277757082 (1.91532e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.079827771842986 (7.60895e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 5.079827770756292 (2.13923e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.07982777053307 (4.39427e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.07982777046622 (1.31598e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.079827770421266 (8.84956e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 5.079827770346474 (1.47235e-09% change) large trace change predicted (3.34423e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.079827770176589 (3.3443e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.079827770098357 (1.54006e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.079827770077138 (4.17703e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.079827770073004 (8.13725e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 elapsed time for k point: 0.16142845153808594 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.146430386813067 (0.331875% change) linmin: converged after 4 iterations. iteration 2: trace = 5.14163854363848 (0.0931534% change) linmin: converged after 4 iterations. iteration 3: trace = 5.14033682432069 (0.0253204% change) linmin: converged after 4 iterations. iteration 4: trace = 5.139958644400264 (0.00735737% change) linmin: converged after 4 iterations. iteration 5: trace = 5.139823079442868 (0.00263751% change) linmin: converged after 5 iterations. iteration 6: trace = 5.139792533516841 (0.000594301% change) linmin: converged after 4 iterations. iteration 7: trace = 5.139787176704381 (0.000104222% change) linmin: converged after 4 iterations. iteration 8: trace = 5.139785473947313 (3.31289e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.139785114467225 (6.99407e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 5.139784968056226 (2.84858e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.139784924164505 (8.5396e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.139784914516126 (1.8772e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.139784912150693 (4.6022e-08% change) linmin: converged after 23 iterations. iteration 14: trace = 5.139784911632526 (1.00815e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.139784911523805 (2.11528e-09% change) linmin: converged after 10 iterations. iteration 16: trace = 5.139784911497796 (5.06041e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 5.139784911491649 (1.19598e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.139784911490271 (2.6802e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 elapsed time for k point: 0.14471817016601562 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.321113856603153 (0.391941% change) linmin: converged after 5 iterations. iteration 2: trace = 5.31273543459494 (0.15758% change) linmin: converged after 4 iterations. iteration 3: trace = 5.309860483627236 (0.054129% change) linmin: converged after 4 iterations. iteration 4: trace = 5.30865460253759 (0.0227128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.30811010417094 (0.0102573% change) linmin: converged after 4 iterations. iteration 6: trace = 5.307980354200669 (0.0024444% change) linmin: converged after 4 iterations. iteration 7: trace = 5.30794615774418 (0.000644248% change) linmin: converged after 4 iterations. iteration 8: trace = 5.307931944059662 (0.000267782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.30792741003905 (8.54198e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 5.30792522016629 (4.12567e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.30792450832233 (1.3411e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.307924276765975 (4.36247e-06% change) linmin: converged after 11 iterations. iteration 13: trace = 5.307924196866908 (1.50528e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.307924180430647 (3.09655e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.307924176022226 (8.30536e-08% change) linmin: converged after 13 iterations. iteration 16: trace = 5.307924174763156 (2.37206e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.307924174428118 (6.31203e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.307924174351104 (1.45092e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.307924174333357 (3.3436e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.3079241743296 (7.07641e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 elapsed time for k point: 0.1464676856994629 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.565278284532583 (0.649197% change) linmin: converged after 5 iterations. iteration 2: trace = 5.539308670153495 (0.467728% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527740928004517 (0.209048% change) linmin: converged after 4 iterations. iteration 4: trace = 5.52119231461106 (0.118538% change) linmin: converged after 4 iterations. iteration 5: trace = 5.517705504983867 (0.0631731% change) linmin: converged after 4 iterations. iteration 6: trace = 5.516689861468588 (0.0184087% change) linmin: converged after 4 iterations. iteration 7: trace = 5.516225756129595 (0.0084131% change) linmin: converged after 3 iterations. iteration 8: trace = 5.515968278409327 (0.00466775% change) linmin: converged after 4 iterations. iteration 9: trace = 5.515821918920194 (0.00265341% change) linmin: converged after 7 iterations. iteration 10: trace = 5.515731715125206 (0.00163538% change) linmin: converged after 3 iterations. iteration 11: trace = 5.515703319343586 (0.000514816% change) linmin: converged after 3 iterations. iteration 12: trace = 5.515694777907218 (0.000154857% change) linmin: converged after 4 iterations. iteration 13: trace = 5.51569198306254 (5.06708e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.515691259672617 (1.31151e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.515690942868781 (5.74368e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.51569084558965 (1.76368e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.515690808935376 (6.64545e-07% change) linmin: converged after 29 iterations. iteration 18: trace = 5.51569079095453 (3.25994e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.51569078272834 (1.49142e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.515690779523196 (5.81096e-08% change) linmin: converged after 8 iterations. iteration 21: trace = 5.515690778440378 (1.96316e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.515690778101877 (6.13705e-09% change) linmin: converged after 20 iterations. iteration 23: trace = 5.515690777997043 (1.90066e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.51569077796538 (5.74047e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.515690777958354 (1.27389e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.515690777956149 (3.99832e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 elapsed time for k point: 0.1985185146331787 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.699370390343353 (1.24468% change) linmin: converged after 5 iterations. iteration 2: trace = 5.647627271005885 (0.912014% change) linmin: converged after 9 iterations. iteration 3: trace = 5.63252208373286 (0.267819% change) linmin: converged after 4 iterations. iteration 4: trace = 5.62552951882026 (0.124223% change) linmin: converged after 4 iterations. iteration 5: trace = 5.622573009119122 (0.052569% change) linmin: converged after 3 iterations. iteration 6: trace = 5.621751214744261 (0.0146171% change) linmin: converged after 3 iterations. iteration 7: trace = 5.621415490821263 (0.00597205% change) linmin: converged after 9 iterations. iteration 8: trace = 5.621208187043257 (0.00368782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.621026602496656 (0.0032304% change) linmin: converged after 4 iterations. iteration 10: trace = 5.620814125083641 (0.00378012% change) linmin: converged after 3 iterations. iteration 11: trace = 5.620629887436438 (0.00327783% change) linmin: converged after 7 iterations. iteration 12: trace = 5.620459427784636 (0.0030328% change) linmin: converged after 3 iterations. iteration 13: trace = 5.620367874577292 (0.00162894% change) linmin: converged after 3 iterations. iteration 14: trace = 5.620331402042908 (0.000648937% change) linmin: converged after 3 iterations. iteration 15: trace = 5.620316079252684 (0.000272632% change) linmin: converged after 4 iterations. iteration 16: trace = 5.62031103997582 (8.96618e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 5.620309265165606 (3.15785e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.620308520932279 (1.32419e-05% change) linmin: converged after 7 iterations. iteration 19: trace = 5.620308198035805 (5.74517e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.620308061374724 (2.43156e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.620308008166845 (9.46708e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.620307991491019 (2.96707e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.620307984134831 (1.30886e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.620307981734177 (4.27139e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 5.620307979992978 (3.09805e-08% change) linmin: converged after 8 iterations. iteration 26: trace = 5.620307977675802 (4.12286e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 5.62030797474326 (5.21776e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.620307972553187 (3.89671e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 5.620307971583566 (1.72521e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 5.620307971162819 (7.48619e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 5.6203079709569 (3.66384e-09% change) linmin: converged after 9 iterations. iteration 32: trace = 5.620307970850902 (1.88598e-09% change) linmin: converged after 10 iterations. iteration 33: trace = 5.620307970806838 (7.84019e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.620307970792952 (2.47064e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 5.620307970788173 (8.50361e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 elapsed time for k point: 0.2587258815765381 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.721397683446691 (0.88116% change) linmin: converged after 5 iterations. iteration 2: trace = 5.690132175108849 (0.547963% change) linmin: converged after 5 iterations. iteration 3: trace = 5.679949561600693 (0.179112% change) linmin: converged after 5 iterations. iteration 4: trace = 5.674005700180744 (0.104701% change) linmin: converged after 5 iterations. iteration 5: trace = 5.670491569909078 (0.061953% change) linmin: converged after 4 iterations. iteration 6: trace = 5.668987199256972 (0.0265333% change) linmin: converged after 4 iterations. iteration 7: trace = 5.668194726503535 (0.0139801% change) linmin: converged after 4 iterations. iteration 8: trace = 5.667868425634297 (0.00575686% change) linmin: converged after 4 iterations. iteration 9: trace = 5.667594186191996 (0.00483861% change) linmin: converged after 5 iterations. iteration 10: trace = 5.667311953686994 (0.00497988% change) large trace change predicted (0.0130659%) linmin: converged after 4 iterations. iteration 11: trace = 5.666577477888356 (0.0129607% change) large trace change predicted (0.253568%) linmin: converged after 10 iterations. iteration 12: trace = 5.662184718098482 (0.0775506% change) linmin: converged after 5 iterations. iteration 13: trace = 5.659157953576945 (0.0534701% change) linmin: converged after 5 iterations. iteration 14: trace = 5.656543771166633 (0.0462045% change) linmin: converged after 5 iterations. iteration 15: trace = 5.653314443339882 (0.0571064% change) linmin: converged after 6 iterations. iteration 16: trace = 5.648626313306814 (0.0829615% change) linmin: converged after 5 iterations. iteration 17: trace = 5.643821363234167 (0.0851002% change) linmin: converged after 6 iterations. iteration 18: trace = 5.638869397509292 (0.0877799% change) linmin: converged after 6 iterations. iteration 19: trace = 5.635889317433015 (0.0528629% change) linmin: converged after 7 iterations. iteration 20: trace = 5.63393489491962 (0.0346842% change) linmin: converged after 4 iterations. iteration 21: trace = 5.632971468037331 (0.0171019% change) linmin: converged after 4 iterations. iteration 22: trace = 5.632161076469179 (0.0143876% change) linmin: converged after 4 iterations. iteration 23: trace = 5.63151624016928 (0.0114498% change) linmin: converged after 4 iterations. iteration 24: trace = 5.630961940296936 (0.0098433% change) linmin: converged after 4 iterations. iteration 25: trace = 5.630499098024456 (0.00821993% change) linmin: converged after 4 iterations. iteration 26: trace = 5.630122619588494 (0.00668664% change) linmin: converged after 3 iterations. iteration 27: trace = 5.629867621832449 (0.00452927% change) linmin: converged after 3 iterations. iteration 28: trace = 5.629720051203279 (0.00262124% change) linmin: converged after 3 iterations. iteration 29: trace = 5.62960577704948 (0.00202986% change) linmin: converged after 3 iterations. iteration 30: trace = 5.629504361168565 (0.00180149% change) linmin: converged after 3 iterations. iteration 31: trace = 5.629394147451477 (0.00195781% change) linmin: converged after 4 iterations. iteration 32: trace = 5.629290226392969 (0.00184606% change) linmin: converged after 4 iterations. iteration 33: trace = 5.629198024981242 (0.0016379% change) linmin: converged after 3 iterations. iteration 34: trace = 5.629133733956371 (0.00114211% change) linmin: converged after 3 iterations. iteration 35: trace = 5.629086222964411 (0.000844023% change) linmin: converged after 3 iterations. iteration 36: trace = 5.629045867564224 (0.000716911% change) linmin: converged after 3 iterations. iteration 37: trace = 5.629010408054762 (0.00062994% change) linmin: converged after 3 iterations. iteration 38: trace = 5.628979004567635 (0.000557888% change) linmin: converged after 3 iterations. iteration 39: trace = 5.628952468539465 (0.000471419% change) linmin: converged after 3 iterations. iteration 40: trace = 5.62893221276024 (0.000359851% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628917703760266 (0.000257758% change) linmin: converged after 4 iterations. iteration 42: trace = 5.628904770131388 (0.000229771% change) linmin: converged after 4 iterations. iteration 43: trace = 5.628894295237322 (0.000186091% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628885548975525 (0.000155382% change) linmin: converged after 4 iterations. iteration 45: trace = 5.628880125203513 (9.63561e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 5.628876480395514 (6.47519e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 5.62887385527329 (4.66367e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 5.628871914587953 (3.44773e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 5.628870173455476 (3.09322e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 5.628868872042864 (2.31203e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 5.628867792579468 (1.91773e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 5.628867067350733 (1.28841e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 5.628866472394931 (1.05697e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 5.62886603893755 (7.70062e-06% change) linmin: converged after 2 iterations. iteration 55: trace = 5.62886573363008 (5.42396e-06% change) linmin: converged after 2 iterations. iteration 56: trace = 5.628865472838771 (4.63311e-06% change) linmin: converged after 3 iterations. iteration 57: trace = 5.628865257055425 (3.83351e-06% change) linmin: converged after 2 iterations. iteration 58: trace = 5.628865067351745 (3.37019e-06% change) linmin: converged after 3 iterations. iteration 59: trace = 5.628864923865831 (2.54911e-06% change) linmin: converged after 7 iterations. iteration 60: trace = 5.628864787389207 (2.42459e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 5.628864676742341 (1.9657e-06% change) linmin: converged after 2 iterations. iteration 62: trace = 5.628864577628915 (1.76081e-06% change) linmin: converged after 2 iterations. iteration 63: trace = 5.628864491681037 (1.52691e-06% change) linmin: converged after 3 iterations. iteration 64: trace = 5.62886442356569 (1.21011e-06% change) linmin: converged after 2 iterations. iteration 65: trace = 5.628864369045474 (9.68583e-07% change) linmin: converged after 6 iterations. iteration 66: trace = 5.628864328357649 (7.22843e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 5.628864294910065 (5.94215e-07% change) linmin: converged after 2 iterations. iteration 68: trace = 5.628864268960117 (4.61016e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 5.628864245245671 (4.21301e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 5.628864210818001 (6.11627e-07% change) linmin: converged after 2 iterations. iteration 71: trace = 5.628864185805083 (4.44369e-07% change) linmin: converged after 3 iterations. iteration 72: trace = 5.62886417649749 (1.65355e-07% change) linmin: converged after 3 iterations. iteration 73: trace = 5.62886417232996 (7.40386e-08% change) linmin: converged after 2 iterations. iteration 74: trace = 5.628864170611668 (3.05264e-08% change) linmin: converged after 3 iterations. iteration 75: trace = 5.628864170125662 (8.63417e-09% change) linmin: converged after 2 iterations. iteration 76: trace = 5.628864169899495 (4.01798e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 5.628864169746248 (2.72252e-09% change) linmin: converged after 5 iterations. iteration 78: trace = 5.628864169565651 (3.20841e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 5.628864169372569 (3.43023e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 5.628864169215252 (2.79482e-09% change) linmin: converged after 8 iterations. iteration 81: trace = 5.628864169115525 (1.7717e-09% change) linmin: converged after 3 iterations. iteration 82: trace = 5.628864169056971 (1.04025e-09% change) linmin: converged after 11 iterations. iteration 83: trace = 5.628864169025799 (5.53796e-10% change) linmin: converged after 3 iterations. iteration 84: trace = 5.628864169015145 (1.89269e-10% change) linmin: converged after 3 iterations. iteration 85: trace = 5.628864169011917 (5.73409e-11% change) Finished solving for bands 2 to 8 after 85 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.5165367126464844 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219018 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067495 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519592 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470327 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911942 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6793887413076379 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8304573822339184 at Vector3<0.3, 0.3, 0.0> to 0.924371683058559 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8957817684117539 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200458 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8957868745330794 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221035 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.097416809585407 at Vector3<0.5, 0.0, 0.0> to 1.128012764811995 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5943440245519592) to band 3 (0.5943566394470327), 0.0021224679106323554% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339184), 1.586071064729172% Gap from band 7 (1.0958021492221035) to band 8 (1.097416809585407), 0.14724114588007364% total elapsed time for run: 4.413516283035278 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013613700866699219 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.65344660078471 (194.937% change) linmin: converged after 7 iterations. iteration 2: trace = 5.609537790902672 (83.5167% change) linmin: converged after 6 iterations. iteration 3: trace = 4.870968737369703 (14.0941% change) linmin: converged after 6 iterations. iteration 4: trace = 4.592889108403792 (5.87667% change) linmin: converged after 5 iterations. iteration 5: trace = 4.517375695716687 (1.65777% change) linmin: converged after 5 iterations. iteration 6: trace = 4.501941736249235 (0.342242% change) linmin: converged after 5 iterations. iteration 7: trace = 4.497232324294318 (0.104663% change) linmin: converged after 5 iterations. iteration 8: trace = 4.494705098196539 (0.0562109% change) linmin: converged after 5 iterations. iteration 9: trace = 4.493491980362646 (0.0269936% change) linmin: converged after 3 iterations. iteration 10: trace = 4.491945491445946 (0.0344221% change) linmin: converged after 5 iterations. iteration 11: trace = 4.488917948171112 (0.0674221% change) linmin: converged after 5 iterations. iteration 12: trace = 4.485988456176244 (0.0652818% change) linmin: converged after 5 iterations. iteration 13: trace = 4.484190937558812 (0.0400777% change) linmin: converged after 3 iterations. iteration 14: trace = 4.48386913487522 (0.00717664% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483819386025643 (0.00110951% change) linmin: converged after 5 iterations. iteration 16: trace = 4.483805975020271 (0.000299098% change) linmin: converged after 5 iterations. iteration 17: trace = 4.48380114171588 (0.000107795% change) linmin: converged after 10 iterations. iteration 18: trace = 4.483800147423096 (2.21752e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.483799826914352 (7.14815e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 4.483799489839024 (7.51763e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.483798967853178 (1.16416e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.483798525218377 (9.87187e-06% change) linmin: converged after 8 iterations. iteration 23: trace = 4.483798337445188 (4.18782e-06% change) linmin: converged after 7 iterations. iteration 24: trace = 4.483798287890266 (1.1052e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 4.483798277712628 (2.26987e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.483798275623183 (4.65999e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.483798275083284 (1.20411e-08% change) linmin: converged after 18 iterations. iteration 28: trace = 4.483798274909358 (3.879e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.483798274857846 (1.14884e-09% change) linmin: converged after 10 iterations. iteration 30: trace = 4.483798274835885 (4.89788e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.4837982747952 (9.07373e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 4.483798274730355 (1.44621e-09% change) linmin: converged after 6 iterations. iteration 33: trace = 4.483798274703627 (5.96101e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 4.483798274697107 (1.45415e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.48379827469335 (8.37904e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 elapsed time for k point: 0.2198810577392578 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.47117509170385 (1.08128% change) linmin: converged after 4 iterations. iteration 2: trace = 4.432523987969934 (0.868203% change) linmin: converged after 5 iterations. iteration 3: trace = 4.413416315925295 (0.43201% change) linmin: converged after 4 iterations. iteration 4: trace = 4.404296019479978 (0.206863% change) linmin: converged after 5 iterations. iteration 5: trace = 4.401461350048561 (0.0643822% change) linmin: converged after 5 iterations. iteration 6: trace = 4.399788733721918 (0.0380086% change) linmin: converged after 5 iterations. iteration 7: trace = 4.398929457669709 (0.0195318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.398458753658963 (0.010701% change) linmin: converged after 4 iterations. iteration 9: trace = 4.398236171477376 (0.00506059% change) linmin: converged after 4 iterations. iteration 10: trace = 4.398175740996535 (0.00137398% change) linmin: converged after 5 iterations. iteration 11: trace = 4.398161708582171 (0.000319051% change) linmin: converged after 5 iterations. iteration 12: trace = 4.398157649223499 (9.22968e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.398156557280681 (2.48273e-05% change) linmin: converged after 14 iterations. iteration 14: trace = 4.398156022880001 (1.21506e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.39815575235398 (6.1509e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.398155622498218 (2.9525e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.398155576367896 (1.04886e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.398155552776307 (5.36397e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 4.398155541734073 (2.51065e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.398155536009729 (1.30153e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.398155534105945 (4.3286e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.398155533748286 (8.13204e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 4.398155533692945 (1.25827e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 4.398155533670937 (5.00396e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.398155533656857 (3.20121e-10% change) linmin: converged after 8 iterations. iteration 26: trace = 4.39815553365001 (1.55698e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.398155533647456 (5.80587e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 elapsed time for k point: 0.19700860977172852 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.319158064832369 (0.507573% change) linmin: converged after 4 iterations. iteration 2: trace = 4.315195172035457 (0.0917936% change) linmin: converged after 4 iterations. iteration 3: trace = 4.314652488861989 (0.0125769% change) linmin: converged after 4 iterations. iteration 4: trace = 4.314511296930288 (0.00327244% change) linmin: converged after 4 iterations. iteration 5: trace = 4.314475376819518 (0.000832545% change) linmin: converged after 5 iterations. iteration 6: trace = 4.314467154448444 (0.000190577% change) linmin: converged after 2 iterations. iteration 7: trace = 4.314465990301333 (2.69824e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.31446586390868 (2.92951e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.314465856457112 (1.72711e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.31446585576822 (1.5967e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.314465855720847 (1.098e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.314465855716318 (1.04989e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.31446585571558 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 elapsed time for k point: 0.1000216007232666 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.259813230869057 (0.437307% change) linmin: converged after 4 iterations. iteration 2: trace = 4.256808525762702 (0.070561% change) linmin: converged after 4 iterations. iteration 3: trace = 4.256424318461065 (0.00902612% change) linmin: converged after 4 iterations. iteration 4: trace = 4.256370493922877 (0.00126456% change) linmin: converged after 5 iterations. iteration 5: trace = 4.256364774302127 (0.000134378% change) linmin: converged after 2 iterations. iteration 6: trace = 4.256364062218789 (1.67298e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.256363946820415 (2.7112e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.256363898709568 (1.13033e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.256363889801436 (2.0929e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.256363888602306 (2.81727e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.256363888506427 (2.2526e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.256363888498841 (1.78226e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.256363888498332 (1.19568e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 elapsed time for k point: 0.10395503044128418 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.230445167891604 (0.428208% change) linmin: converged after 4 iterations. iteration 2: trace = 4.226884659314516 (0.0841994% change) linmin: converged after 4 iterations. iteration 3: trace = 4.226277772317788 (0.0143588% change) linmin: converged after 8 iterations. iteration 4: trace = 4.226142669225807 (0.00319679% change) linmin: converged after 5 iterations. iteration 5: trace = 4.226108930204354 (0.000798344% change) linmin: converged after 4 iterations. iteration 6: trace = 4.226098815419109 (0.000239341% change) linmin: converged after 4 iterations. iteration 7: trace = 4.226095681906936 (7.41467e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.226095353849791 (7.76265e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.226095326529167 (6.46474e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.226095324571847 (4.63151e-08% change) linmin: converged after 6 iterations. iteration 11: trace = 4.226095324437822 (3.17135e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.226095324430023 (1.84546e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.226095324429568 (1.07605e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 elapsed time for k point: 0.09993982315063477 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.224590436596976 (0.46166% change) linmin: converged after 5 iterations. iteration 2: trace = 4.219402634957612 (0.122876% change) linmin: converged after 4 iterations. iteration 3: trace = 4.218303323951641 (0.0260571% change) linmin: converged after 10 iterations. iteration 4: trace = 4.217912996839637 (0.00925361% change) linmin: converged after 5 iterations. iteration 5: trace = 4.217806962656632 (0.00251393% change) linmin: converged after 9 iterations. iteration 6: trace = 4.217779234764804 (0.000657403% change) linmin: converged after 4 iterations. iteration 7: trace = 4.217772706280908 (0.000154785% change) linmin: converged after 2 iterations. iteration 8: trace = 4.217772221251987 (1.14996e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.217772182111439 (9.27991e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.217772179564777 (6.03793e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.217772179377826 (4.43248e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.217772179362668 (3.59376e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.217772179355181 (1.77498e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 4.217772179352377 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 elapsed time for k point: 0.10716843605041504 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.216167442451164 (0.906425% change) linmin: converged after 5 iterations. iteration 2: trace = 4.207075518579895 (0.215877% change) linmin: converged after 4 iterations. iteration 3: trace = 4.205560118729062 (0.0360268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.20543792525936 (0.00290556% change) linmin: converged after 5 iterations. iteration 5: trace = 4.205424978514317 (0.000307858% change) linmin: converged after 29 iterations. iteration 6: trace = 4.205423872193348 (2.6307e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.205423830220985 (9.98053e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 4.205423828175205 (4.86462e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.205423828042199 (3.16274e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.205423828029007 (3.13693e-10% change) linmin: converged after 6 iterations. iteration 11: trace = 4.205423828027399 (3.82269e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 elapsed time for k point: 0.08559179306030273 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.188511643576091 (0.767217% change) linmin: converged after 5 iterations. iteration 2: trace = 4.183271740703043 (0.12518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.182635593295243 (0.0152081% change) linmin: converged after 5 iterations. iteration 4: trace = 4.182595255887836 (0.000964406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.182592616911325 (6.30943e-05% change) linmin: converged after 33 iterations. iteration 6: trace = 4.182592321790135 (7.05594e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 4.182592286855638 (8.35236e-07% change) linmin: converged after 19 iterations. iteration 8: trace = 4.182592281925398 (1.17875e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.182592281109054 (1.95177e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.182592281032474 (1.83091e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.182592281023937 (2.04112e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.182592281022643 (3.09396e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 elapsed time for k point: 0.09319114685058594 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.172248021921067 (0.635399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168646425845074 (0.0863599% change) linmin: converged after 4 iterations. iteration 3: trace = 4.16797869350233 (0.0160192% change) linmin: converged after 4 iterations. iteration 4: trace = 4.167833298187497 (0.00348845% change) linmin: converged after 4 iterations. iteration 5: trace = 4.167813086647444 (0.000484942% change) linmin: converged after 5 iterations. iteration 6: trace = 4.167811349625674 (4.16771e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.167811247608131 (2.44775e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.167811240546714 (1.69427e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.167811239437253 (2.66198e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.167811239290017 (3.53269e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.167811239280089 (2.38187e-10% change) linmin: converged after 8 iterations. iteration 12: trace = 4.167811239279438 (1.56419e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 elapsed time for k point: 0.0928335189819336 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.175020794659225 (0.559983% change) linmin: converged after 5 iterations. iteration 2: trace = 4.171453968416325 (0.085469% change) linmin: converged after 5 iterations. iteration 3: trace = 4.169838633398401 (0.038731% change) linmin: converged after 5 iterations. iteration 4: trace = 4.169126573577484 (0.0170779% change) linmin: converged after 4 iterations. iteration 5: trace = 4.169030186733768 (0.00231195% change) linmin: converged after 5 iterations. iteration 6: trace = 4.16902380410991 (0.000153096% change) linmin: converged after 5 iterations. iteration 7: trace = 4.169023362478125 (1.05932e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.169023324272549 (9.16416e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.169023320812347 (8.29979e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.169023319376684 (3.44364e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.169023318807238 (1.3659e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.169023318685015 (2.93168e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.169023318668819 (3.88483e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.169023318668043 (1.86199e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 elapsed time for k point: 0.10076308250427246 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.196748230141918 (0.499327% change) linmin: converged after 5 iterations. iteration 2: trace = 4.191391085979967 (0.127731% change) linmin: converged after 6 iterations. iteration 3: trace = 4.184065231778533 (0.174936% change) linmin: converged after 5 iterations. iteration 4: trace = 4.179418151111563 (0.111128% change) linmin: converged after 4 iterations. iteration 5: trace = 4.178708162121 (0.0169892% change) linmin: converged after 4 iterations. iteration 6: trace = 4.178675276778256 (0.000786977% change) linmin: converged after 5 iterations. iteration 7: trace = 4.178673354488494 (4.60024e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.178673127808471 (5.42469e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.178673067930245 (1.43295e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.178672983680849 (2.01618e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.178672966328831 (4.15252e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.178672965170099 (2.77297e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.178672965096586 (1.75924e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.178672965089365 (1.72803e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.178672965088623 (1.77692e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 elapsed time for k point: 0.11872625350952148 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.215590647524031 (1.05654% change) linmin: converged after 10 iterations. iteration 2: trace = 4.183207287460688 (0.771143% change) linmin: converged after 6 iterations. iteration 3: trace = 4.156607860607693 (0.63789% change) linmin: converged after 5 iterations. iteration 4: trace = 4.145125801931357 (0.276618% change) linmin: converged after 5 iterations. iteration 5: trace = 4.141661343321531 (0.083614% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141092875796296 (0.0137265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.141018445194859 (0.00179738% change) linmin: converged after 5 iterations. iteration 8: trace = 4.141013513514405 (0.000119093% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141012954787888 (1.34925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.141012717733229 (5.72456e-06% change) linmin: converged after 11 iterations. iteration 11: trace = 4.141012607970374 (2.65063e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.141012579996667 (6.75528e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.141012578178469 (4.39071e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.141012578052824 (3.03415e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.141012578041202 (2.80652e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.141012578036988 (1.01772e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.14101257803556 (3.44889e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 elapsed time for k point: 0.12771248817443848 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.147564043481693 (0.875199% change) linmin: converged after 5 iterations. iteration 2: trace = 4.142071403504552 (0.132518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.141407784545613 (0.0160227% change) linmin: converged after 14 iterations. iteration 4: trace = 4.141348425305269 (0.00143332% change) linmin: converged after 5 iterations. iteration 5: trace = 4.141332888571218 (0.000375162% change) linmin: converged after 5 iterations. iteration 6: trace = 4.141330631750844 (5.4495e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.141330428051608 (4.91869e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.141330407855833 (4.87664e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141330405897514 (4.72872e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.141330405721697 (4.24542e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.141330405701249 (4.93767e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.14133040570003 (2.94249e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 elapsed time for k point: 0.0988306999206543 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.219183998789268 (0.838948% change) linmin: converged after 5 iterations. iteration 2: trace = 4.214112239631161 (0.120279% change) linmin: converged after 4 iterations. iteration 3: trace = 4.213587255840629 (0.0124585% change) linmin: converged after 4 iterations. iteration 4: trace = 4.213533983072801 (0.00126432% change) linmin: converged after 5 iterations. iteration 5: trace = 4.213522375060026 (0.000275494% change) linmin: converged after 2 iterations. iteration 6: trace = 4.213521453044298 (2.18823e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.21352138376677 (1.64417e-06% change) linmin: converged after 29 iterations. iteration 8: trace = 4.213521376642288 (1.69086e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.213521376039916 (1.42962e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.213521375952428 (2.07635e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.213521375942169 (2.43486e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.213521375941404 (1.81492e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 elapsed time for k point: 0.08923602104187012 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.354935285252275 (0.903179% change) linmin: converged after 5 iterations. iteration 2: trace = 4.347005534771354 (0.182252% change) linmin: converged after 4 iterations. iteration 3: trace = 4.345758802079407 (0.0286844% change) linmin: converged after 4 iterations. iteration 4: trace = 4.345492824185595 (0.00612059% change) linmin: converged after 4 iterations. iteration 5: trace = 4.345439182323275 (0.00123443% change) linmin: converged after 5 iterations. iteration 6: trace = 4.345428859007479 (0.000237567% change) linmin: converged after 6 iterations. iteration 7: trace = 4.345426500208693 (5.42823e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.345426131439357 (8.48638e-06% change) linmin: converged after 17 iterations. iteration 9: trace = 4.345426090356747 (9.45422e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.345426086357088 (9.2043e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.34542608605445 (6.96454e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.345426086022092 (7.44627e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.345426086018986 (7.1497e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 elapsed time for k point: 0.10059809684753418 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.518149969222198 (1.13355% change) linmin: converged after 5 iterations. iteration 2: trace = 4.499734133170298 (0.408429% change) linmin: converged after 5 iterations. iteration 3: trace = 4.495250492449571 (0.099692% change) linmin: converged after 4 iterations. iteration 4: trace = 4.493713193153424 (0.0342041% change) linmin: converged after 4 iterations. iteration 5: trace = 4.492592218712791 (0.0249485% change) large trace change predicted (0.050791%) linmin: converged after 4 iterations. iteration 6: trace = 4.490355890858018 (0.0497905% change) linmin: converged after 5 iterations. iteration 7: trace = 4.487337847436465 (0.0672343% change) linmin: converged after 5 iterations. iteration 8: trace = 4.485431457992108 (0.0424928% change) linmin: converged after 4 iterations. iteration 9: trace = 4.484262744539711 (0.0260592% change) linmin: converged after 3 iterations. iteration 10: trace = 4.483883370910918 (0.00846047% change) linmin: converged after 3 iterations. iteration 11: trace = 4.483810183156654 (0.00163225% change) linmin: converged after 4 iterations. iteration 12: trace = 4.483801839966898 (0.000186074% change) linmin: converged after 3 iterations. iteration 13: trace = 4.483800541625655 (2.89563e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.48380018565615 (7.93901e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483799885096502 (6.70323e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 4.483799578938856 (6.82808e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.483799309165798 (6.01662e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 4.483798916289055 (8.76214e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.483798783128174 (2.96982e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.483798762624252 (4.57289e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.483798756127834 (1.44886e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.483798754611385 (3.38206e-08% change) linmin: converged after 15 iterations. iteration 23: trace = 4.483798754481978 (2.88612e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.483798754451529 (6.79079e-10% change) linmin: converged after 11 iterations. iteration 25: trace = 4.483798754422116 (6.55982e-10% change) linmin: converged after 8 iterations. iteration 26: trace = 4.483798754387671 (7.68218e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 4.483798754356928 (6.85636e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 4.483798754303908 (1.1825e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 4.48379875427857 (5.6508e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 4.483798754271722 (1.52744e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.483798754265766 (1.32817e-10% change) large trace change predicted (4.8196e-10%) linmin: converged after 6 iterations. iteration 32: trace = 4.483798754244152 (4.82062e-10% change) large trace change predicted (2.6894e-09%) linmin: converged after 2 iterations. iteration 33: trace = 4.483798754123567 (2.68934e-09% change) large trace change predicted (9.03518e-09%) linmin: converged after 5 iterations. iteration 34: trace = 4.483798753718449 (9.03516e-09% change) large trace change predicted (3.80042e-08%) linmin: converged after 3 iterations. iteration 35: trace = 4.483798752014425 (3.8004e-08% change) large trace change predicted (1.44447e-07%) linmin: converged after 5 iterations. iteration 36: trace = 4.483798745538273 (1.44434e-07% change) large trace change predicted (4.63378e-07%) linmin: converged after 6 iterations. iteration 37: trace = 4.48379872477563 (4.63059e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 4.483798696719777 (6.25716e-07% change) linmin: converged after 14 iterations. iteration 39: trace = 4.483798668072068 (6.38916e-07% change) linmin: converged after 7 iterations. iteration 40: trace = 4.483798643130926 (5.5625e-07% change) linmin: converged after 6 iterations. iteration 41: trace = 4.483798621858712 (4.74424e-07% change) large trace change predicted (1.35926e-06%) linmin: converged after 12 iterations. iteration 42: trace = 4.483798561180511 (1.35328e-06% change) large trace change predicted (5.83318e-06%) linmin: converged after 6 iterations. iteration 43: trace = 4.483798313956219 (5.51372e-06% change) linmin: converged after 7 iterations. iteration 44: trace = 4.483798101265305 (4.74354e-06% change) linmin: converged after 9 iterations. iteration 45: trace = 4.483798058281495 (9.58647e-07% change) linmin: converged after 7 iterations. iteration 46: trace = 4.483798047911615 (2.31274e-07% change) linmin: converged after 10 iterations. iteration 47: trace = 4.483798039715489 (1.82794e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.483798036699957 (6.7254e-08% change) linmin: converged after 6 iterations. iteration 49: trace = 4.483798033244328 (7.70692e-08% change) linmin: converged after 11 iterations. iteration 50: trace = 4.483798027631948 (1.2517e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.483798025313344 (5.17107e-08% change) linmin: converged after 7 iterations. iteration 52: trace = 4.483798024489732 (1.83686e-08% change) linmin: converged after 13 iterations. iteration 53: trace = 4.483798024240048 (5.56858e-09% change) linmin: converged after 2 iterations. iteration 54: trace = 4.483798024202118 (8.45947e-10% change) linmin: converged after 4 iterations. iteration 55: trace = 4.483798024192735 (2.09258e-10% change) linmin: converged after 18 iterations. iteration 56: trace = 4.483798024185385 (1.63916e-10% change) large trace change predicted (3.44338e-10%) linmin: converged after 7 iterations. iteration 57: trace = 4.483798024169943 (3.44412e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 4.483798024159209 (2.39387e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.48379802415644 (6.17633e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 .elapsed time for k point: 0.37848806381225586 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975133 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831293 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5029830978365978 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128112 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5613397939889752 at Vector3<0.0, 0.0, 0.0> to 0.7200918204564002 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7472029910480837 at Vector3<0.5, 0.0, 0.0> to 0.874359380500508 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8404509697526804 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822797 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8770118718330774 at Vector3<0.5, 0.0, 0.0> to 0.965325380898161 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8929933495598094 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093362 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965476) to band 2 (0.42065733839975133), 38.14282289547772% Gap from band 4 (0.7200918204564002) to band 5 (0.7472029910480837), 3.695395142014472% total elapsed time for run: 2.116481304168701 done /tmp/meepuUBjUW/test_sq_rods-0: 6.53s /tmp/meepuUBjUW/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 1 x 64 x 64. Solving for 4 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 2, 0) (0, 0, 2) Cell volume = 4 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 0.5, -0) (0, -0, 0.5) Geometric objects: block, center = (0,0,0.5625) size (1e+20,1e+20,0.875) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,0.3,0.25) axes (1,0,0), (0,1,0), (0,0,1) Geometric object tree has depth 2 and 8 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 11 k-points Vector3<0.1, 0.0, 0.0> Vector3<0.39, 0.0, 0.0> Vector3<0.6799999999999999, 0.0, 0.0> Vector3<0.9699999999999999, 0.0, 0.0> Vector3<1.26, 0.0, 0.0> Vector3<1.55, 0.0, 0.0> Vector3<1.8399999999999999, 0.0, 0.0> Vector3<2.13, 0.0, 0.0> Vector3<2.42, 0.0, 0.0> Vector3<2.71, 0.0, 0.0> Vector3<3.0, 0.0, 0.0> elapsed time for initialization: 0.012210845947265625 solve_kpoint (0.1,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4 Solving for bands 1 to 4... near maximum in trace linmin: converged after 15 iterations. iteration 1: trace = 0.9888324390218044 (199.208% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3275386403031393 (100.472% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2964736897935054 (9.95652% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2766924976907892 (6.90243% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2726168891851928 (1.4839% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2709568969210187 (0.61077% change) linmin: converged after 5 iterations. iteration 7: trace = 0.270421571645273 (0.197764% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2698420362472927 (0.214538% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2692566677135553 (0.217166% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2688723160972978 (0.142847% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2687479778755979 (0.046255% change) linmin: converged after 7 iterations. iteration 12: trace = 0.2687078756607025 (0.014923% change) linmin: converged after 13 iterations. iteration 13: trace = 0.2686863756597033 (0.00800157% change) linmin: converged after 4 iterations. iteration 14: trace = 0.2686684185723042 (0.00668351% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2686570148093189 (0.00424464% change) linmin: converged after 5 iterations. iteration 16: trace = 0.2686528052174897 (0.00156691% change) linmin: converged after 5 iterations. iteration 17: trace = 0.268650950503293 (0.000690378% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2686504308755131 (0.000193421% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2686501381174944 (0.000108974% change) linmin: converged after 5 iterations. iteration 20: trace = 0.2686498488710397 (0.000107667% change) linmin: converged after 4 iterations. iteration 21: trace = 0.2686495704062641 (0.000103653% change) linmin: converged after 6 iterations. iteration 22: trace = 0.2686494341955125 (5.0702e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.2686493830083235 (1.90535e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 0.2686493569010618 (9.71797e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.2686493401671162 (6.22892e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 0.2686493260250872 (5.26412e-06% change) linmin: converged after 12 iterations. iteration 27: trace = 0.2686493177549078 (3.07843e-06% change) linmin: converged after 9 iterations. iteration 28: trace = 0.2686493141307413 (1.34903e-06% change) linmin: converged after 15 iterations. iteration 29: trace = 0.2686493133317409 (2.97414e-07% change) linmin: converged after 7 iterations. iteration 30: trace = 0.2686493131406225 (7.11405e-08% change) linmin: converged after 9 iterations. iteration 31: trace = 0.2686493130940624 (1.73312e-08% change) linmin: converged after 6 iterations. iteration 32: trace = 0.268649313082798 (4.19299e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 0.2686493130763812 (2.38853e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.2686493130708934 (2.04275e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 0.2686493130667944 (1.52578e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.2686493130651829 (5.99848e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.2686493130645911 (2.20289e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.2686493130640042 (2.1847e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.2686493130635511 (1.68673e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 0.2686493130631626 (1.44579e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 0.2686493130629992 (6.0832e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 elapsed time for k point: 0.5787405967712402 zparity:, 1, 0.991845764322559, -0.9993165778921825, 0.9263952713918745, 0.734287985500236 yparity:, 1, -0.9999999941669303, 0.9999999948774843, 0.9999993171367377, -0.999990343487298 solve_kpoint (0.39,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 0.6221572131381576 (6.85988% change) linmin: converged after 4 iterations. iteration 2: trace = 0.6115306387019994 (1.72273% change) linmin: converged after 5 iterations. iteration 3: trace = 0.6092236100640738 (0.377968% change) linmin: converged after 5 iterations. iteration 4: trace = 0.6078935744602465 (0.218555% change) linmin: converged after 5 iterations. iteration 5: trace = 0.6073391521679113 (0.0912455% change) linmin: converged after 4 iterations. iteration 6: trace = 0.6070826550178682 (0.0422419% change) linmin: converged after 4 iterations. iteration 7: trace = 0.6070081174319568 (0.0122788% change) linmin: converged after 4 iterations. iteration 8: trace = 0.6069403390784771 (0.0111666% change) linmin: converged after 4 iterations. iteration 9: trace = 0.6069054512212717 (0.00574832% change) linmin: converged after 4 iterations. iteration 10: trace = 0.6068924091656944 (0.00214897% change) linmin: converged after 4 iterations. iteration 11: trace = 0.6068870095060079 (0.000889727% change) linmin: converged after 4 iterations. iteration 12: trace = 0.6068853033452281 (0.000281134% change) linmin: converged after 4 iterations. iteration 13: trace = 0.6068844690828896 (0.000137466% change) linmin: converged after 4 iterations. iteration 14: trace = 0.6068841755207711 (4.8372e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 0.6068840418585739 (2.20243e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 0.6068839789046552 (1.03733e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.6068839547900675 (3.97351e-06% change) linmin: converged after 15 iterations. iteration 18: trace = 0.6068839452457329 (1.57268e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.6068839423137347 (4.83123e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.6068839407794916 (2.52807e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.6068839400027517 (1.27988e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.6068839396340783 (6.07486e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.6068839395282147 (1.74438e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 0.6068839394969752 (5.14754e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 0.6068839394888997 (1.33064e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 0.6068839394859056 (4.93366e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 0.6068839394838392 (3.40485e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.6068839394826193 (2.01013e-10% change) linmin: converged after 8 iterations. iteration 29: trace = 0.6068839394820106 (1.00305e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 0.6068839394817216 (4.76188e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 elapsed time for k point: 0.4233701229095459 zparity:, 2, 0.8497976290527355, -0.8562083115829646, 0.613504714456493, 0.7040493643450679 yparity:, 2, -0.9999999782411549, 0.9999997901628059, 1.000005868341607, -0.9999353452610711 solve_kpoint (0.68,0,0): Solving for bands 1 to 4... linmin: converged after 6 iterations. iteration 1: trace = 1.264470565181613 (5.39004% change) linmin: converged after 6 iterations. iteration 2: trace = 1.235883601229645 (2.28663% change) linmin: converged after 5 iterations. iteration 3: trace = 1.224582577450968 (0.918608% change) linmin: converged after 5 iterations. iteration 4: trace = 1.218161286419984 (0.525744% change) linmin: converged after 5 iterations. iteration 5: trace = 1.214962361809651 (0.262948% change) linmin: converged after 4 iterations. iteration 6: trace = 1.212817357015784 (0.176705% change) linmin: converged after 5 iterations. iteration 7: trace = 1.211094436566093 (0.14216% change) linmin: converged after 5 iterations. iteration 8: trace = 1.209359468510491 (0.143359% change) linmin: converged after 4 iterations. iteration 9: trace = 1.208547294324885 (0.0671799% change) linmin: converged after 4 iterations. iteration 10: trace = 1.208042238043626 (0.0417991% change) linmin: converged after 3 iterations. iteration 11: trace = 1.207823296097657 (0.0181253% change) linmin: converged after 4 iterations. iteration 12: trace = 1.207749466955793 (0.00611276% change) linmin: converged after 4 iterations. iteration 13: trace = 1.207719818833629 (0.00245485% change) linmin: converged after 4 iterations. iteration 14: trace = 1.207710829504941 (0.000744325% change) linmin: converged after 4 iterations. iteration 15: trace = 1.207706751669003 (0.000337651% change) linmin: converged after 6 iterations. iteration 16: trace = 1.207705249394497 (0.000124391% change) linmin: converged after 4 iterations. iteration 17: trace = 1.207704786572437 (3.83224e-05% change) linmin: converged after 15 iterations. iteration 18: trace = 1.207704628833395 (1.30611e-05% change) linmin: converged after 17 iterations. iteration 19: trace = 1.207704566628019 (5.15071e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.207704535783024 (2.55402e-06% change) linmin: converged after 9 iterations. iteration 21: trace = 1.207704518965968 (1.39248e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.207704506350417 (1.04459e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.207704497493669 (7.33354e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.20770449198717 (4.55948e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.207704488731007 (2.69616e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 1.207704487630344 (9.11368e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.207704487187936 (3.66322e-08% change) linmin: converged after 19 iterations. iteration 28: trace = 1.207704487019392 (1.39558e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.207704486953282 (5.474e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 1.207704486927158 (2.16307e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 1.207704486920011 (5.91798e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.207704486917498 (2.08052e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 1.207704486916823 (5.59108e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 elapsed time for k point: 0.46557068824768066 zparity:, 3, 0.6430471097756447, -0.5132970565001864, 0.749333227902697, -0.5174581396280994 yparity:, 3, -1.0000092437102739, 0.9999867307863455, -0.9999773484878718, 0.9999739527336347 solve_kpoint (0.97,0,0): Solving for bands 1 to 4... linmin: converged after 6 iterations. iteration 1: trace = 1.937534840468752 (4.15315% change) linmin: converged after 6 iterations. iteration 2: trace = 1.902810987183435 (1.80837% change) linmin: converged after 5 iterations. iteration 3: trace = 1.89274028835154 (0.530658% change) linmin: converged after 5 iterations. iteration 4: trace = 1.888078677878067 (0.246593% change) linmin: converged after 5 iterations. iteration 5: trace = 1.885790637832564 (0.121257% change) linmin: converged after 4 iterations. iteration 6: trace = 1.884495797860613 (0.0686866% change) linmin: converged after 4 iterations. iteration 7: trace = 1.883742431334522 (0.0399851% change) linmin: converged after 4 iterations. iteration 8: trace = 1.883417285430755 (0.0172621% change) linmin: converged after 4 iterations. iteration 9: trace = 1.883289886588927 (0.00676447% change) linmin: converged after 4 iterations. iteration 10: trace = 1.883239300159769 (0.0026861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.883213276357905 (0.00138187% change) linmin: converged after 4 iterations. iteration 12: trace = 1.883202552103174 (0.000569467% change) linmin: converged after 5 iterations. iteration 13: trace = 1.883195968261392 (0.000349609% change) linmin: converged after 5 iterations. iteration 14: trace = 1.883193887272418 (0.000110503% change) linmin: converged after 4 iterations. iteration 15: trace = 1.883193169554699 (3.81117e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 1.883192877574137 (1.55045e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.88319279458978 (4.40658e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.883192759151877 (1.8818e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.883192748042752 (5.89909e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 1.883192744742938 (1.75224e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 1.883192743542448 (6.37476e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.883192743093157 (2.38579e-08% change) linmin: converged after 11 iterations. iteration 23: trace = 1.883192742911179 (9.66329e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.883192742851265 (3.18149e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.883192742827555 (1.25902e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 1.883192742817964 (5.09294e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 1.883192742814812 (1.67383e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.883192742813691 (5.95203e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 elapsed time for k point: 0.40900707244873047 zparity:, 4, 0.9505599456752065, -0.795378249423283, 0.2909593295980241, -0.2599400191523577 yparity:, 4, -0.9999756485606782, 0.9999734198098535, -0.9999951573073973, 1.000002402143964 solve_kpoint (1.26,0,0): Solving for bands 1 to 4... linmin: converged after 7 iterations. iteration 1: trace = 2.691331240743783 (1.92976% change) linmin: converged after 5 iterations. iteration 2: trace = 2.671295720214913 (0.747228% change) linmin: converged after 5 iterations. iteration 3: trace = 2.664766792343676 (0.24471% change) linmin: converged after 4 iterations. iteration 4: trace = 2.656412156555789 (0.314014% change) linmin: converged after 6 iterations. iteration 5: trace = 2.640040929367222 (0.618196% change) linmin: converged after 7 iterations. iteration 6: trace = 2.625855470542893 (0.538767% change) linmin: converged after 6 iterations. iteration 7: trace = 2.61859509533755 (0.276878% change) linmin: converged after 4 iterations. iteration 8: trace = 2.614863948572113 (0.142588% change) linmin: converged after 4 iterations. iteration 9: trace = 2.611559983025121 (0.126433% change) linmin: converged after 4 iterations. iteration 10: trace = 2.608574632724415 (0.114378% change) linmin: converged after 4 iterations. iteration 11: trace = 2.606864668769023 (0.0655732% change) linmin: converged after 3 iterations. iteration 12: trace = 2.605988524621448 (0.0336148% change) linmin: converged after 4 iterations. iteration 13: trace = 2.605290071043019 (0.0268055% change) linmin: converged after 4 iterations. iteration 14: trace = 2.604861354163475 (0.016457% change) linmin: converged after 4 iterations. iteration 15: trace = 2.604545510497537 (0.0121259% change) linmin: converged after 3 iterations. iteration 16: trace = 2.604368153526517 (0.00680975% change) linmin: converged after 3 iterations. iteration 17: trace = 2.604272749286691 (0.00366331% change) linmin: converged after 3 iterations. iteration 18: trace = 2.604204130108292 (0.0026349% change) linmin: converged after 3 iterations. iteration 19: trace = 2.604166865970903 (0.00143093% change) linmin: converged after 3 iterations. iteration 20: trace = 2.604146033707185 (0.000799962% change) linmin: converged after 3 iterations. iteration 21: trace = 2.604132293019618 (0.000527648% change) linmin: converged after 4 iterations. iteration 22: trace = 2.604120260624077 (0.000462051% change) linmin: converged after 3 iterations. iteration 23: trace = 2.604114500336466 (0.000221199% change) linmin: converged after 4 iterations. iteration 24: trace = 2.604111450417451 (0.000117119% change) linmin: converged after 5 iterations. iteration 25: trace = 2.604109427544265 (7.768e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 2.604108092320861 (5.12737e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 2.604107084206233 (3.87125e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 2.60410665152511 (1.66153e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 2.604106383464846 (1.02938e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 2.604106241639464 (5.44622e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 2.604106139753172 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 2.60410607419584 (2.51746e-06% change) linmin: converged after 12 iterations. iteration 33: trace = 2.604106025604114 (1.86597e-06% change) linmin: converged after 12 iterations. iteration 34: trace = 2.604105990411492 (1.35143e-06% change) linmin: converged after 25 iterations. iteration 35: trace = 2.60410597070486 (7.56752e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 2.604105962023718 (3.33364e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.604105957861818 (1.59821e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.604105955505369 (9.04897e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 2.604105953483433 (7.76441e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 2.604105952144455 (5.1418e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 2.604105951136531 (3.87052e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 2.604105950573186 (2.16329e-08% change) linmin: converged after 2 iterations. iteration 43: trace = 2.604105950242608 (1.26945e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 2.604105950072068 (6.54891e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 2.604105949971554 (3.8598e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 2.604105949909474 (2.38395e-09% change) linmin: converged after 11 iterations. iteration 47: trace = 2.604105949872306 (1.42729e-09% change) linmin: converged after 4 iterations. iteration 48: trace = 2.60410594984933 (8.8231e-10% change) linmin: converged after 5 iterations. iteration 49: trace = 2.604105949833435 (6.10376e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 2.604105949821812 (4.46322e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 2.604105949814575 (2.7792e-10% change) linmin: converged after 13 iterations. iteration 52: trace = 2.604105949811262 (1.27201e-10% change) linmin: converged after 5 iterations. iteration 53: trace = 2.604105949809357 (7.31762e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 elapsed time for k point: 0.9315552711486816 zparity:, 5, 0.989433203647212, -0.9410345597944496, -0.9057097520341679, 0.12590511654500938 yparity:, 5, -0.9999341958042025, 0.9999920496328631, -0.9999957145770669, 1.0000214447225875 solve_kpoint (1.55,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.266395069778824 (2.05094% change) linmin: converged after 5 iterations. iteration 2: trace = 3.232377355632402 (1.0469% change) linmin: converged after 5 iterations. iteration 3: trace = 3.204495549827901 (0.866315% change) linmin: converged after 4 iterations. iteration 4: trace = 3.187386698865646 (0.535331% change) linmin: converged after 4 iterations. iteration 5: trace = 3.178841158371629 (0.268465% change) linmin: converged after 4 iterations. iteration 6: trace = 3.174359784711398 (0.141075% change) linmin: converged after 4 iterations. iteration 7: trace = 3.172271429703166 (0.0658099% change) linmin: converged after 4 iterations. iteration 8: trace = 3.171344966966339 (0.0292093% change) linmin: converged after 4 iterations. iteration 9: trace = 3.171078223607465 (0.0084114% change) linmin: converged after 3 iterations. iteration 10: trace = 3.171008879397923 (0.00218679% change) linmin: converged after 4 iterations. iteration 11: trace = 3.170984754524611 (0.000760798% change) linmin: converged after 4 iterations. iteration 12: trace = 3.17097706778243 (0.000242409% change) linmin: converged after 5 iterations. iteration 13: trace = 3.170972828710284 (0.000133684% change) linmin: converged after 5 iterations. iteration 14: trace = 3.170971244290354 (4.99664e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 3.170970553226561 (2.17934e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 3.170970265011881 (9.08916e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 3.170970164109814 (3.18206e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 3.170970121317302 (1.34951e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 3.170970104220375 (5.3917e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 3.170970094225221 (3.15208e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 3.170970088061014 (1.94395e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 3.170970085145856 (9.19327e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.170970083948772 (3.77514e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.17097008353335 (1.31008e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 3.170970083397891 (4.27185e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 3.170970083352964 (1.41681e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 3.170970083335021 (5.65851e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 3.170970083326956 (2.54356e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 3.170970083323871 (9.72916e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 elapsed time for k point: 0.4779033660888672 zparity:, 6, 0.9953267395056951, -0.9730766670040221, -0.986247911215252, 0.7878496622631198 yparity:, 6, -0.9999079119735855, 0.9999964725103828, -1.000000377490359, 1.0001762821174565 solve_kpoint (1.84,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.70542176664522 (1.60572% change) linmin: converged after 5 iterations. iteration 2: trace = 3.680251297975054 (0.681603% change) linmin: converged after 5 iterations. iteration 3: trace = 3.671551008005009 (0.236685% change) linmin: converged after 4 iterations. iteration 4: trace = 3.667866331047656 (0.100408% change) linmin: converged after 4 iterations. iteration 5: trace = 3.666884708312741 (0.0267664% change) linmin: converged after 4 iterations. iteration 6: trace = 3.666380816936595 (0.0137426% change) linmin: converged after 4 iterations. iteration 7: trace = 3.666217749636358 (0.00444774% change) linmin: converged after 3 iterations. iteration 8: trace = 3.6661505829781 (0.00183206% change) linmin: converged after 5 iterations. iteration 9: trace = 3.666126412642431 (0.000659286% change) linmin: converged after 4 iterations. iteration 10: trace = 3.666119045925824 (0.00020094% change) linmin: converged after 5 iterations. iteration 11: trace = 3.66611614266722 (7.91916e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 3.666115478266013 (1.81228e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 3.666115258037461 (6.00714e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 3.666115190515089 (1.8418e-06% change) linmin: converged after 7 iterations. iteration 15: trace = 3.666115174200297 (4.45016e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 3.666115169279947 (1.34212e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 3.666115167850354 (3.89947e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 3.666115167237352 (1.67208e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 3.666115166888864 (9.50563e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 3.666115166571151 (8.6662e-09% change) large trace change predicted (1.8721e-08%) linmin: converged after 5 iterations. iteration 21: trace = 3.666115165884806 (1.87213e-08% change) large trace change predicted (4.39604e-08%) linmin: converged after 3 iterations. iteration 22: trace = 3.666115164273169 (4.39604e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.666115161714989 (6.9779e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 3.666115159305658 (6.57189e-08% change) linmin: converged after 22 iterations. iteration 25: trace = 3.666115157581601 (4.70268e-08% change) linmin: converged after 28 iterations. iteration 26: trace = 3.666115156371115 (3.30182e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 3.666115155743585 (1.7117e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 3.666115155488845 (6.94848e-09% change) linmin: converged after 9 iterations. iteration 29: trace = 3.66611515541628 (1.97934e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 3.666115155394754 (5.87182e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 3.666115155388817 (1.61931e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 3.666115155387485 (3.63279e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 elapsed time for k point: 0.4590911865234375 zparity:, 7, 0.9973241081197969, -0.984353627051524, -0.9920656947485795, 0.9432892229195069 yparity:, 7, -0.9998843493066407, 0.9999987176028036, -1.000004228955064, 1.000251295159799 solve_kpoint (2.13,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 4.179248358289504 (0.910349% change) linmin: converged after 4 iterations. iteration 2: trace = 4.167780338437884 (0.274781% change) linmin: converged after 4 iterations. iteration 3: trace = 4.165776414135161 (0.0480929% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16489707270989 (0.0211109% change) linmin: converged after 3 iterations. iteration 5: trace = 4.164637936358549 (0.00622211% change) linmin: converged after 4 iterations. iteration 6: trace = 4.164446201568919 (0.00460398% change) linmin: converged after 5 iterations. iteration 7: trace = 4.164369177258053 (0.00184959% change) linmin: converged after 5 iterations. iteration 8: trace = 4.164344541357718 (0.00059159% change) linmin: converged after 3 iterations. iteration 9: trace = 4.1643375227512 (0.000168541% change) linmin: converged after 4 iterations. iteration 10: trace = 4.1643358438107 (4.03171e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.164335332889637 (1.2269e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.16433523099087 (2.44694e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.164335202539397 (6.83218e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 4.1643351877567 (3.54983e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 4.164335171932876 (3.79984e-07% change) large trace change predicted (1.02272e-06%) linmin: converged after 3 iterations. iteration 16: trace = 4.1643351293438 (1.02271e-06% change) large trace change predicted (8.89361e-06%) linmin: converged after 8 iterations. iteration 17: trace = 4.164334759043552 (8.89218e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 18: trace = 4.16316758638906 (0.0280318% change) linmin: converged after 9 iterations. iteration 19: trace = 4.163166876293172 (1.70566e-05% change) linmin: converged after 7 iterations. iteration 20: trace = 4.163166163752942 (1.71153e-05% change) linmin: converged after 8 iterations. iteration 21: trace = 4.163165449011131 (1.71682e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 4.16316473228248 (1.7216e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.163164013755316 (1.72592e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.163163293593025 (1.72984e-05% change) linmin: converged after 9 iterations. iteration 25: trace = 4.163162571935903 (1.73343e-05% change) linmin: converged after 7 iterations. iteration 26: trace = 4.163161848902639 (1.73674e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.163161124591937 (1.73981e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.163160399084225 (1.74268e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 4.163159672443065 (1.74541e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.163158944716526 (1.74802e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.163158215938651 (1.75054e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.163157486130701 (1.75302e-05% change) linmin: converged after 12 iterations. iteration 33: trace = 4.163156755302264 (1.75547e-05% change) linmin: converged after 21 iterations. iteration 34: trace = 4.163156023429362 (1.75798e-05% change) linmin: converged after 12 iterations. iteration 35: trace = 4.163155290546891 (1.7604e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.163154556597316 (1.76296e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 4.163153821571862 (1.76555e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 4.163153085450248 (1.76818e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 4.163152348177279 (1.77095e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.163151609704363 (1.77383e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 4.163150869986995 (1.77682e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 4.163150128967145 (1.77995e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.163149386585701 (1.78322e-05% change) linmin: converged after 9 iterations. iteration 44: trace = 4.163148642780136 (1.78664e-05% change) linmin: converged after 10 iterations. iteration 45: trace = 4.163147897482164 (1.79023e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 4.16314715062773 (1.79397e-05% change) linmin: converged after 12 iterations. iteration 47: trace = 4.163146402144422 (1.79788e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.163145651958501 (1.80197e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 4.163144899994773 (1.80624e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 4.163144146176415 (1.81069e-05% change) linmin: converged after 10 iterations. iteration 51: trace = 4.163143390425138 (1.81534e-05% change) linmin: converged after 8 iterations. iteration 52: trace = 4.163142632661325 (1.82017e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.163141872804288 (1.8252e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 4.16314111077236 (1.83043e-05% change) linmin: converged after 9 iterations. iteration 55: trace = 4.163140346483049 (1.83585e-05% change) linmin: converged after 12 iterations. iteration 56: trace = 4.163139579853148 (1.84147e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.163138810798954 (1.84729e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 4.163138039236278 (1.85332e-05% change) linmin: converged after 8 iterations. iteration 59: trace = 4.163137265080522 (1.85955e-05% change) linmin: converged after 15 iterations. iteration 60: trace = 4.163136488246822 (1.86598e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 4.163135708650155 (1.87262e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 4.16313492620536 (1.87946e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 4.163134140827234 (1.88651e-05% change) linmin: converged after 7 iterations. iteration 64: trace = 4.163133352430576 (1.89376e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 4.163132560930322 (1.90121e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 4.163131766241523 (1.90887e-05% change) linmin: converged after 10 iterations. iteration 67: trace = 4.163130968279442 (1.91674e-05% change) linmin: converged after 7 iterations. iteration 68: trace = 4.163130166959633 (1.9248e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 4.163129362197923 (1.93307e-05% change) resetting CG direction... large trace change predicted (0.20048%) linmin: converged after 4 iterations. iteration 70: trace = 4.154754269036366 (0.201376% change) linmin: converged after 4 iterations. iteration 71: trace = 4.151730774648329 (0.0727984% change) linmin: converged after 4 iterations. iteration 72: trace = 4.150327728248673 (0.0338% change) linmin: converged after 3 iterations. iteration 73: trace = 4.149564355410396 (0.0183948% change) linmin: converged after 9 iterations. iteration 74: trace = 4.149045216918441 (0.0125115% change) linmin: converged after 3 iterations. iteration 75: trace = 4.148540739501984 (0.0121596% change) linmin: converged after 4 iterations. iteration 76: trace = 4.147913030488091 (0.015132% change) linmin: converged after 5 iterations. iteration 77: trace = 4.14696335293775 (0.0228979% change) linmin: converged after 5 iterations. iteration 78: trace = 4.145419664772184 (0.0372315% change) linmin: converged after 5 iterations. iteration 79: trace = 4.143768420700608 (0.0398409% change) linmin: converged after 4 iterations. iteration 80: trace = 4.142813620967517 (0.0230445% change) linmin: converged after 4 iterations. iteration 81: trace = 4.142427718641198 (0.00931542% change) linmin: converged after 3 iterations. iteration 82: trace = 4.142309326847935 (0.00285807% change) linmin: converged after 3 iterations. iteration 83: trace = 4.142270291862667 (0.000942353% change) linmin: converged after 3 iterations. iteration 84: trace = 4.142259228354433 (0.000267088% change) linmin: converged after 4 iterations. iteration 85: trace = 4.142254098558954 (0.000123841% change) linmin: converged after 4 iterations. iteration 86: trace = 4.142251825495718 (5.4875e-05% change) linmin: converged after 5 iterations. iteration 87: trace = 4.142250854562075 (2.34398e-05% change) linmin: converged after 2 iterations. iteration 88: trace = 4.142250458252493 (9.56749e-06% change) linmin: converged after 6 iterations. iteration 89: trace = 4.142250016021885 (1.06761e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 4.142249199751446 (1.9706e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 4.142248059527486 (2.75267e-05% change) linmin: converged after 5 iterations. iteration 92: trace = 4.14224631521294 (4.21103e-05% change) linmin: converged after 6 iterations. iteration 93: trace = 4.142245417574321 (2.16703e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 4.142245181154404 (5.70753e-06% change) linmin: converged after 2 iterations. iteration 95: trace = 4.142245107964157 (1.76692e-06% change) linmin: converged after 2 iterations. iteration 96: trace = 4.142245088102449 (4.79491e-07% change) linmin: converged after 2 iterations. iteration 97: trace = 4.142245076893952 (2.7059e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 4.142245071669594 (1.26124e-07% change) linmin: converged after 2 iterations. iteration 99: trace = 4.142245069755909 (4.61992e-08% change) linmin: converged after 2 iterations. iteration 100: trace = 4.142245069000636 (1.82334e-08% change) linmin: converged after 3 iterations. iteration 101: trace = 4.142245068687432 (7.56123e-09% change) linmin: converged after 4 iterations. iteration 102: trace = 4.142245068426584 (6.29725e-09% change) linmin: converged after 2 iterations. iteration 103: trace = 4.14224506802549 (9.68302e-09% change) linmin: converged after 2 iterations. iteration 104: trace = 4.142245067241705 (1.89217e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.142245066287538 (2.3035e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 4.142245065572554 (1.72608e-08% change) linmin: converged after 2 iterations. iteration 107: trace = 4.142245065259731 (7.55203e-09% change) linmin: converged after 12 iterations. iteration 108: trace = 4.142245065162615 (2.34453e-09% change) linmin: converged after 3 iterations. iteration 109: trace = 4.142245065142515 (4.85231e-10% change) linmin: converged after 5 iterations. iteration 110: trace = 4.142245065136632 (1.42032e-10% change) linmin: converged after 2 iterations. iteration 111: trace = 4.142245065134214 (5.83864e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 elapsed time for k point: 1.5915486812591553 zparity:, 8, 0.9982486290503177, -0.9895791223046916, -0.9942480254116284, -0.9858374395357821 yparity:, 8, -0.9998633636102361, 1.0000002772665153, -1.0000094946193563, -0.9998446077472626 solve_kpoint (2.42,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 4.665766465874563 (0.565815% change) linmin: converged after 4 iterations. iteration 2: trace = 4.659489395826522 (0.134625% change) linmin: converged after 4 iterations. iteration 3: trace = 4.658891363438755 (0.0128355% change) linmin: converged after 4 iterations. iteration 4: trace = 4.65871096353985 (0.00387224% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658687038855446 (0.000513549% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65868325667982 (8.11855e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.658682393128436 (1.85364e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.658682225170776 (3.60526e-06% change) linmin: converged after 34 iterations. iteration 9: trace = 4.658682176904288 (1.03605e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.658682160894788 (3.43649e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.658682157651009 (6.96287e-08% change) linmin: converged after 13 iterations. iteration 12: trace = 4.658682156823364 (1.77657e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.658682156624814 (4.26193e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.658682156534685 (1.93464e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.658682156472834 (1.32767e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.658682156406861 (1.41613e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.658682156300657 (2.2797e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 4.658682156170637 (2.79091e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.658682156060237 (2.36978e-09% change) linmin: converged after 9 iterations. iteration 20: trace = 4.658682156016944 (9.29286e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 4.658682156004986 (2.56691e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.658682156001959 (6.49736e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 elapsed time for k point: 0.3242349624633789 zparity:, 9, 0.9987530861905035, -0.9924225574132503, -0.9954159207907368, -0.9908510257235786 yparity:, 9, -0.9998459146893053, 1.000001510036795, -1.0000160082783978, -0.9998409671139477 solve_kpoint (2.71,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.231306463684254 (0.398399% change) linmin: converged after 4 iterations. iteration 2: trace = 5.226476483996172 (0.092371% change) linmin: converged after 4 iterations. iteration 3: trace = 5.225996832030691 (0.00917777% change) linmin: converged after 4 iterations. iteration 4: trace = 5.225846177241163 (0.00288284% change) linmin: converged after 4 iterations. iteration 5: trace = 5.225825962252783 (0.000386828% change) linmin: converged after 5 iterations. iteration 6: trace = 5.225822836954248 (5.98049e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.225822132024473 (1.34894e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.225821997941996 (2.56577e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.225821960503556 (7.16412e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.225821946532259 (2.67351e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 5.225821943078972 (6.60812e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.225821942125431 (1.82467e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.225821941909169 (4.13833e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 5.225821941839987 (1.32385e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 5.225821941820714 (3.68812e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 5.22582194181603 (8.96197e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 elapsed time for k point: 0.2364521026611328 zparity:, 10, 0.999058451884413, -0.9941385054596745, -0.996144476211231, -0.9934909746544984 yparity:, 10, -0.999833271897719, 1.000002524621246, -1.0000230923335933, -0.9998348121389271 solve_kpoint (3,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.849410752654952 (0.287035% change) linmin: converged after 4 iterations. iteration 2: trace = 5.84554894659623 (0.0660422% change) linmin: converged after 4 iterations. iteration 3: trace = 5.845128893013053 (0.00718613% change) linmin: converged after 4 iterations. iteration 4: trace = 5.844992170146368 (0.00233912% change) linmin: converged after 4 iterations. iteration 5: trace = 5.844973984450393 (0.000311133% change) linmin: converged after 2 iterations. iteration 6: trace = 5.844971151658916 (4.84654e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.844970494856534 (1.12371e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.84497036803691 (2.16972e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.844970331184175 (6.30503e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.844970316460044 (2.51911e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 5.844970312633015 (6.54756e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.844970311596862 (1.77273e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.844970311355159 (4.13524e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 5.844970311278132 (1.31782e-09% change) linmin: converged after 10 iterations. iteration 15: trace = 5.844970311258017 (3.4415e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 5.844970311253993 (6.88361e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 Felapsed time for k point: 0.2411038875579834 zparity:, 11, 0.999257350936381, -0.9952507980580001, -0.9966396089669411, -0.9950905165813099 yparity:, 11, -0.9998264814151208, 1.000003358403511, -1.0000301573652695, -0.9998331550675029 Band 1 range: 0.08075820534047619 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106427 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.0855765355012531 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904504 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800331054 at Vector3<0.1, 0.0, 0.0> to 1.2769288087738555 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568814 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201543 at Vector3<3.0, 0.0, 0.0> total elapsed time for run: 6.153268098831177 done /tmp/meepuUBjUW/test_strip-0: 6.16s /tmp/meepuUBjUW/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013489723205566406 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.32814717292785645 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.9240999221801758 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.2059473991394043 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.18657660484313965 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.21169304847717285 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3413236141204834 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.25743722915649414 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.22052335739135742 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.18999791145324707 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1752333641052246 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.17506718635559082 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.14674162864685059 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1606447696685791 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.22741246223449707 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2641158103942871 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5794088840484619 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.596951961517334 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepuUBjUW/test_subpixel_averaging-0-epsilon.h5... /tmp/meepuUBjUW/test_subpixel_averaging-0: 4.62s /tmp/meepuUBjUW/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> elapsed time for initialization: 0.10558032989501953 solve_kpoint (0.5,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6 Solving for bands 1 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 15.74018598579249 (195.749% change) linmin: converged after 9 iterations. iteration 2: trace = 3.090147276233731 (134.358% change) linmin: converged after 6 iterations. iteration 3: trace = 2.39752372069761 (25.2429% change) linmin: converged after 5 iterations. iteration 4: trace = 2.145761074543341 (11.0828% change) linmin: converged after 5 iterations. iteration 5: trace = 2.068316051370429 (3.67554% change) linmin: converged after 5 iterations. iteration 6: trace = 2.048480958527572 (0.963618% change) linmin: converged after 4 iterations. iteration 7: trace = 2.043452743659615 (0.245762% change) linmin: converged after 4 iterations. iteration 8: trace = 2.041240675658027 (0.10831% change) linmin: converged after 4 iterations. iteration 9: trace = 2.040708177321921 (0.0260904% change) linmin: converged after 4 iterations. iteration 10: trace = 2.040466618259406 (0.0118377% change) linmin: converged after 4 iterations. iteration 11: trace = 2.040385065982352 (0.00399683% change) linmin: converged after 5 iterations. iteration 12: trace = 2.040354111287643 (0.00151711% change) linmin: converged after 5 iterations. iteration 13: trace = 2.040341169825954 (0.000634277% change) linmin: converged after 4 iterations. iteration 14: trace = 2.040337077970569 (0.000200548% change) linmin: converged after 4 iterations. iteration 15: trace = 2.040336153622575 (4.53037e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 2.040335806340879 (1.70208e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 2.040335710845959 (4.68035e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 2.040335672642774 (1.8724e-06% change) linmin: converged after 22 iterations. iteration 19: trace = 2.040335654413402 (8.9345e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.040335648243747 (3.02384e-07% change) linmin: converged after 18 iterations. iteration 21: trace = 2.040335646291806 (9.56677e-08% change) linmin: converged after 7 iterations. iteration 22: trace = 2.04033564561653 (3.30963e-08% change) linmin: converged after 21 iterations. iteration 23: trace = 2.040335645457566 (7.79107e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 2.040335645416252 (2.02487e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 2.040335645404155 (5.92892e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 2.040335645401636 (1.23432e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 2.04033564540094 (3.41501e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 elapsed time for k point: 5.335507869720459 total elapsed time for run: 5.44118332862854 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.04600119590759277 solve_kpoint (0,0,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.95589239481535 (193.84% change) linmin: converged after 12 iterations. iteration 2: trace = 4.039421326965928 (129.735% change) linmin: converged after 5 iterations. iteration 3: trace = 3.237031641771015 (22.0544% change) linmin: converged after 5 iterations. iteration 4: trace = 2.981724017015089 (8.21089% change) linmin: converged after 5 iterations. iteration 5: trace = 2.778779921662612 (7.04605% change) linmin: converged after 6 iterations. iteration 6: trace = 2.649264413471264 (4.77209% change) linmin: converged after 6 iterations. iteration 7: trace = 2.552598023165624 (3.71661% change) linmin: converged after 6 iterations. iteration 8: trace = 2.49999224211558 (2.08233% change) linmin: converged after 5 iterations. iteration 9: trace = 2.481050506315754 (0.760553% change) linmin: converged after 4 iterations. iteration 10: trace = 2.47318361058262 (0.317583% change) linmin: converged after 3 iterations. iteration 11: trace = 2.470951871990917 (0.0902782% change) linmin: converged after 3 iterations. iteration 12: trace = 2.470390583895061 (0.022718% change) linmin: converged after 4 iterations. iteration 13: trace = 2.470176090620012 (0.00868294% change) linmin: converged after 3 iterations. iteration 14: trace = 2.470105989373048 (0.00283795% change) linmin: converged after 3 iterations. iteration 15: trace = 2.470088975297651 (0.000688802% change) linmin: converged after 3 iterations. iteration 16: trace = 2.470086848276996 (8.61111e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 2.470086726387079 (4.93464e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 2.470086678531701 (1.9374e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.470086646747166 (1.28678e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 2.470086621328261 (1.02907e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 2.470086599230554 (8.94613e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.470086579159212 (8.12576e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 2.470086560435126 (7.58034e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 2.470086542626187 (7.20984e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 2.470086525398639 (6.97447e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 2.470086508443814 (6.86406e-07% change) linmin: converged after 5 iterations. iteration 27: trace = 2.470086491432141 (6.88708e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 2.470086473971004 (7.06904e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 2.470086455551509 (7.45702e-07% change) linmin: converged after 6 iterations. iteration 30: trace = 2.470086435461984 (8.13313e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 2.470086412632964 (9.24219e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 2.470086385334096 (1.10518e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 2.470086350578639 (1.40705e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 2.470086303711495 (1.89739e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 2.470086256803584 (1.89904e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 2.470086237769362 (7.70589e-07% change) linmin: converged after 5 iterations. iteration 37: trace = 2.470086227711381 (4.07191e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 2.470086220769965 (2.81019e-07% change) linmin: converged after 5 iterations. iteration 39: trace = 2.470086215312805 (2.2093e-07% change) linmin: converged after 4 iterations. iteration 40: trace = 2.470086210703905 (1.86589e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 2.470086206637606 (1.64622e-07% change) linmin: converged after 5 iterations. iteration 42: trace = 2.470086202945012 (1.49493e-07% change) linmin: converged after 7 iterations. iteration 43: trace = 2.470086199523804 (1.38506e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 2.470086196306484 (1.30251e-07% change) linmin: converged after 5 iterations. iteration 45: trace = 2.470086193246972 (1.23863e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 2.470086190311444 (1.18843e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 2.470086187474318 (1.14859e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 2.470086184715327 (1.11696e-07% change) linmin: converged after 5 iterations. iteration 49: trace = 2.470086182017742 (1.0921e-07% change) linmin: converged after 5 iterations. iteration 50: trace = 2.470086179367615 (1.07289e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 2.470086176752181 (1.05884e-07% change) linmin: converged after 6 iterations. iteration 52: trace = 2.470086174160263 (1.04932e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.470086171580709 (1.04432e-07% change) linmin: converged after 9 iterations. iteration 54: trace = 2.47008616900312 (1.04352e-07% change) linmin: converged after 6 iterations. iteration 55: trace = 2.470086166416444 (1.0472e-07% change) linmin: converged after 5 iterations. iteration 56: trace = 2.470086163809907 (1.05524e-07% change) linmin: converged after 8 iterations. iteration 57: trace = 2.470086161171471 (1.06816e-07% change) linmin: converged after 6 iterations. iteration 58: trace = 2.470086158488062 (1.08636e-07% change) linmin: converged after 6 iterations. iteration 59: trace = 2.470086155745094 (1.11047e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 2.470086152925734 (1.1414e-07% change) linmin: converged after 5 iterations. iteration 61: trace = 2.470086150010395 (1.18026e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 2.470086146975367 (1.22871e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 2.470086143791794 (1.28885e-07% change) linmin: converged after 6 iterations. iteration 64: trace = 2.47008614042227 (1.36413e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 2.470086136818356 (1.45902e-07% change) linmin: converged after 5 iterations. iteration 66: trace = 2.47008613291373 (1.58077e-07% change) linmin: converged after 5 iterations. iteration 67: trace = 2.470086128613541 (1.74091e-07% change) linmin: converged after 4 iterations. iteration 68: trace = 2.470086123774848 (1.95892e-07% change) linmin: converged after 7 iterations. iteration 69: trace = 2.470086118170149 (2.26903e-07% change) resetting CG direction... large trace change predicted (5.08616e-06%) linmin: converged after 4 iterations. iteration 70: trace = 2.470085992402971 (5.09161e-06% change) linmin: converged after 4 iterations. iteration 71: trace = 2.470085917449075 (3.03447e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 2.470085857051819 (2.44515e-06% change) linmin: converged after 10 iterations. iteration 73: trace = 2.470085794434165 (2.53504e-06% change) linmin: converged after 5 iterations. iteration 74: trace = 2.470085684656471 (4.44429e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 2.470085666272392 (7.44269e-07% change) linmin: converged after 5 iterations. iteration 76: trace = 2.470085659657276 (2.67809e-07% change) linmin: converged after 2 iterations. iteration 77: trace = 2.470085656852766 (1.13539e-07% change) linmin: converged after 6 iterations. iteration 78: trace = 2.470085655579518 (5.15467e-08% change) linmin: converged after 15 iterations. iteration 79: trace = 2.470085654980333 (2.42576e-08% change) linmin: converged after 6 iterations. iteration 80: trace = 2.470085654692695 (1.16449e-08% change) linmin: converged after 6 iterations. iteration 81: trace = 2.47008565455298 (5.65628e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 2.47008565448481 (2.75986e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 2.470085654451496 (1.34869e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 2.470085654435226 (6.58668e-10% change) linmin: converged after 3 iterations. iteration 85: trace = 2.470085654427465 (3.14196e-10% change) linmin: converged after 16 iterations. iteration 86: trace = 2.470085654423682 (1.53178e-10% change) linmin: converged after 6 iterations. iteration 87: trace = 2.470085654421875 (7.31194e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 elapsed time for k point: 11.187900066375732 total elapsed time for run: 11.23400354385376 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zodd. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.1087646484375 solve_kpoint (0,0,0): zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.02221847556454 (194.149% change) linmin: converged after 11 iterations. iteration 2: trace = 3.363324203114509 (137.092% change) linmin: converged after 5 iterations. iteration 3: trace = 2.753285428763914 (19.947% change) linmin: converged after 5 iterations. iteration 4: trace = 2.542376250784823 (7.96536% change) linmin: converged after 5 iterations. iteration 5: trace = 2.460265280306889 (3.2827% change) linmin: converged after 6 iterations. iteration 6: trace = 2.396838326976499 (2.61172% change) linmin: converged after 5 iterations. iteration 7: trace = 2.342633507615586 (2.28738% change) linmin: converged after 7 iterations. iteration 8: trace = 2.313897281250125 (1.23423% change) linmin: converged after 6 iterations. iteration 9: trace = 2.300812929616366 (0.567071% change) linmin: converged after 4 iterations. iteration 10: trace = 2.296327307690695 (0.195148% change) linmin: converged after 3 iterations. iteration 11: trace = 2.294758109433266 (0.0683585% change) linmin: converged after 4 iterations. iteration 12: trace = 2.294135222393112 (0.0271476% change) linmin: converged after 4 iterations. iteration 13: trace = 2.293938668030191 (0.00856806% change) linmin: converged after 4 iterations. iteration 14: trace = 2.293826788588857 (0.0048773% change) linmin: converged after 4 iterations. iteration 15: trace = 2.293758588338953 (0.00297325% change) linmin: converged after 5 iterations. iteration 16: trace = 2.29369419440961 (0.00280739% change) linmin: converged after 7 iterations. iteration 17: trace = 2.293618199025774 (0.00331329% change) linmin: converged after 7 iterations. iteration 18: trace = 2.293528069881335 (0.00392964% change) linmin: converged after 4 iterations. iteration 19: trace = 2.293451007226641 (0.00336006% change) linmin: converged after 8 iterations. iteration 20: trace = 2.293406432494042 (0.00194358% change) linmin: converged after 5 iterations. iteration 21: trace = 2.293384561775683 (0.000953639% change) linmin: converged after 5 iterations. iteration 22: trace = 2.293373743494189 (0.000471718% change) linmin: converged after 4 iterations. iteration 23: trace = 2.293370474414736 (0.000142545% change) linmin: converged after 5 iterations. iteration 24: trace = 2.293369520043941 (4.16143e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 2.293369112326042 (1.77781e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 2.293368934281367 (7.76346e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 2.293368844736433 (3.90452e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 2.293368821069992 (1.03195e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 2.293368820578205 (2.14439e-08% change) linmin: converged after 15 iterations. iteration 30: trace = 2.293368820560684 (7.63951e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.293368820559674 (4.40532e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 .elapsed time for k point: 6.229914665222168 total elapsed time for run: 6.338793039321899 done /tmp/meepuUBjUW/test_symmetry_overlap-0: 23.68s /tmp/meepuUBjUW/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0021140575408935547 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 13.34289714972894 (194.943% change) linmin: converged after 7 iterations. iteration 2: trace = 5.883288708168695 (77.5984% change) linmin: converged after 5 iterations. iteration 3: trace = 5.044755956652265 (15.3464% change) linmin: converged after 5 iterations. iteration 4: trace = 4.759186801709515 (5.8256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.648502384223162 (2.35306% change) linmin: converged after 5 iterations. iteration 6: trace = 4.573735188935832 (1.62145% change) linmin: converged after 8 iterations. iteration 7: trace = 4.52509608637615 (1.06913% change) linmin: converged after 5 iterations. iteration 8: trace = 4.490878663187865 (0.75904% change) linmin: converged after 6 iterations. iteration 9: trace = 4.471972673158225 (0.421874% change) linmin: converged after 4 iterations. iteration 10: trace = 4.463100096502826 (0.198601% change) linmin: converged after 5 iterations. iteration 11: trace = 4.457774835855648 (0.119389% change) linmin: converged after 4 iterations. iteration 12: trace = 4.455553733636293 (0.0498378% change) linmin: converged after 4 iterations. iteration 13: trace = 4.454264949858793 (0.0289295% change) linmin: converged after 4 iterations. iteration 14: trace = 4.453628568036768 (0.014288% change) linmin: converged after 4 iterations. iteration 15: trace = 4.453292324411062 (0.00755017% change) linmin: converged after 4 iterations. iteration 16: trace = 4.453169254637682 (0.00276361% change) linmin: converged after 4 iterations. iteration 17: trace = 4.453124198333839 (0.00101179% change) linmin: converged after 5 iterations. iteration 18: trace = 4.453097708544561 (0.00059486% change) linmin: converged after 5 iterations. iteration 19: trace = 4.453064686036361 (0.000741565% change) large trace change predicted (0.00167871%) linmin: converged after 5 iterations. iteration 20: trace = 4.45298990841828 (0.00167925% change) large trace change predicted (0.00355348%) linmin: converged after 5 iterations. iteration 21: trace = 4.452831698844816 (0.00355295% change) linmin: converged after 5 iterations. iteration 22: trace = 4.452615931157147 (0.00484575% change) linmin: converged after 5 iterations. iteration 23: trace = 4.452445091453559 (0.00383691% change) linmin: converged after 5 iterations. iteration 24: trace = 4.452296186462407 (0.0033444% change) linmin: converged after 4 iterations. iteration 25: trace = 4.452144807934144 (0.00340007% change) linmin: converged after 4 iterations. iteration 26: trace = 4.45202801093897 (0.00262342% change) linmin: converged after 4 iterations. iteration 27: trace = 4.451974702503797 (0.0011974% change) linmin: converged after 4 iterations. iteration 28: trace = 4.451958340675563 (0.000367519% change) linmin: converged after 4 iterations. iteration 29: trace = 4.451953421809165 (0.000110488% change) linmin: converged after 5 iterations. iteration 30: trace = 4.451951355107926 (4.64224e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 4.451950388858642 (2.1704e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.451949935124777 (1.01918e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 4.451949721654937 (4.79497e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 4.451949638042385 (1.87811e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 4.451949603090662 (7.85088e-07% change) linmin: converged after 10 iterations. iteration 36: trace = 4.451949587124878 (3.58625e-07% change) linmin: converged after 6 iterations. iteration 37: trace = 4.451949578414573 (1.95651e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 4.451949573497659 (1.10444e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 4.451949570787107 (6.08846e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 4.451949569043551 (3.91639e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 4.451949566780466 (5.08336e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.451949562367793 (9.91178e-08% change) large trace change predicted (2.08746e-07%) linmin: converged after 2 iterations. iteration 43: trace = 4.451949553074521 (2.08746e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 4.451949540843078 (2.74744e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 4.451949529999953 (2.43559e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 4.451949523238304 (1.51881e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 4.451949519159151 (9.16262e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 4.451949516240864 (6.55508e-08% change) linmin: converged after 5 iterations. iteration 49: trace = 4.451949514432178 (4.06268e-08% change) linmin: converged after 3 iterations. iteration 50: trace = 4.451949513681809 (1.68548e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.451949513453071 (5.13793e-09% change) linmin: converged after 12 iterations. iteration 52: trace = 4.451949513392949 (1.35046e-09% change) linmin: converged after 3 iterations. iteration 53: trace = 4.451949513373067 (4.46608e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 4.451949513363684 (2.10755e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 4.451949513358428 (1.18066e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 4.451949513355888 (5.7038e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.35085415840148926 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.47594446708455 (0.531645% change) linmin: converged after 4 iterations. iteration 2: trace = 4.470049557564652 (0.131789% change) linmin: converged after 3 iterations. iteration 3: trace = 4.468237947747928 (0.0405359% change) linmin: converged after 3 iterations. iteration 4: trace = 4.467329142575571 (0.0203413% change) linmin: converged after 4 iterations. iteration 5: trace = 4.466696419379508 (0.0141643% change) linmin: converged after 4 iterations. iteration 6: trace = 4.466267349480991 (0.00960644% change) linmin: converged after 4 iterations. iteration 7: trace = 4.465882291995668 (0.00862183% change) linmin: converged after 4 iterations. iteration 8: trace = 4.465603095551343 (0.00625196% change) linmin: converged after 3 iterations. iteration 9: trace = 4.465254970880233 (0.007796% change) large trace change predicted (0.015835%) linmin: converged after 3 iterations. iteration 10: trace = 4.464548380044759 (0.0158255% change) large trace change predicted (0.0385932%) linmin: converged after 6 iterations. iteration 11: trace = 4.462859568819666 (0.0378343% change) linmin: converged after 10 iterations. iteration 12: trace = 4.460811970277925 (0.0458914% change) linmin: converged after 6 iterations. iteration 13: trace = 4.459584283478679 (0.0275254% change) linmin: converged after 4 iterations. iteration 14: trace = 4.459118661364628 (0.0104415% change) linmin: converged after 7 iterations. iteration 15: trace = 4.458964421199068 (0.00345904% change) linmin: converged after 3 iterations. iteration 16: trace = 4.458929960323483 (0.000772848% change) linmin: converged after 3 iterations. iteration 17: trace = 4.458912092727452 (0.000400716% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458904032336828 (0.000180771% change) linmin: converged after 3 iterations. iteration 19: trace = 4.458899161081643 (0.000109248% change) linmin: converged after 4 iterations. iteration 20: trace = 4.458897017351457 (4.80776e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 4.45889596075534 (2.36964e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.458895419253098 (1.21443e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.458895086285063 (7.4675e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.458894672876793 (9.27154e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 4.458893966784354 (1.58356e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.458892812036253 (2.58976e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458891509286692 (2.92169e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458890473613824 (2.32271e-05% change) linmin: converged after 7 iterations. iteration 29: trace = 4.458889874545344 (1.34354e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.458889622685652 (5.64848e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 4.45888952643595 (2.1586e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 4.458889488492838 (8.50954e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 4.458889473720224 (3.31307e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 4.45888946816392 (1.24612e-07% change) linmin: converged after 3 iterations. iteration 35: trace = 4.458889466116759 (4.59119e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 4.45888946524228 (1.9612e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 4.458889464752234 (1.09903e-08% change) linmin: converged after 18 iterations. iteration 38: trace = 4.4588894644632 (6.48219e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 4.458889464280369 (4.10038e-09% change) linmin: converged after 4 iterations. iteration 40: trace = 4.458889464100636 (4.03088e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 4.458889463833435 (5.99255e-09% change) linmin: converged after 7 iterations. iteration 42: trace = 4.458889463451232 (8.5717e-09% change) linmin: converged after 8 iterations. iteration 43: trace = 4.458889462992349 (1.02914e-08% change) linmin: converged after 7 iterations. iteration 44: trace = 4.458889462497352 (1.11014e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 4.458889462139591 (8.02354e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 4.458889461932944 (4.63448e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 4.458889461821264 (2.50467e-09% change) linmin: converged after 6 iterations. iteration 48: trace = 4.458889461773406 (1.07331e-09% change) linmin: converged after 5 iterations. iteration 49: trace = 4.458889461754992 (4.12986e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 4.458889461749086 (1.32443e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 4.458889461747212 (4.20297e-11% change) Finished solving for bands 1 to 8 after 51 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546 elapsed time for k point: 0.4138753414154053 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.492158134805232 (0.545791% change) linmin: converged after 5 iterations. iteration 2: trace = 4.485756356464682 (0.142612% change) linmin: converged after 4 iterations. iteration 3: trace = 4.48359772319342 (0.0481335% change) linmin: converged after 4 iterations. iteration 4: trace = 4.482688838957788 (0.0202734% change) linmin: converged after 4 iterations. iteration 5: trace = 4.482289052223193 (0.00891886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.482111886539243 (0.00395265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.481989042618931 (0.0027408% change) linmin: converged after 4 iterations. iteration 8: trace = 4.481900761942899 (0.0019697% change) linmin: converged after 4 iterations. iteration 9: trace = 4.481819566982614 (0.00181164% change) linmin: converged after 4 iterations. iteration 10: trace = 4.481727172834768 (0.00206155% change) linmin: converged after 13 iterations. iteration 11: trace = 4.481640274020332 (0.00193898% change) linmin: converged after 4 iterations. iteration 12: trace = 4.481586984826549 (0.00118906% change) linmin: converged after 5 iterations. iteration 13: trace = 4.481566235482779 (0.000462992% change) linmin: converged after 4 iterations. iteration 14: trace = 4.481558614049679 (0.000170062% change) linmin: converged after 4 iterations. iteration 15: trace = 4.481555960259477 (5.92158e-05% change) linmin: converged after 18 iterations. iteration 16: trace = 4.481555115788896 (1.88432e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.481554758617398 (7.96981e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.481554675435327 (1.8561e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 4.481554649662253 (5.75092e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.481554642967519 (1.49384e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.481554640848156 (4.72908e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 4.481554640163128 (1.52855e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.481554639855202 (6.87097e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 4.481554639686879 (3.75591e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 4.481554639614053 (1.625e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.48155463958997 (5.3738e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.481554639582904 (1.57676e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.481554639580319 (5.76719e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022 elapsed time for k point: 0.35201168060302734 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.54301972900394 (0.515577% change) linmin: converged after 4 iterations. iteration 2: trace = 4.537380948842903 (0.124197% change) linmin: converged after 4 iterations. iteration 3: trace = 4.535410322902087 (0.0434403% change) linmin: converged after 4 iterations. iteration 4: trace = 4.534688093386124 (0.0159255% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534407372590857 (0.00619071% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534314483921439 (0.00204855% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534272775355565 (0.000919847% change) linmin: converged after 5 iterations. iteration 8: trace = 4.53425640839527 (0.000360962% change) linmin: converged after 4 iterations. iteration 9: trace = 4.53425029643229 (0.000134795% change) linmin: converged after 5 iterations. iteration 10: trace = 4.534247094432772 (7.06181e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.534244850401082 (4.94907e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.534242751425728 (4.62916e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.534241209054622 (3.40161e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.534240295109358 (2.01565e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.534239883207084 (9.08426e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.534239659653652 (4.93034e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.534239494917887 (3.63315e-06% change) linmin: converged after 9 iterations. iteration 18: trace = 4.53423941526584 (1.75668e-06% change) linmin: converged after 17 iterations. iteration 19: trace = 4.534239379667346 (7.85104e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.534239370364457 (2.0517e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.534239368024673 (5.16026e-08% change) linmin: converged after 15 iterations. iteration 22: trace = 4.534239367497578 (1.16248e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 4.534239367336916 (3.54332e-09% change) linmin: converged after 9 iterations. iteration 24: trace = 4.534239367284071 (1.16546e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.534239367267459 (3.66359e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.534239367261488 (1.31692e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.534239367259118 (5.22811e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658 elapsed time for k point: 0.3049783706665039 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.621404992372711 (0.557147% change) linmin: converged after 4 iterations. iteration 2: trace = 4.6140413474812 (0.159465% change) linmin: converged after 4 iterations. iteration 3: trace = 4.61047769647457 (0.0772648% change) linmin: converged after 4 iterations. iteration 4: trace = 4.608710813617704 (0.0383306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.60786323375121 (0.0183925% change) linmin: converged after 4 iterations. iteration 6: trace = 4.607531544207422 (0.0071986% change) linmin: converged after 4 iterations. iteration 7: trace = 4.607374227312376 (0.0034144% change) linmin: converged after 4 iterations. iteration 8: trace = 4.607318349687175 (0.00121279% change) linmin: converged after 4 iterations. iteration 9: trace = 4.607296971209591 (0.000464012% change) linmin: converged after 5 iterations. iteration 10: trace = 4.607286359307485 (0.000230328% change) linmin: converged after 5 iterations. iteration 11: trace = 4.607280058156396 (0.000136765% change) linmin: converged after 5 iterations. iteration 12: trace = 4.607276056851829 (8.68475e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.607274338045066 (3.73064e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 4.607273686828223 (1.41345e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.60727349105639 (4.24919e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.607273423326171 (1.47007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.60727339645474 (5.83239e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.607273383999384 (2.70341e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.607273373222187 (2.33917e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.607273363837915 (2.03684e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.607273356409584 (1.61231e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.607273352713705 (8.02184e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.607273351035127 (3.64332e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.607273350488983 (1.1854e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.607273350318332 (3.70395e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.607273350261742 (1.22828e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 4.607273350235106 (5.7812e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.607273350217991 (3.71482e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.607273350209259 (1.8952e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.607273350205848 (7.40265e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191 elapsed time for k point: 0.30260539054870605 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692438286201939 (0.712878% change) linmin: converged after 5 iterations. iteration 2: trace = 4.67858755927342 (0.295607% change) linmin: converged after 5 iterations. iteration 3: trace = 4.669219826103069 (0.200426% change) linmin: converged after 5 iterations. iteration 4: trace = 4.662995938259231 (0.133385% change) linmin: converged after 4 iterations. iteration 5: trace = 4.659382161777872 (0.0775291% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65741179558654 (0.0422971% change) linmin: converged after 4 iterations. iteration 7: trace = 4.656216146536877 (0.0256753% change) linmin: converged after 4 iterations. iteration 8: trace = 4.655574406992827 (0.0137834% change) linmin: converged after 4 iterations. iteration 9: trace = 4.655148468920621 (0.00914941% change) linmin: converged after 4 iterations. iteration 10: trace = 4.654836684042732 (0.00669786% change) linmin: converged after 4 iterations. iteration 11: trace = 4.654665296959346 (0.00368198% change) linmin: converged after 4 iterations. iteration 12: trace = 4.654604621969572 (0.00130354% change) linmin: converged after 5 iterations. iteration 13: trace = 4.654589608102698 (0.00032256% change) linmin: converged after 4 iterations. iteration 14: trace = 4.654585491988865 (8.84313e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.654584391756915 (2.36376e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.654584007912179 (8.2466e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.654583872099503 (2.91783e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.654583818003201 (1.16222e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.654583786952053 (6.67109e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.654583768788886 (3.90221e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.654583758229811 (2.26853e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.654583754130684 (8.80665e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.654583752195758 (4.15703e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.654583750968559 (2.63654e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.654583749955052 (2.17744e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 4.654583749144854 (1.74064e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 4.654583748504239 (1.37631e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 4.654583748161551 (7.36237e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 4.65458374803795 (2.65546e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 4.654583747984037 (1.15828e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 4.654583747952655 (6.74217e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 4.654583747932777 (4.2707e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.65458374792053 (2.63119e-10% change) linmin: converged after 5 iterations. iteration 34: trace = 4.654583747914256 (1.34794e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.654583747911483 (5.95734e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797 elapsed time for k point: 0.27045369148254395 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.663405538594692 (0.126187% change) linmin: converged after 4 iterations. iteration 2: trace = 4.661028794315041 (0.0509788% change) linmin: converged after 4 iterations. iteration 3: trace = 4.659462455612591 (0.0336106% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658444596655547 (0.0218474% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658018186979108 (0.0091539% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657889867112099 (0.00275485% change) linmin: converged after 4 iterations. iteration 7: trace = 4.657833401920459 (0.00121226% change) linmin: converged after 5 iterations. iteration 8: trace = 4.65781204755369 (0.000458462% change) linmin: converged after 5 iterations. iteration 9: trace = 4.657804893687837 (0.000153589% change) linmin: converged after 2 iterations. iteration 10: trace = 4.657803287529403 (3.44832e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.657802747123242 (1.16022e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.657802583154767 (3.5203e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 4.65780251250674 (1.51677e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.6578024827709 (6.38409e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 4.657802459850044 (4.92096e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.657802440944282 (4.05894e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 4.657802424135099 (3.60882e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.657802413141304 (2.3603e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.657802408226822 (1.05511e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.657802405927214 (4.93711e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.657802404388961 (3.30253e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.657802403523613 (1.85785e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.657802403119728 (8.67115e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 4.657802402939369 (3.87219e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.657802402884991 (1.16746e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.657802402867798 (3.6913e-10% change) linmin: converged after 11 iterations. iteration 27: trace = 4.657802402862908 (1.04992e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.657802402861526 (2.96708e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 elapsed time for k point: 0.22553777694702148 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.672735728065847 (0.129732% change) linmin: converged after 4 iterations. iteration 2: trace = 4.670213935694965 (0.0539828% change) linmin: converged after 9 iterations. iteration 3: trace = 4.668592631123381 (0.0347219% change) linmin: converged after 4 iterations. iteration 4: trace = 4.667637099611373 (0.0204693% change) linmin: converged after 4 iterations. iteration 5: trace = 4.667264545138923 (0.00798197% change) linmin: converged after 4 iterations. iteration 6: trace = 4.667162918370009 (0.00217746% change) linmin: converged after 4 iterations. iteration 7: trace = 4.667121297309043 (0.000891789% change) linmin: converged after 4 iterations. iteration 8: trace = 4.667105889510089 (0.000330136% change) linmin: converged after 5 iterations. iteration 9: trace = 4.667099608686899 (0.000134576% change) linmin: converged after 3 iterations. iteration 10: trace = 4.667097710975308 (4.06615e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.667096867241917 (1.80783e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.667096564921277 (6.4777e-06% change) linmin: converged after 14 iterations. iteration 13: trace = 4.66709642353641 (3.0294e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.667096341918578 (1.74879e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.667096252445055 (1.91711e-06% change) linmin: converged after 20 iterations. iteration 16: trace = 4.667096174501475 (1.67007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.667096128228516 (9.91472e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.667096109587968 (3.99404e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.667096103667988 (1.26845e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.667096101434449 (4.78571e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 4.667096100309831 (2.40967e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 4.667096099663392 (1.3851e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.667096099284753 (8.11295e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.66709609908991 (4.17481e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.66709609900776 (1.7602e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.667096098964764 (9.21254e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.667096098939577 (5.39671e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.667096098919733 (4.25202e-10% change) linmin: converged after 8 iterations. iteration 29: trace = 4.667096098902281 (3.73933e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.667096098892164 (2.16778e-10% change) linmin: converged after 15 iterations. iteration 31: trace = 4.667096098888665 (7.49617e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 elapsed time for k point: 0.3355686664581299 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.687244093032177 (0.138258% change) linmin: converged after 4 iterations. iteration 2: trace = 4.68450112164773 (0.058537% change) linmin: converged after 3 iterations. iteration 3: trace = 4.682869930576683 (0.0348271% change) linmin: converged after 4 iterations. iteration 4: trace = 4.682034068316317 (0.017851% change) linmin: converged after 4 iterations. iteration 5: trace = 4.681730640008873 (0.0064809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.681655106922102 (0.00161337% change) linmin: converged after 3 iterations. iteration 7: trace = 4.681629472566263 (0.000547551% change) linmin: converged after 4 iterations. iteration 8: trace = 4.681621443725991 (0.000171497% change) linmin: converged after 4 iterations. iteration 9: trace = 4.681618077224002 (7.19089e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.681616737998083 (2.86061e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.681615858546355 (1.87852e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.681615429378891 (9.16708e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.681615194362362 (5.01999e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.681615039712051 (3.30335e-06% change) linmin: converged after 6 iterations. iteration 15: trace = 4.681614869242017 (3.64127e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 4.681614726230351 (3.05475e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.681614658041417 (1.45653e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.681614630400924 (5.90405e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.68161462095171 (2.01837e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.681614615856853 (1.08827e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.681614612123163 (7.97522e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.681614608813805 (7.06884e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.68161460661389 (4.69905e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.681614605684865 (1.98441e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 4.681614605285612 (8.52811e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.681614605099324 (3.97913e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 4.681614605024981 (1.58798e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 4.681614605000406 (5.24926e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 4.681614604988978 (2.44108e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 4.681614604983472 (1.17605e-10% change) linmin: converged after 17 iterations. iteration 31: trace = 4.681614604980835 (5.63268e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805 elapsed time for k point: 0.3469865322113037 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.705683450233832 (0.150475% change) linmin: converged after 4 iterations. iteration 2: trace = 4.702693967398454 (0.0635494% change) linmin: converged after 4 iterations. iteration 3: trace = 4.701070860685245 (0.0345204% change) linmin: converged after 4 iterations. iteration 4: trace = 4.700326710701877 (0.0158306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.700066397544942 (0.00553835% change) linmin: converged after 4 iterations. iteration 6: trace = 4.699999664100543 (0.00141985% change) linmin: converged after 3 iterations. iteration 7: trace = 4.699978616958633 (0.000447813% change) linmin: converged after 4 iterations. iteration 8: trace = 4.699972034548925 (0.000140052% change) linmin: converged after 4 iterations. iteration 9: trace = 4.699969000630877 (6.45519e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.699967170929802 (3.89301e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.699965319407021 (3.93944e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.699964030426752 (2.74253e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.699963193699698 (1.78028e-05% change) linmin: converged after 13 iterations. iteration 14: trace = 4.699962560785059 (1.34664e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.699961832691024 (1.54915e-05% change) linmin: converged after 8 iterations. iteration 16: trace = 4.699961225600806 (1.29169e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.699960906583666 (6.78765e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.699960737235768 (3.60318e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.699960644725966 (1.96831e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.699960592889878 (1.1029e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 4.699960564066775 (6.13263e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.699960551853538 (2.59858e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.69996054723549 (9.82572e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.699960545971039 (2.69034e-08% change) linmin: converged after 16 iterations. iteration 25: trace = 4.699960545396193 (1.22309e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 4.699960545062289 (7.10439e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 4.699960544894044 (3.57971e-09% change) linmin: converged after 8 iterations. iteration 28: trace = 4.699960544831154 (1.3381e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 4.699960544805101 (5.54341e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.699960544792848 (2.60692e-10% change) linmin: converged after 8 iterations. iteration 31: trace = 4.699960544786444 (1.36251e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 4.699960544782283 (8.85351e-11% change) Finished solving for bands 1 to 8 after 32 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946 elapsed time for k point: 0.3624105453491211 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.726091835505287 (0.165622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.722802797492552 (0.0696174% change) linmin: converged after 4 iterations. iteration 3: trace = 4.721109191086882 (0.0358666% change) linmin: converged after 4 iterations. iteration 4: trace = 4.720325201509452 (0.0166074% change) linmin: converged after 4 iterations. iteration 5: trace = 4.72002872799142 (0.00628098% change) linmin: converged after 4 iterations. iteration 6: trace = 4.719918630346546 (0.00233259% change) linmin: converged after 4 iterations. iteration 7: trace = 4.719865321785012 (0.00112944% change) linmin: converged after 4 iterations. iteration 8: trace = 4.719831657789942 (0.000713243% change) linmin: converged after 4 iterations. iteration 9: trace = 4.71980741335517 (0.000513673% change) linmin: converged after 5 iterations. iteration 10: trace = 4.719790508681744 (0.000358165% change) linmin: converged after 5 iterations. iteration 11: trace = 4.719779814604564 (0.00022658% change) linmin: converged after 4 iterations. iteration 12: trace = 4.719770348472877 (0.000200563% change) linmin: converged after 5 iterations. iteration 13: trace = 4.719756280307735 (0.000298069% change) large trace change predicted (0.000793235%) linmin: converged after 15 iterations. iteration 14: trace = 4.719718876294719 (0.000792502% change) large trace change predicted (0.00173209%) linmin: converged after 4 iterations. iteration 15: trace = 4.719637476238337 (0.0017247% change) linmin: converged after 3 iterations. iteration 16: trace = 4.719538716015165 (0.00209256% change) linmin: converged after 6 iterations. iteration 17: trace = 4.719446199514753 (0.00196031% change) linmin: converged after 5 iterations. iteration 18: trace = 4.719342067157387 (0.00220648% change) linmin: converged after 4 iterations. iteration 19: trace = 4.719250145660985 (0.00194778% change) linmin: converged after 4 iterations. iteration 20: trace = 4.719204779897166 (0.000961296% change) linmin: converged after 3 iterations. iteration 21: trace = 4.719181996963679 (0.000482772% change) linmin: converged after 3 iterations. iteration 22: trace = 4.71917349179555 (0.000180226% change) linmin: converged after 3 iterations. iteration 23: trace = 4.719169509308651 (8.43895e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.719167458935975 (4.34478e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 4.719165917310743 (3.26673e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.71916510764345 (1.7157e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 4.719164862213012 (5.20072e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 4.719164785194017 (1.63205e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 4.719164760924096 (5.14284e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 4.719164750429895 (2.22374e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 4.719164743982211 (1.36628e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 4.719164738001871 (1.26725e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 4.719164732533893 (1.15867e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 4.719164729191952 (7.08164e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 4.719164727748357 (3.05901e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 4.71916472725019 (1.05563e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 4.719164726984241 (5.63551e-09% change) linmin: converged after 9 iterations. iteration 38: trace = 4.719164726836323 (3.13441e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 4.719164726707298 (2.73406e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 4.719164726548755 (3.35956e-09% change) linmin: converged after 10 iterations. iteration 41: trace = 4.719164726296947 (5.33585e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 4.719164725852078 (9.42686e-09% change) linmin: converged after 13 iterations. iteration 43: trace = 4.719164725066077 (1.66555e-08% change) linmin: converged after 14 iterations. iteration 44: trace = 4.71916472372212 (2.84787e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 4.719164722419702 (2.75985e-08% change) linmin: converged after 16 iterations. iteration 46: trace = 4.719164721562477 (1.81648e-08% change) linmin: converged after 21 iterations. iteration 47: trace = 4.719164720988466 (1.21634e-08% change) linmin: converged after 12 iterations. iteration 48: trace = 4.719164720623193 (7.74021e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 4.71916472038204 (5.11008e-09% change) linmin: converged after 10 iterations. iteration 50: trace = 4.719164720281913 (2.12171e-09% change) linmin: converged after 4 iterations. iteration 51: trace = 4.719164720241513 (8.56096e-10% change) linmin: converged after 5 iterations. iteration 52: trace = 4.719164720225395 (3.41539e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 4.719164720218767 (1.4044e-10% change) linmin: converged after 5 iterations. iteration 54: trace = 4.719164720216025 (5.81182e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 elapsed time for k point: 0.6000895500183105 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692944380167901 (0.970793% change) linmin: converged after 5 iterations. iteration 2: trace = 4.672476472712366 (0.437095% change) linmin: converged after 5 iterations. iteration 3: trace = 4.66134504154787 (0.238518% change) linmin: converged after 5 iterations. iteration 4: trace = 4.656898551873837 (0.0954362% change) linmin: converged after 4 iterations. iteration 5: trace = 4.655008764250136 (0.0405886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65439933608623 (0.0130927% change) linmin: converged after 4 iterations. iteration 7: trace = 4.654116590783703 (0.00607498% change) linmin: converged after 4 iterations. iteration 8: trace = 4.654018455429475 (0.00210859% change) linmin: converged after 4 iterations. iteration 9: trace = 4.653979714231966 (0.000832428% change) linmin: converged after 4 iterations. iteration 10: trace = 4.653965914128501 (0.000296523% change) linmin: converged after 4 iterations. iteration 11: trace = 4.653960270293428 (0.000121269% change) linmin: converged after 4 iterations. iteration 12: trace = 4.653958279342972 (4.27797e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.653957534859846 (1.59968e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.653957210162117 (6.97681e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.65395702585214 (3.96029e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.653956928560747 (2.09051e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.653956875769952 (1.13432e-06% change) linmin: converged after 13 iterations. iteration 18: trace = 4.653956841201484 (7.42776e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 4.653956819085474 (4.75209e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 4.653956809935063 (1.96616e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.653956806517482 (7.34339e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.653956805199021 (2.83299e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.65395680466305 (1.15165e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.653956804367976 (6.34029e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.653956804189207 (3.84123e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.65395680409557 (2.01199e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 4.653956804061929 (7.2284e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.653956804052053 (2.12199e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.65395680404941 (5.67951e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842 elapsed time for k point: 0.3240041732788086 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.588920978578234 (0.874534% change) linmin: converged after 4 iterations. iteration 2: trace = 4.575249860619992 (0.29836% change) linmin: converged after 4 iterations. iteration 3: trace = 4.569227615780098 (0.131713% change) linmin: converged after 4 iterations. iteration 4: trace = 4.567129923726858 (0.0459197% change) linmin: converged after 4 iterations. iteration 5: trace = 4.566231478753179 (0.0196739% change) linmin: converged after 4 iterations. iteration 6: trace = 4.565933792276804 (0.00651952% change) linmin: converged after 4 iterations. iteration 7: trace = 4.565803133406301 (0.00286164% change) linmin: converged after 4 iterations. iteration 8: trace = 4.565757220078061 (0.0010056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.565743625954823 (0.000297741% change) linmin: converged after 4 iterations. iteration 10: trace = 4.565739612896303 (8.7895e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.565738200055283 (3.09444e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.565737746810887 (9.92708e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.565737597483525 (3.27061e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.565737552537141 (9.84428e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.565737539290494 (2.90132e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.565737535646702 (7.98073e-08% change) linmin: converged after 8 iterations. iteration 17: trace = 4.565737534603485 (2.28488e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.565737534315074 (6.31686e-09% change) linmin: converged after 5 iterations. iteration 19: trace = 4.565737534206797 (2.37151e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.565737534143939 (1.37674e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.565737534100027 (9.61782e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 4.565737534070947 (6.36915e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.56573753405284 (3.96591e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 4.56573753404194 (2.38729e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.56573753403582 (1.34032e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.565737534032801 (6.61212e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032 elapsed time for k point: 0.10250425338745117 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.508620212892092 (0.753199% change) linmin: converged after 4 iterations. iteration 2: trace = 4.499716957737254 (0.197667% change) linmin: converged after 3 iterations. iteration 3: trace = 4.496660861798947 (0.0679406% change) linmin: converged after 4 iterations. iteration 4: trace = 4.495746516235535 (0.0203359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.495430397031106 (0.00703176% change) linmin: converged after 4 iterations. iteration 6: trace = 4.495345271640709 (0.00189362% change) linmin: converged after 4 iterations. iteration 7: trace = 4.495315544672337 (0.000661286% change) linmin: converged after 5 iterations. iteration 8: trace = 4.495303649148995 (0.000264621% change) linmin: converged after 3 iterations. iteration 9: trace = 4.495300564167791 (6.86268e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.495299803160997 (1.69289e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 4.495299629871562 (3.8549e-06% change) linmin: converged after 5 iterations. iteration 12: trace = 4.495299593694352 (8.04779e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.495299585129781 (1.90523e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 4.4952995829639 (4.8181e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.49529958214405 (1.8238e-08% change) linmin: converged after 28 iterations. iteration 16: trace = 4.495299581549299 (1.32305e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.495299580823784 (1.61394e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 4.495299579922003 (2.00605e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.495299579325445 (1.32707e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.49529957906551 (5.78236e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 4.49529957896095 (2.326e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.49529957891384 (1.04798e-09% change) linmin: converged after 6 iterations. iteration 23: trace = 4.495299578893935 (4.42795e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 4.495299578886663 (1.61758e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.495299578884336 (5.17658e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567 elapsed time for k point: 0.08965778350830078 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.473866004790979 (0.70844% change) linmin: converged after 4 iterations. iteration 2: trace = 4.466337931880157 (0.168409% change) linmin: converged after 4 iterations. iteration 3: trace = 4.464014970093497 (0.052024% change) linmin: converged after 3 iterations. iteration 4: trace = 4.463224313439719 (0.0177134% change) linmin: converged after 3 iterations. iteration 5: trace = 4.462870601137268 (0.00792535% change) linmin: converged after 3 iterations. iteration 6: trace = 4.462724153332467 (0.00328152% change) linmin: converged after 3 iterations. iteration 7: trace = 4.462635338597414 (0.00199017% change) linmin: converged after 4 iterations. iteration 8: trace = 4.46258977672777 (0.00102097% change) linmin: converged after 4 iterations. iteration 9: trace = 4.462576102002991 (0.000306431% change) linmin: converged after 5 iterations. iteration 10: trace = 4.462571864667408 (9.49527e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.462570546980006 (2.95275e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.462570139814242 (9.12402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.462570010886544 (2.88909e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.462569981202189 (6.65185e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.462569970590501 (2.37793e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.462569966989759 (8.06876e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.462569964422028 (5.75393e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.462569961021078 (7.62106e-08% change) large trace change predicted (1.59484e-07%) linmin: converged after 4 iterations. iteration 19: trace = 4.462569953904024 (1.59483e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.46256994368324 (2.29034e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.462569934609524 (2.03329e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 4.462569927927913 (1.49726e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.462569924053902 (8.68112e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.462569921863484 (4.90842e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 4.462569921105942 (1.69755e-08% change) linmin: converged after 18 iterations. iteration 26: trace = 4.462569920846194 (5.82059e-09% change) linmin: converged after 18 iterations. iteration 27: trace = 4.462569920755986 (2.02143e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 4.462569920708029 (1.07465e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 4.462569920679469 (6.39996e-10% change) linmin: converged after 15 iterations. iteration 30: trace = 4.462569920665285 (3.17848e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.462569920661394 (8.71745e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423 elapsed time for k point: 0.20091652870178223 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.478658555603819 (0.729587% change) linmin: converged after 5 iterations. iteration 2: trace = 4.469039616062341 (0.215004% change) linmin: converged after 4 iterations. iteration 3: trace = 4.465022814409604 (0.0899211% change) linmin: converged after 4 iterations. iteration 4: trace = 4.462099683144574 (0.0654888% change) linmin: converged after 5 iterations. iteration 5: trace = 4.460047398383897 (0.0460043% change) linmin: converged after 4 iterations. iteration 6: trace = 4.459144908739186 (0.020237% change) linmin: converged after 4 iterations. iteration 7: trace = 4.458741257123712 (0.00905263% change) linmin: converged after 4 iterations. iteration 8: trace = 4.458626601085926 (0.00257152% change) linmin: converged after 4 iterations. iteration 9: trace = 4.458596309902849 (0.000679386% change) linmin: converged after 5 iterations. iteration 10: trace = 4.458587755439019 (0.000191865% change) linmin: converged after 6 iterations. iteration 11: trace = 4.458585207925357 (5.71372e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 4.45858449001386 (1.61018e-05% change) linmin: converged after 24 iterations. iteration 13: trace = 4.458584277335135 (4.7701e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.458584200806313 (1.71644e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458584152120826 (1.09195e-06% change) linmin: converged after 14 iterations. iteration 16: trace = 4.458584133462662 (4.18477e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.458584124789706 (1.94523e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458584118093987 (1.50176e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.458584108089635 (2.24384e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.458584093760502 (3.21383e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.458584070135795 (5.2987e-07% change) large trace change predicted (1.49556e-06%) linmin: converged after 12 iterations. iteration 22: trace = 4.458584003454766 (1.49557e-06% change) large trace change predicted (5.07369e-06%) linmin: converged after 3 iterations. iteration 23: trace = 4.458583777248651 (5.0735e-06% change) near maximum in trace linmin: converged after 18 iterations. iteration 24: trace = 4.458459762226113 (0.00278153% change) linmin: converged after 8 iterations. iteration 25: trace = 4.458458097222653 (3.73448e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.458456435414942 (3.72732e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458454780836334 (3.7111e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458453133770327 (3.69425e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 4.458451492344961 (3.6816e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 4.458449853546941 (3.67571e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 4.458448213826725 (3.67778e-05% change) linmin: converged after 9 iterations. iteration 32: trace = 4.458446569444464 (3.68824e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 4.458444916661476 (3.70708e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 4.458443251842857 (3.73408e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 4.458441571511066 (3.76888e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.458439872373875 (3.81106e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 4.45843815133906 (3.86017e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 4.458436405527778 (3.91575e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 4.458434632293662 (3.97726e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.458432829221961 (4.04418e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 4.458430994161017 (4.11593e-05% change) linmin: converged after 14 iterations. iteration 42: trace = 4.458429125248355 (4.19186e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 4.458427220938673 (4.27126e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.458425280015929 (4.35338e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 4.458423301666431 (4.43733e-05% change) linmin: converged after 8 iterations. iteration 46: trace = 4.458421285489043 (4.52218e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 4.458419231568029 (4.60684e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.458417140375668 (4.69044e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 4.458415012986048 (4.77163e-05% change) linmin: converged after 9 iterations. iteration 50: trace = 4.458412850959375 (4.84932e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 4.458410656393371 (4.9223e-05% change) linmin: converged after 10 iterations. iteration 52: trace = 4.458408431819379 (4.98961e-05% change) linmin: converged after 15 iterations. iteration 53: trace = 4.458406180361353 (5.04992e-05% change) linmin: converged after 7 iterations. iteration 54: trace = 4.458403905412517 (5.10261e-05% change) linmin: converged after 7 iterations. iteration 55: trace = 4.45840161065304 (5.14704e-05% change) linmin: converged after 16 iterations. iteration 56: trace = 4.458399300195559 (5.18226e-05% change) linmin: converged after 9 iterations. iteration 57: trace = 4.458396978238211 (5.20805e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 4.458394649064632 (5.22424e-05% change) linmin: converged after 11 iterations. iteration 59: trace = 4.45839231672281 (5.23135e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 4.458389985422865 (5.22902e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 4.458387658799612 (5.21853e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 4.458385340460435 (5.19995e-05% change) linmin: converged after 5 iterations. iteration 63: trace = 4.458383033641146 (5.17412e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 4.458380740987514 (5.14234e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 4.458378464950087 (5.10508e-05% change) linmin: converged after 9 iterations. iteration 66: trace = 4.458376207509239 (5.06337e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 4.458373970256708 (5.01809e-05% change) linmin: converged after 7 iterations. iteration 68: trace = 4.458371754419538 (4.97006e-05% change) linmin: converged after 6 iterations. iteration 69: trace = 4.458369560891834 (4.92002e-05% change) resetting CG direction... large trace change predicted (0.0705967%) linmin: converged after 3 iterations. iteration 70: trace = 4.455218432031194 (0.0707039% change) linmin: converged after 3 iterations. iteration 71: trace = 4.454076300097985 (0.0256391% change) linmin: converged after 3 iterations. iteration 72: trace = 4.453233408933235 (0.0189258% change) linmin: converged after 3 iterations. iteration 73: trace = 4.452750380332034 (0.0108473% change) linmin: converged after 3 iterations. iteration 74: trace = 4.45248621999205 (0.0059327% change) linmin: converged after 3 iterations. iteration 75: trace = 4.45238135297291 (0.00235527% change) linmin: converged after 4 iterations. iteration 76: trace = 4.452332140018962 (0.00110532% change) linmin: converged after 3 iterations. iteration 77: trace = 4.452312679335096 (0.000437091% change) linmin: converged after 3 iterations. iteration 78: trace = 4.452300707160372 (0.000268898% change) linmin: converged after 3 iterations. iteration 79: trace = 4.452288391133961 (0.000276622% change) linmin: converged after 4 iterations. iteration 80: trace = 4.452272801291765 (0.000350154% change) linmin: converged after 4 iterations. iteration 81: trace = 4.452249228852717 (0.000529449% change) linmin: converged after 3 iterations. iteration 82: trace = 4.452204258025057 (0.00101007% change) linmin: converged after 4 iterations. iteration 83: trace = 4.452119844389218 (0.00189601% change) linmin: converged after 3 iterations. iteration 84: trace = 4.45203054303226 (0.00200584% change) linmin: converged after 5 iterations. iteration 85: trace = 4.451975522790121 (0.00123585% change) linmin: converged after 3 iterations. iteration 86: trace = 4.451956336683962 (0.000430958% change) linmin: converged after 3 iterations. iteration 87: trace = 4.451951182947111 (0.000115763% change) linmin: converged after 3 iterations. iteration 88: trace = 4.45194992695437 (2.82122e-05% change) linmin: converged after 2 iterations. iteration 89: trace = 4.451949633717591 (6.5867e-06% change) linmin: converged after 2 iterations. iteration 90: trace = 4.451949555039655 (1.76727e-06% change) linmin: converged after 2 iterations. iteration 91: trace = 4.451949527224505 (6.24786e-07% change) linmin: converged after 20 iterations. iteration 92: trace = 4.451949519989437 (1.62515e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 4.451949518321356 (3.74686e-08% change) linmin: converged after 3 iterations. iteration 94: trace = 4.451949517531383 (1.77444e-08% change) linmin: converged after 3 iterations. iteration 95: trace = 4.45194951701959 (1.14959e-08% change) linmin: converged after 11 iterations. iteration 96: trace = 4.451949516565071 (1.02094e-08% change) linmin: converged after 2 iterations. iteration 97: trace = 4.451949516311299 (5.70025e-09% change) linmin: converged after 2 iterations. iteration 98: trace = 4.45194951618584 (2.81806e-09% change) linmin: converged after 3 iterations. iteration 99: trace = 4.451949516111402 (1.67202e-09% change) large trace change predicted (3.42048e-09%) linmin: converged after 3 iterations. iteration 100: trace = 4.451949515959129 (3.42038e-09% change) linmin: converged after 5 iterations. iteration 101: trace = 4.45194951567253 (6.43759e-09% change) linmin: converged after 3 iterations. iteration 102: trace = 4.451949515253565 (9.41083e-09% change) linmin: converged after 3 iterations. iteration 103: trace = 4.451949514776373 (1.07187e-08% change) linmin: converged after 2 iterations. iteration 104: trace = 4.451949514168423 (1.36558e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 4.451949513641425 (1.18375e-08% change) linmin: converged after 3 iterations. iteration 106: trace = 4.45194951344526 (4.40627e-09% change) linmin: converged after 12 iterations. iteration 107: trace = 4.451949513374773 (1.5833e-09% change) linmin: converged after 2 iterations. iteration 108: trace = 4.451949513356691 (4.06149e-10% change) linmin: converged after 4 iterations. iteration 109: trace = 4.451949513352739 (8.87789e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.6869170665740967 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117474 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.49243428236220704 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.526971050644882 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6568031427446027 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502104 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7383774303752573 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802602 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.825978716470153 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012379 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.8271634538840882 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529559 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 0.9984200611839871 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.0411551252079025 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2993049473117474) to band 2 (0.49243428236220704), 48.78609719263048% Gap from band 5 (0.7988168792802602) to band 6 (0.825978716470153), 3.343415905475546% Gap from band 7 (0.9834563303529559) to band 8 (0.9984200611839871), 1.5100569233207162% total elapsed time for run: 5.2727251052856445 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.010248422622680664 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 9.345806662498543 (196.355% change) linmin: converged after 7 iterations. iteration 2: trace = 3.455682105603809 (92.0225% change) linmin: converged after 5 iterations. iteration 3: trace = 2.964925980590619 (15.2869% change) linmin: converged after 5 iterations. iteration 4: trace = 2.881973434637948 (2.83749% change) linmin: converged after 5 iterations. iteration 5: trace = 2.868382752776488 (0.47269% change) linmin: converged after 4 iterations. iteration 6: trace = 2.865183812544309 (0.111586% change) linmin: converged after 5 iterations. iteration 7: trace = 2.863590833741099 (0.0556132% change) linmin: converged after 4 iterations. iteration 8: trace = 2.862863745162171 (0.025394% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862718556173162 (0.00507159% change) linmin: converged after 7 iterations. iteration 10: trace = 2.862686082422818 (0.00113437% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862646034309393 (0.00139898% change) linmin: converged after 5 iterations. iteration 12: trace = 2.862568116843556 (0.00272191% change) linmin: converged after 5 iterations. iteration 13: trace = 2.862522529156347 (0.00159256% change) linmin: converged after 4 iterations. iteration 14: trace = 2.862507023053621 (0.000541695% change) linmin: converged after 4 iterations. iteration 15: trace = 2.8624970244307 (0.000349297% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862491945372417 (0.000177435% change) linmin: converged after 5 iterations. iteration 17: trace = 2.862490865834021 (3.77132e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 2.8624907260452 (4.88347e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.862490708248829 (6.21709e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 2.862490703921476 (1.51174e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 2.862490700442617 (1.21533e-07% change) linmin: converged after 13 iterations. iteration 22: trace = 2.862490696942737 (1.22267e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 2.862490694617053 (8.12468e-08% change) linmin: converged after 8 iterations. iteration 24: trace = 2.862490692196367 (8.45658e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 2.862490689635969 (8.94465e-08% change) linmin: converged after 6 iterations. iteration 26: trace = 2.862490688812153 (2.87797e-08% change) linmin: converged after 14 iterations. iteration 27: trace = 2.86249068865775 (5.39401e-09% change) linmin: converged after 16 iterations. iteration 28: trace = 2.862490688633992 (8.29988e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 2.862490688625448 (2.98475e-10% change) linmin: converged after 9 iterations. iteration 30: trace = 2.862490688620294 (1.80041e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.86249068861899 (4.55494e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 elapsed time for k point: 0.15670251846313477 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.859266533744322 (1.54925% change) linmin: converged after 5 iterations. iteration 2: trace = 2.842743885401787 (0.579538% change) linmin: converged after 5 iterations. iteration 3: trace = 2.837677720077269 (0.178373% change) linmin: converged after 4 iterations. iteration 4: trace = 2.836732000258409 (0.0333328% change) linmin: converged after 5 iterations. iteration 5: trace = 2.836186496133744 (0.0192319% change) linmin: converged after 5 iterations. iteration 6: trace = 2.835585889967723 (0.0211788% change) linmin: converged after 4 iterations. iteration 7: trace = 2.83532925090223 (0.00905106% change) linmin: converged after 4 iterations. iteration 8: trace = 2.835307580260289 (0.000764311% change) linmin: converged after 4 iterations. iteration 9: trace = 2.835302898412854 (0.000165127% change) linmin: converged after 5 iterations. iteration 10: trace = 2.835301638980056 (4.44197e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 2.835301372354519 (9.40378e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 2.835301336476825 (1.26539e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 2.835301332836303 (1.284e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 2.835301331052824 (6.29026e-08% change) linmin: converged after 9 iterations. iteration 15: trace = 2.835301329637784 (4.99079e-08% change) linmin: converged after 25 iterations. iteration 16: trace = 2.835301328974365 (2.33985e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 2.835301328638409 (1.18491e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.835301328502631 (4.78884e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 2.83530132848065 (7.75249e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 2.835301328478701 (6.87443e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 elapsed time for k point: 0.1188509464263916 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.801047583435341 (1.13558% change) linmin: converged after 5 iterations. iteration 2: trace = 2.796644378333248 (0.157322% change) linmin: converged after 4 iterations. iteration 3: trace = 2.7959288782003 (0.0255875% change) linmin: converged after 4 iterations. iteration 4: trace = 2.795770481181542 (0.00566543% change) linmin: converged after 9 iterations. iteration 5: trace = 2.795670517948602 (0.00357558% change) linmin: converged after 5 iterations. iteration 6: trace = 2.795637812105357 (0.00116988% change) linmin: converged after 5 iterations. iteration 7: trace = 2.795631405060591 (0.00022918% change) linmin: converged after 2 iterations. iteration 8: trace = 2.795630929521838 (1.70101e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.795630880408565 (1.75679e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.795630872968428 (2.66134e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.795630871760073 (4.3223e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.795630871631208 (4.60951e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 2.79563087161296 (6.52735e-10% change) linmin: converged after 9 iterations. iteration 14: trace = 2.795630871602821 (3.62689e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.795630871598374 (1.59058e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 2.795630871597671 (2.5162e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 elapsed time for k point: 0.08964252471923828 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 2.774998560215885 (0.956829% change) linmin: converged after 4 iterations. iteration 2: trace = 2.772244894227236 (0.0992805% change) linmin: converged after 5 iterations. iteration 3: trace = 2.771711795790375 (0.0192317% change) linmin: converged after 5 iterations. iteration 4: trace = 2.771603071908644 (0.0039227% change) linmin: converged after 5 iterations. iteration 5: trace = 2.77157333986107 (0.00107274% change) linmin: converged after 4 iterations. iteration 6: trace = 2.771567875220617 (0.000197168% change) linmin: converged after 4 iterations. iteration 7: trace = 2.771565848864933 (7.31123e-05% change) linmin: converged after 23 iterations. iteration 8: trace = 2.771565436133743 (1.48916e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.771565393911649 (1.5234e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.771565390637125 (1.18147e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 2.771565390406327 (8.32735e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.771565390385135 (7.6462e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 2.771565390382112 (1.09069e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 2.771565390381668 (1.6007e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 elapsed time for k point: 0.07437300682067871 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.76986289767915 (0.914068% change) linmin: converged after 4 iterations. iteration 2: trace = 2.7662366764232 (0.131003% change) linmin: converged after 4 iterations. iteration 3: trace = 2.764990799331567 (0.0450488% change) linmin: converged after 4 iterations. iteration 4: trace = 2.764690915212057 (0.0108463% change) linmin: converged after 5 iterations. iteration 5: trace = 2.764623520243719 (0.00243773% change) linmin: converged after 5 iterations. iteration 6: trace = 2.764618233702739 (0.000191221% change) linmin: converged after 3 iterations. iteration 7: trace = 2.764617446459626 (2.84757e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 2.764617148488824 (1.0778e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 2.764617097736615 (1.83578e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.764617094306763 (1.24062e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.764617094122716 (6.65725e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.764617094109743 (4.69258e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76461709410778 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 elapsed time for k point: 0.058098793029785156 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.776059205793774 (0.931493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.769429886165129 (0.239089% change) linmin: converged after 5 iterations. iteration 3: trace = 2.766409470118905 (0.109122% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76565530954431 (0.0272651% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765522422981642 (0.004805% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765515118332745 (0.000264133% change) linmin: converged after 10 iterations. iteration 7: trace = 2.765514720941248 (1.43695e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765514678058566 (1.55062e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 2.765514659876092 (6.57472e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765514655313923 (1.64966e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765514654640203 (2.43615e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765514654454889 (6.7009e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.76551465439036 (2.33334e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.765514654376136 (5.14325e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 2.765514654374652 (5.36501e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 elapsed time for k point: 0.08615398406982422 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.767583432193024 (0.36764% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766063309127015 (0.0549411% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76572899258955 (0.0120871% change) linmin: converged after 4 iterations. iteration 4: trace = 2.765669394833952 (0.00215489% change) linmin: converged after 6 iterations. iteration 5: trace = 2.765658289765336 (0.000401534% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765656674101838 (5.84188e-05% change) linmin: converged after 6 iterations. iteration 7: trace = 2.765656191162027 (1.7462e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.765656108679672 (2.98238e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765656098612789 (3.63996e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765656097543772 (3.86533e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765656097432821 (4.01172e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765656097370315 (2.26008e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76565609734533 (9.03415e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 2.765656097342629 (9.76443e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 elapsed time for k point: 0.07349061965942383 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.76828002496966 (0.361641% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766861173313224 (0.051267% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76653878249722 (0.0116525% change) linmin: converged after 5 iterations. iteration 4: trace = 2.766463876994901 (0.00270759% change) linmin: converged after 4 iterations. iteration 5: trace = 2.766444675349486 (0.000694089% change) linmin: converged after 5 iterations. iteration 6: trace = 2.766441155889404 (0.00012722% change) linmin: converged after 5 iterations. iteration 7: trace = 2.766440488279491 (2.41324e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 2.766440405119586 (3.00603e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766440395785974 (3.37387e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766440394337008 (5.23766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766440393560162 (2.80811e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.76644039313326 (1.54315e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766440393061447 (2.59585e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.76644039305401 (2.68819e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.766440393053365 (2.33086e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 elapsed time for k point: 0.07688713073730469 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.770564095893328 (0.348247% change) linmin: converged after 4 iterations. iteration 2: trace = 2.76931008042447 (0.0452723% change) linmin: converged after 5 iterations. iteration 3: trace = 2.769019050829584 (0.0105097% change) linmin: converged after 9 iterations. iteration 4: trace = 2.768934648753342 (0.00304813% change) linmin: converged after 5 iterations. iteration 5: trace = 2.768909972394437 (0.00089119% change) linmin: converged after 6 iterations. iteration 6: trace = 2.76890656309236 (0.000123128% change) linmin: converged after 5 iterations. iteration 7: trace = 2.768906106159755 (1.65023e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.76890604289365 (2.28488e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.76890602455087 (6.62456e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.768906007868233 (6.02499e-07% change) linmin: converged after 9 iterations. iteration 11: trace = 2.768905997652202 (3.68955e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 2.768905996400177 (4.52173e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.768905996267474 (4.79261e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.768905996251331 (5.83013e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.768905996249788 (5.57336e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 elapsed time for k point: 0.08481597900390625 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.775951451394892 (0.330999% change) linmin: converged after 4 iterations. iteration 2: trace = 2.774883098720279 (0.0384934% change) linmin: converged after 5 iterations. iteration 3: trace = 2.774640612554751 (0.00873899% change) linmin: converged after 5 iterations. iteration 4: trace = 2.77456099507157 (0.00286951% change) linmin: converged after 5 iterations. iteration 5: trace = 2.774534593258473 (0.000951572% change) linmin: converged after 5 iterations. iteration 6: trace = 2.774531225311689 (0.000121388% change) linmin: converged after 5 iterations. iteration 7: trace = 2.77453070076803 (1.89057e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.7745303594983 (1.23001e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 2.774529863123143 (1.78904e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.774529580681455 (1.01798e-05% change) linmin: converged after 17 iterations. iteration 11: trace = 2.774529533963527 (1.68381e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 2.774529531015568 (1.06251e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 2.774529530846425 (6.09627e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.774529530829859 (5.97101e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.774529530826867 (1.07816e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 2.774529530826193 (2.4313e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 elapsed time for k point: 0.06589174270629883 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.786010010558214 (0.314216% change) linmin: converged after 4 iterations. iteration 2: trace = 2.785094864088619 (0.0328533% change) linmin: converged after 4 iterations. iteration 3: trace = 2.784890622949262 (0.00733363% change) linmin: converged after 5 iterations. iteration 4: trace = 2.784815529272439 (0.0026965% change) linmin: converged after 5 iterations. iteration 5: trace = 2.784783018960979 (0.00116742% change) linmin: converged after 6 iterations. iteration 6: trace = 2.784775033132307 (0.000286767% change) linmin: converged after 5 iterations. iteration 7: trace = 2.784767387040601 (0.000274568% change) large trace change predicted (0.00145949%) linmin: converged after 4 iterations. iteration 8: trace = 2.784726863705416 (0.00145519% change) large trace change predicted (0.00560839%) linmin: converged after 6 iterations. iteration 9: trace = 2.784576806706098 (0.00538872% change) linmin: converged after 5 iterations. iteration 10: trace = 2.784434566582967 (0.00510827% change) linmin: converged after 3 iterations. iteration 11: trace = 2.784406387945227 (0.00101201% change) linmin: converged after 3 iterations. iteration 12: trace = 2.784404398152179 (7.1462e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 2.784404189729956 (7.48534e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 2.78440415106141 (1.38875e-06% change) linmin: converged after 25 iterations. iteration 15: trace = 2.784404143391648 (2.75454e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 2.784404142114112 (4.58818e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 2.784404141807702 (1.10045e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.784404141512631 (1.05973e-08% change) large trace change predicted (3.91071e-08%) linmin: converged after 13 iterations. iteration 19: trace = 2.784404140423732 (3.91071e-08% change) linmin: converged after 19 iterations. iteration 20: trace = 2.784404138303259 (7.61553e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 2.78440413567283 (9.44701e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 2.784404132526765 (1.12989e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 2.784404131138651 (4.98532e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 2.784404130765973 (1.33845e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 2.784404130704082 (2.22279e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 2.784404130699125 (1.78041e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 2.784404130698568 (1.99843e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 elapsed time for k point: 0.12062215805053711 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.77275399721332 (1.31493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.767398262717903 (0.193343% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766394048706148 (0.0362939% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76629435931601 (0.00360365% change) linmin: converged after 5 iterations. iteration 5: trace = 2.766278312431585 (0.000580088% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76627605571663 (8.15795e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 2.766275726375514 (1.19056e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.766275697025943 (1.06098e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766275694526924 (9.03387e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 2.76627569428374 (8.79103e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766275694243459 (1.45613e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.766275694206311 (1.34287e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766275694188479 (6.4462e-10% change) linmin: converged after 6 iterations. iteration 14: trace = 2.766275694185662 (1.01845e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.766275694185344 (1.14944e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 elapsed time for k point: 0.07717156410217285 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.77149286581312 (1.30013% change) linmin: converged after 5 iterations. iteration 2: trace = 2.766681096222237 (0.173767% change) linmin: converged after 4 iterations. iteration 3: trace = 2.765870731016941 (0.0292944% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76578435790659 (0.00312287% change) linmin: converged after 4 iterations. iteration 5: trace = 2.76576896412909 (0.000556581% change) linmin: converged after 6 iterations. iteration 6: trace = 2.76576691356746 (7.41408e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765766616476074 (1.07417e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765766581509603 (1.26426e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 2.765766575906306 (2.02595e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765766575033984 (3.154e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765766574972649 (2.21763e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.765766574968937 (1.34217e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76576657496863 (1.10951e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 elapsed time for k point: 0.0625147819519043 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.791470836862398 (1.28311% change) linmin: converged after 5 iterations. iteration 2: trace = 2.787458714099723 (0.143831% change) linmin: converged after 4 iterations. iteration 3: trace = 2.78692603308995 (0.0191117% change) linmin: converged after 4 iterations. iteration 4: trace = 2.786856117715398 (0.00250872% change) linmin: converged after 5 iterations. iteration 5: trace = 2.786833391429703 (0.000815484% change) linmin: converged after 5 iterations. iteration 6: trace = 2.786827001476857 (0.000229291% change) linmin: converged after 6 iterations. iteration 7: trace = 2.786825618414127 (4.96286e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.786825460368142 (5.67118e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.786825447118284 (4.75446e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.786825446092698 (3.68012e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.786825446011258 (2.92231e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 2.786825446005849 (1.94108e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 2.786825446005419 (1.54254e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 elapsed time for k point: 0.06259608268737793 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.834933245505366 (1.30701% change) linmin: converged after 3 iterations. iteration 2: trace = 2.830403965065332 (0.159894% change) linmin: converged after 4 iterations. iteration 3: trace = 2.829621813628175 (0.0276377% change) linmin: converged after 4 iterations. iteration 4: trace = 2.829419384307018 (0.00715419% change) linmin: converged after 5 iterations. iteration 5: trace = 2.829342538493453 (0.00271599% change) linmin: converged after 5 iterations. iteration 6: trace = 2.82930572621851 (0.0013011% change) linmin: converged after 6 iterations. iteration 7: trace = 2.829276325559083 (0.00103915% change) linmin: converged after 5 iterations. iteration 8: trace = 2.829270956342432 (0.000189774% change) linmin: converged after 4 iterations. iteration 9: trace = 2.829270335813132 (2.19325e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 2.829270284334401 (1.81951e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 2.829270280435277 (1.37814e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 2.829270280036006 (1.41121e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.829270279947548 (3.12655e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.829270279913449 (1.20522e-09% change) linmin: converged after 11 iterations. iteration 15: trace = 2.82927027989919 (5.03975e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 2.829270279889812 (3.31473e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 2.829270279885793 (1.42035e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 2.829270279885341 (1.59631e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 elapsed time for k point: 0.06444191932678223 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.886141685835956 (1.47203% change) linmin: converged after 5 iterations. iteration 2: trace = 2.874303792321654 (0.411006% change) linmin: converged after 12 iterations. iteration 3: trace = 2.867461048283285 (0.23835% change) linmin: converged after 4 iterations. iteration 4: trace = 2.86397233934153 (0.121739% change) linmin: converged after 4 iterations. iteration 5: trace = 2.863259526579745 (0.0248921% change) linmin: converged after 3 iterations. iteration 6: trace = 2.863087260462697 (0.00601661% change) linmin: converged after 4 iterations. iteration 7: trace = 2.862987569164019 (0.00348201% change) large trace change predicted (0.0075076%) linmin: converged after 5 iterations. iteration 8: trace = 2.862770998312602 (0.00756479% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862591893269431 (0.00625655% change) linmin: converged after 4 iterations. iteration 10: trace = 2.862540772328795 (0.00178584% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862503519861274 (0.00130139% change) linmin: converged after 10 iterations. iteration 12: trace = 2.862492614384059 (0.000380978% change) linmin: converged after 4 iterations. iteration 13: trace = 2.862491127238346 (5.19528e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 2.862490902676318 (7.84499e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 2.862490848354844 (1.8977e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862490815153666 (1.15987e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 2.862490774134773 (1.43298e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 2.862490747516468 (9.299e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 2.862490726725277 (7.26332e-07% change) linmin: converged after 28 iterations. iteration 20: trace = 2.862490701040741 (8.97279e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 2.862490690405778 (3.71528e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.862490688920428 (5.18901e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 2.86249068872468 (6.83836e-09% change) linmin: converged after 19 iterations. iteration 24: trace = 2.862490688677492 (1.64851e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 2.862490688650855 (9.30535e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 2.86249068864038 (3.65962e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 2.862490688636751 (1.2675e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 2.862490688630886 (2.0491e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 2.862490688622828 (2.81503e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 2.862490688619476 (1.171e-10% change) linmin: converged after 8 iterations. iteration 31: trace = 2.86249068861861 (3.02369e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 .elapsed time for k point: 0.09216809272766113 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378438 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046674 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448603 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980675 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4933684778826866 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268195 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.5810352468043717 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801372995 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.6825317446714997 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213788 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.6920145742134777 at Vector3<0.0, 0.0, 0.0> to 0.7841042622393077 at Vector3<0.0, 0.4, 0.0> Band 8 range: 0.7980077872594105 at Vector3<0.0, 0.4, 0.0> to 0.8982239424823445 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2800915681739989) to band 2 (0.2801552391378438), 0.022729612382946834% Gap from band 2 (0.3985126081046674) to band 3 (0.4390817228448603), 9.687055712089714% Gap from band 3 (0.49288810189980675) to band 4 (0.4933684778826866), 0.09741399808674674% Gap from band 4 (0.5808701365268195) to band 5 (0.5810352468043717), 0.028420606345552754% Gap from band 5 (0.6824860801372995) to band 6 (0.6825317446714997), 0.006690686871665024% Gap from band 7 (0.7841042622393077) to band 8 (0.7980077872594105), 1.7575904341930733% total elapsed time for run: 1.3842103481292725 done /tmp/meepuUBjUW/test_tri_holes-0: 6.66s /tmp/meepuUBjUW/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014963150024414062 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.06946158409118652 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.062337398529052734 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.05045485496520996 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.047354936599731445 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.04426765441894531 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.04390740394592285 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.04480910301208496 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.08193397521972656 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.04818439483642578 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.05252504348754883 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.03521561622619629 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657 Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168 Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881 Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b08.z.tm.h5... solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957312 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510743 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525583 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380287 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309859 (1.7049e-10% change) linmin: converged after 3 iterations. iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.05981731414794922 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338974 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011073 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283281438838011 (0.00210466% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 7 iterations. iteration 6: trace = 4.28326657937046 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834247 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102651 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093189 (2.35676e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283266489000646 (2.16059e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.283266488991158 (2.21502e-10% change) linmin: converged after 11 iterations. iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.058383941650390625 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060165 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164763 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 13 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016636 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309537 (3.71634e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65554e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.410102274561973 (5.74616e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546353 (3.54196e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.0737299919128418 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101673 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258617 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323376 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553309 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244495 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738526 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347481 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618732 (7.91744e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781556 (2.7502e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.53451762276076 (4.58611e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.06363224983215332 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082276254 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477331197 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234815 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379737 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189929 (0.00557828% change) linmin: converged after 16 iterations. iteration 6: trace = 4.577915173102078 (0.000900408% change) linmin: converged after 8 iterations. iteration 7: trace = 4.577900193794617 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955983 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564553 (2.15468e-05% change) linmin: converged after 10 iterations. iteration 10: trace = 4.577894647524367 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981888 (3.39512e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.577894627560067 (9.65907e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684431 (1.91275e-08% change) linmin: converged after 7 iterations. iteration 14: trace = 4.577894626586341 (2.1427e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573657 (2.77072e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.05556082725524902 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 0.9103736877441406 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015163421630859375 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 17.36160904168523 (195.027% change) linmin: converged after 7 iterations. iteration 2: trace = 7.562476866233164 (78.6318% change) linmin: converged after 5 iterations. iteration 3: trace = 6.689988797283942 (12.2433% change) linmin: converged after 4 iterations. iteration 4: trace = 6.443872873233596 (3.74781% change) linmin: converged after 7 iterations. iteration 5: trace = 6.353949184309336 (1.4053% change) linmin: converged after 4 iterations. iteration 6: trace = 6.308924004687213 (0.711137% change) linmin: converged after 5 iterations. iteration 7: trace = 6.270403953073519 (0.612434% change) linmin: converged after 4 iterations. iteration 8: trace = 6.245962911349093 (0.390545% change) linmin: converged after 4 iterations. iteration 9: trace = 6.231123952690525 (0.237859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.222648387566821 (0.136112% change) linmin: converged after 4 iterations. iteration 11: trace = 6.218459085006945 (0.0673461% change) linmin: converged after 4 iterations. iteration 12: trace = 6.215474845128731 (0.0480015% change) linmin: converged after 4 iterations. iteration 13: trace = 6.213476033896002 (0.0321638% change) linmin: converged after 4 iterations. iteration 14: trace = 6.211799733839418 (0.0269821% change) linmin: converged after 4 iterations. iteration 15: trace = 6.210166322657484 (0.0262988% change) linmin: converged after 4 iterations. iteration 16: trace = 6.208765013189226 (0.0225673% change) linmin: converged after 3 iterations. iteration 17: trace = 6.20745864212499 (0.021043% change) linmin: converged after 3 iterations. iteration 18: trace = 6.206496965898328 (0.0154935% change) linmin: converged after 4 iterations. iteration 19: trace = 6.205910205793511 (0.00945441% change) linmin: converged after 4 iterations. iteration 20: trace = 6.205612235735023 (0.00480151% change) linmin: converged after 4 iterations. iteration 21: trace = 6.205499078041604 (0.00182349% change) linmin: converged after 4 iterations. iteration 22: trace = 6.205434445474109 (0.00104154% change) linmin: converged after 4 iterations. iteration 23: trace = 6.205390974318142 (0.000700536% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205367423163241 (0.000379528% change) linmin: converged after 4 iterations. iteration 25: trace = 6.205356899945473 (0.000169583% change) linmin: converged after 4 iterations. iteration 26: trace = 6.205352210725811 (7.55673e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.205348781520899 (5.52621e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 6.205345652519164 (5.04243e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.205343137714785 (4.05264e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 6.205341359594259 (2.86547e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.205340285757588 (1.7305e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.20533940186276 (1.42441e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 6.205338538782249 (1.39087e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.205338005701472 (8.59068e-06% change) linmin: converged after 12 iterations. iteration 35: trace = 6.205337792804401 (3.43087e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 6.205337727926739 (1.04551e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.205337700663021 (4.39359e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 6.205337682075854 (2.99535e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 6.205337670235149 (1.90815e-07% change) linmin: converged after 16 iterations. iteration 40: trace = 6.205337663603182 (1.06875e-07% change) linmin: converged after 17 iterations. iteration 41: trace = 6.205337659444976 (6.70102e-08% change) linmin: converged after 2 iterations. iteration 42: trace = 6.205337656270723 (5.11536e-08% change) linmin: converged after 3 iterations. iteration 43: trace = 6.205337653590539 (4.31916e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 6.205337651674612 (3.08755e-08% change) linmin: converged after 11 iterations. iteration 45: trace = 6.205337650112214 (2.51783e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 6.205337648922311 (1.91755e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 6.205337648157427 (1.23262e-08% change) linmin: converged after 11 iterations. iteration 48: trace = 6.205337647646608 (8.23193e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 6.205337647357136 (4.66488e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 6.205337647220228 (2.2063e-09% change) linmin: converged after 7 iterations. iteration 51: trace = 6.205337647170962 (7.93921e-10% change) linmin: converged after 5 iterations. iteration 52: trace = 6.205337647152469 (2.98014e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 6.205337647143446 (1.45421e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 6.205337647136502 (1.119e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 6.20533764713018 (1.01881e-10% change) linmin: converged after 2 iterations. iteration 56: trace = 6.205337647125866 (6.95189e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.1624436378479004 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.158539024420285 (1.66275% change) linmin: converged after 4 iterations. iteration 2: trace = 6.098032659807416 (0.987329% change) linmin: converged after 4 iterations. iteration 3: trace = 6.081903131798306 (0.264854% change) linmin: converged after 4 iterations. iteration 4: trace = 6.0743767056313 (0.123828% change) linmin: converged after 4 iterations. iteration 5: trace = 6.072216470542617 (0.0355694% change) linmin: converged after 3 iterations. iteration 6: trace = 6.071224930874287 (0.0163305% change) linmin: converged after 4 iterations. iteration 7: trace = 6.070791668858648 (0.00713657% change) linmin: converged after 4 iterations. iteration 8: trace = 6.070592820913727 (0.00327554% change) linmin: converged after 3 iterations. iteration 9: trace = 6.070504835682327 (0.00144938% change) linmin: converged after 3 iterations. iteration 10: trace = 6.070476174703718 (0.000472136% change) linmin: converged after 4 iterations. iteration 11: trace = 6.070466776951306 (0.000154811% change) linmin: converged after 4 iterations. iteration 12: trace = 6.070462362656812 (7.27176e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.070460758493462 (2.64257e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 6.070460318551028 (7.24727e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 6.070460193420171 (2.06131e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 6.070460137715083 (9.17642e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 6.070460108900737 (4.74665e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.070460095276794 (2.2443e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 6.070460086895674 (1.38064e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 6.070460079863565 (1.15841e-07% change) linmin: converged after 21 iterations. iteration 21: trace = 6.070460075401996 (7.34964e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.07046007280923 (4.27112e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 6.070460071630645 (1.94151e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.070460071141092 (8.06452e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.070460070886771 (4.18948e-09% change) linmin: converged after 17 iterations. iteration 26: trace = 6.070460070770777 (1.9108e-09% change) linmin: converged after 19 iterations. iteration 27: trace = 6.070460070719212 (8.49426e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 6.070460070698457 (3.41915e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.070460070686249 (2.01105e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 6.070460070677964 (1.36479e-10% change) linmin: converged after 7 iterations. iteration 31: trace = 6.070460070673303 (7.67843e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 elapsed time for k point: 0.12311744689941406 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.879585450105075 (0.610248% change) linmin: converged after 4 iterations. iteration 2: trace = 5.864179164990823 (0.262374% change) linmin: converged after 3 iterations. iteration 3: trace = 5.859434248091473 (0.0809463% change) linmin: converged after 4 iterations. iteration 4: trace = 5.85734339458572 (0.0356899% change) linmin: converged after 3 iterations. iteration 5: trace = 5.856604562107861 (0.0126146% change) linmin: converged after 3 iterations. iteration 6: trace = 5.856366774447974 (0.00406024% change) linmin: converged after 3 iterations. iteration 7: trace = 5.856287811142867 (0.00134834% change) linmin: converged after 4 iterations. iteration 8: trace = 5.8562580469796 (0.000508244% change) linmin: converged after 3 iterations. iteration 9: trace = 5.856247804313772 (0.000174901% change) linmin: converged after 4 iterations. iteration 10: trace = 5.85624293285553 (8.3184e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.856240727525849 (3.76578e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.856239109988362 (2.76208e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.856238145767128 (1.64649e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 5.856237866910514 (4.7617e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.856237777124198 (1.53317e-06% change) linmin: converged after 9 iterations. iteration 16: trace = 5.856237751868005 (4.3127e-07% change) linmin: converged after 14 iterations. iteration 17: trace = 5.856237743987796 (1.34561e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.856237740787504 (5.46476e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.856237739089932 (2.89874e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.856237737682887 (2.40264e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.856237736546375 (1.94069e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.856237735790081 (1.29143e-08% change) linmin: converged after 12 iterations. iteration 23: trace = 5.856237735217746 (9.77308e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.856237734948408 (4.59917e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.85623773479514 (2.61718e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.856237734734318 (1.03858e-09% change) linmin: converged after 7 iterations. iteration 27: trace = 5.8562377347143 (3.4182e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.856237734707856 (1.10047e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.856237734706174 (2.87099e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 elapsed time for k point: 0.13172197341918945 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.688335296912762 (0.327793% change) linmin: converged after 4 iterations. iteration 2: trace = 5.682021917679271 (0.11105% change) linmin: converged after 3 iterations. iteration 3: trace = 5.680153605103612 (0.0328865% change) linmin: converged after 4 iterations. iteration 4: trace = 5.679577245559956 (0.0101474% change) linmin: converged after 4 iterations. iteration 5: trace = 5.679381210031131 (0.00345165% change) linmin: converged after 4 iterations. iteration 6: trace = 5.679338397146944 (0.000753833% change) linmin: converged after 3 iterations. iteration 7: trace = 5.679327009082156 (0.000200518% change) linmin: converged after 5 iterations. iteration 8: trace = 5.679321501429015 (9.69773e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.679318695796002 (4.94009e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.679317068872693 (2.86465e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.679316526996136 (9.54123e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.67931632497745 (3.5571e-06% change) linmin: converged after 24 iterations. iteration 13: trace = 5.679316252366132 (1.27852e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.679316236097754 (2.8645e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.679316231672791 (7.79137e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.679316229977098 (2.98574e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.679316229108179 (1.52997e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.679316228341648 (1.34969e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.679316227585913 (1.33068e-08% change) linmin: converged after 11 iterations. iteration 20: trace = 5.679316226988038 (1.05272e-08% change) linmin: converged after 12 iterations. iteration 21: trace = 5.679316226705491 (4.97502e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.679316226637818 (1.19157e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.679316226609474 (4.99066e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.679316226600841 (1.52009e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.679316226598069 (4.88088e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 elapsed time for k point: 0.08404660224914551 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.572181213523258 (0.241977% change) linmin: converged after 4 iterations. iteration 2: trace = 5.568600925705777 (0.0642735% change) linmin: converged after 4 iterations. iteration 3: trace = 5.567657736853494 (0.0169391% change) linmin: converged after 4 iterations. iteration 4: trace = 5.567444170135015 (0.00383592% change) linmin: converged after 6 iterations. iteration 5: trace = 5.56737762049015 (0.00119534% change) linmin: converged after 3 iterations. iteration 6: trace = 5.567363512847024 (0.000253399% change) linmin: converged after 3 iterations. iteration 7: trace = 5.567360010913097 (6.29011e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.567358378549423 (2.93203e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567357563479846 (1.46402e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567357125846613 (7.8607e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567356991067824 (2.42088e-06% change) linmin: converged after 10 iterations. iteration 12: trace = 5.56735695750588 (6.02834e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567356948843483 (1.55593e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.56735694679832 (3.67349e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.567356946093132 (1.26665e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.567356945636325 (8.2051e-09% change) linmin: converged after 23 iterations. iteration 17: trace = 5.567356945304206 (5.96547e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.567356944950225 (6.35815e-09% change) linmin: converged after 13 iterations. iteration 19: trace = 5.567356944690506 (4.66504e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.567356944584955 (1.89588e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.567356944550361 (6.21382e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567356944542208 (1.46436e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.567356944539206 (5.39222e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 elapsed time for k point: 0.0792229175567627 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.53273810674195 (0.208662% change) linmin: converged after 4 iterations. iteration 2: trace = 5.530094842108783 (0.0477864% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529443009715253 (0.0117877% change) linmin: converged after 4 iterations. iteration 4: trace = 5.529317903820751 (0.00226257% change) linmin: converged after 5 iterations. iteration 5: trace = 5.529282320152151 (0.000643547% change) linmin: converged after 3 iterations. iteration 6: trace = 5.529274170469025 (0.000147391% change) linmin: converged after 4 iterations. iteration 7: trace = 5.529272236624154 (3.49747e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.529271606108956 (1.14032e-05% change) linmin: converged after 26 iterations. iteration 9: trace = 5.529271436020496 (3.07615e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 5.529271373878374 (1.12388e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.529271337491399 (6.58079e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.529271320740965 (3.02941e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.529271315549563 (9.38894e-08% change) linmin: converged after 6 iterations. iteration 14: trace = 5.529271314495562 (1.90622e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.529271314233555 (4.73853e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.529271314081587 (2.74843e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.529271313980214 (1.83339e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.529271313876957 (1.86746e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.52927131377775 (1.79421e-09% change) linmin: converged after 13 iterations. iteration 20: trace = 5.529271313733426 (8.01618e-10% change) linmin: converged after 11 iterations. iteration 21: trace = 5.529271313721342 (2.18556e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.529271313719439 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 elapsed time for k point: 0.07693862915039062 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.538985517448269 (0.141109% change) linmin: converged after 4 iterations. iteration 2: trace = 5.534550185471011 (0.0801069% change) linmin: converged after 4 iterations. iteration 3: trace = 5.53328893111629 (0.0227913% change) linmin: converged after 4 iterations. iteration 4: trace = 5.532631711818752 (0.0118783% change) linmin: converged after 4 iterations. iteration 5: trace = 5.532342815996529 (0.00522181% change) linmin: converged after 5 iterations. iteration 6: trace = 5.53223657988561 (0.00192029% change) linmin: converged after 10 iterations. iteration 7: trace = 5.532184612246406 (0.000939365% change) linmin: converged after 5 iterations. iteration 8: trace = 5.532165289409572 (0.000349281% change) linmin: converged after 6 iterations. iteration 9: trace = 5.53215699790288 (0.000149878% change) linmin: converged after 5 iterations. iteration 10: trace = 5.532154378963375 (4.73403e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.532153853741139 (9.49399e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.532153673436557 (3.25921e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.53215362460911 (8.82612e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.532153611036561 (2.45339e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.532153607469195 (6.44842e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.532153606672814 (1.43955e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.53215360642539 (4.47248e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.532153606309885 (2.08788e-09% change) linmin: converged after 7 iterations. iteration 19: trace = 5.532153606238235 (1.29516e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.532153606171856 (1.19987e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 5.532153606115745 (1.01426e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.532153606087498 (5.10608e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.532153606073365 (2.55465e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.53215360606891 (8.05311e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 elapsed time for k point: 0.08248448371887207 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.545510165467671 (0.156486% change) linmin: converged after 3 iterations. iteration 2: trace = 5.53970135058995 (0.104803% change) linmin: converged after 4 iterations. iteration 3: trace = 5.537423366333638 (0.0411295% change) linmin: converged after 4 iterations. iteration 4: trace = 5.535869635928369 (0.0280627% change) linmin: converged after 4 iterations. iteration 5: trace = 5.535105335921414 (0.0138073% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53483989949765 (0.00479562% change) linmin: converged after 4 iterations. iteration 7: trace = 5.534735453565166 (0.00188708% change) linmin: converged after 4 iterations. iteration 8: trace = 5.534709296156107 (0.000472606% change) linmin: converged after 4 iterations. iteration 9: trace = 5.534699673866182 (0.000173854% change) linmin: converged after 8 iterations. iteration 10: trace = 5.534696883149076 (5.04222e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.534696297656427 (1.05786e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.534696086069314 (3.82292e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.534696023141974 (1.13696e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.534696003432254 (3.56112e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.534695997023212 (1.15798e-07% change) linmin: converged after 12 iterations. iteration 16: trace = 5.534695995144546 (3.39434e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.534695994510907 (1.14485e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.534695994207872 (5.47519e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.534695994030399 (3.20656e-09% change) linmin: converged after 12 iterations. iteration 20: trace = 5.534695993871264 (2.87522e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.534695993784569 (1.56638e-09% change) linmin: converged after 7 iterations. iteration 22: trace = 5.534695993753224 (5.66347e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.534695993742776 (1.88766e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.534695993739176 (6.50404e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 elapsed time for k point: 0.0819234848022461 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.539951339880242 (0.178088% change) linmin: converged after 4 iterations. iteration 2: trace = 5.532912895847705 (0.12713% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529976673731458 (0.0530824% change) linmin: converged after 4 iterations. iteration 4: trace = 5.528255687466732 (0.0311259% change) linmin: converged after 4 iterations. iteration 5: trace = 5.527477327141118 (0.0140807% change) linmin: converged after 3 iterations. iteration 6: trace = 5.527260627433148 (0.00392049% change) linmin: converged after 4 iterations. iteration 7: trace = 5.527174950010757 (0.0015501% change) linmin: converged after 4 iterations. iteration 8: trace = 5.527154244268933 (0.000374618% change) linmin: converged after 4 iterations. iteration 9: trace = 5.527144578125395 (0.000174885% change) linmin: converged after 2 iterations. iteration 10: trace = 5.527141353729434 (5.83375e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.527140472049874 (1.59518e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.527140149104516 (5.8429e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.527140063332194 (1.55184e-06% change) linmin: converged after 16 iterations. iteration 14: trace = 5.527140039497723 (4.31226e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.527140030767502 (1.57952e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.527140027391178 (6.10863e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.527140025708313 (3.04473e-08% change) linmin: converged after 14 iterations. iteration 18: trace = 5.527140024739849 (1.7522e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 5.52714002424971 (8.86785e-09% change) linmin: converged after 15 iterations. iteration 20: trace = 5.527140024034408 (3.89537e-09% change) linmin: converged after 16 iterations. iteration 21: trace = 5.527140023982145 (9.45556e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.527140023969887 (2.2179e-10% change) linmin: converged after 15 iterations. iteration 23: trace = 5.527140023966947 (5.31897e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 elapsed time for k point: 0.0780019760131836 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.522657858711453 (0.154096% change) linmin: converged after 4 iterations. iteration 2: trace = 5.51765344023986 (0.0906572% change) linmin: converged after 4 iterations. iteration 3: trace = 5.515894145978647 (0.0318899% change) linmin: converged after 4 iterations. iteration 4: trace = 5.515136110127697 (0.0137437% change) linmin: converged after 5 iterations. iteration 5: trace = 5.514757022135095 (0.00687383% change) linmin: converged after 12 iterations. iteration 6: trace = 5.514652113037982 (0.00190235% change) linmin: converged after 4 iterations. iteration 7: trace = 5.514602232259413 (0.000904518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.514589888306563 (0.000223841% change) linmin: converged after 5 iterations. iteration 9: trace = 5.514584139299159 (0.000104251% change) linmin: converged after 5 iterations. iteration 10: trace = 5.514582298956496 (3.33723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.514581753925765 (9.88345e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.51458155129702 (3.67442e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.514581501626841 (9.00706e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.514581491384362 (1.85734e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.514581488005883 (6.12645e-08% change) linmin: converged after 37 iterations. iteration 16: trace = 5.514581486953495 (1.90837e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.514581486665204 (5.2278e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.514581486577281 (1.59437e-09% change) linmin: converged after 8 iterations. iteration 19: trace = 5.514581486551829 (4.6155e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.514581486536885 (2.70983e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.51458148652924 (1.3864e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.514581486526159 (5.58717e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 elapsed time for k point: 0.1079859733581543 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.513146354883722 (0.11801% change) linmin: converged after 3 iterations. iteration 2: trace = 5.510121677342044 (0.0548781% change) linmin: converged after 4 iterations. iteration 3: trace = 5.509211811143087 (0.016514% change) linmin: converged after 4 iterations. iteration 4: trace = 5.508907839981763 (0.00551766% change) linmin: converged after 3 iterations. iteration 5: trace = 5.508737669131319 (0.00308906% change) linmin: converged after 4 iterations. iteration 6: trace = 5.508683639257633 (0.000980808% change) linmin: converged after 4 iterations. iteration 7: trace = 5.50865412206727 (0.000535832% change) linmin: converged after 4 iterations. iteration 8: trace = 5.50864669288852 (0.000134864% change) linmin: converged after 6 iterations. iteration 9: trace = 5.508643590274295 (5.63226e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.508642644310975 (1.71723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.50864236513062 (5.06804e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.508642262323828 (1.86628e-06% change) linmin: converged after 8 iterations. iteration 13: trace = 5.50864223788113 (4.43715e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.508642233589994 (7.78982e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.508642232550772 (1.88653e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.508642232232834 (5.77163e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.5086422321571 (1.37482e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.508642232135503 (3.92056e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.508642232131606 (7.07332e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 elapsed time for k point: 0.12839937210083008 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.55058118313115 (0.389346% change) linmin: converged after 4 iterations. iteration 2: trace = 5.542766757881417 (0.140885% change) linmin: converged after 4 iterations. iteration 3: trace = 5.540530252342469 (0.0403581% change) linmin: converged after 4 iterations. iteration 4: trace = 5.539782553670534 (0.013496% change) linmin: converged after 4 iterations. iteration 5: trace = 5.539265295830601 (0.00933759% change) linmin: converged after 4 iterations. iteration 6: trace = 5.539067918395565 (0.00356331% change) linmin: converged after 4 iterations. iteration 7: trace = 5.538979756672791 (0.00159165% change) linmin: converged after 5 iterations. iteration 8: trace = 5.538958695418 (0.000380238% change) linmin: converged after 10 iterations. iteration 9: trace = 5.538951634380076 (0.00012748% change) linmin: converged after 5 iterations. iteration 10: trace = 5.538948975756819 (4.79987e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 5.538948192460806 (1.41416e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.538947835307317 (6.44804e-06% change) linmin: converged after 8 iterations. iteration 13: trace = 5.538947686577423 (2.68517e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.538947636561917 (9.02978e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.538947618030138 (3.34572e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538947613905355 (7.44687e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.538947613187684 (1.29568e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.538947612989022 (3.58665e-09% change) linmin: converged after 10 iterations. iteration 19: trace = 5.538947612948638 (7.29086e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538947612937269 (2.0525e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.538947612933673 (6.49263e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 elapsed time for k point: 0.17710018157958984 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.647301200611738 (0.329684% change) linmin: converged after 4 iterations. iteration 2: trace = 5.640927549608877 (0.112926% change) linmin: converged after 4 iterations. iteration 3: trace = 5.638790479454456 (0.0378923% change) linmin: converged after 4 iterations. iteration 4: trace = 5.637897868749102 (0.0158311% change) linmin: converged after 4 iterations. iteration 5: trace = 5.637265321496212 (0.0112202% change) linmin: converged after 4 iterations. iteration 6: trace = 5.637035875264222 (0.00407025% change) linmin: converged after 4 iterations. iteration 7: trace = 5.636936166368233 (0.00176883% change) linmin: converged after 3 iterations. iteration 8: trace = 5.636905106755414 (0.000551003% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636896042414138 (0.000160804% change) linmin: converged after 4 iterations. iteration 10: trace = 5.636893338294144 (4.79718e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.63689288185743 (8.09731e-06% change) linmin: converged after 20 iterations. iteration 12: trace = 5.636892759768465 (2.16589e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.636892722735103 (6.56982e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.636892712210973 (1.86701e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.636892708239743 (7.04507e-08% change) linmin: converged after 29 iterations. iteration 16: trace = 5.636892706830092 (2.50076e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 5.636892706179626 (1.15394e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 5.636892705778898 (7.10903e-09% change) linmin: converged after 18 iterations. iteration 19: trace = 5.636892705608984 (3.01432e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.636892705551562 (1.01869e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.636892705530972 (3.65268e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.636892705526574 (7.80263e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 elapsed time for k point: 0.15710735321044922 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.818503972293691 (0.323359% change) linmin: converged after 4 iterations. iteration 2: trace = 5.811864946631749 (0.114167% change) linmin: converged after 3 iterations. iteration 3: trace = 5.80959695559026 (0.0390311% change) linmin: converged after 4 iterations. iteration 4: trace = 5.808664036811325 (0.0160595% change) linmin: converged after 4 iterations. iteration 5: trace = 5.808059684314398 (0.0104049% change) linmin: converged after 4 iterations. iteration 6: trace = 5.807780352579808 (0.0048095% change) linmin: converged after 4 iterations. iteration 7: trace = 5.807591816899011 (0.00324631% change) linmin: converged after 4 iterations. iteration 8: trace = 5.807497036546474 (0.00163202% change) linmin: converged after 6 iterations. iteration 9: trace = 5.807463230771279 (0.000582107% change) linmin: converged after 4 iterations. iteration 10: trace = 5.807448604624893 (0.000251851% change) linmin: converged after 4 iterations. iteration 11: trace = 5.807443106317815 (9.46769e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.807439494876415 (6.21864e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.807437481552949 (3.4668e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.807436670284365 (1.39695e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.807436289960402 (6.54891e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.807436162892385 (2.18802e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.807436126334485 (6.29502e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.807436116187895 (1.74717e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.807436113287419 (4.99442e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.807436112416773 (1.49919e-08% change) linmin: converged after 8 iterations. iteration 21: trace = 5.807436112088626 (5.65047e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.807436111990084 (1.69682e-09% change) linmin: converged after 16 iterations. iteration 23: trace = 5.807436111928493 (1.06055e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.807436111892697 (6.16387e-10% change) linmin: converged after 10 iterations. iteration 25: trace = 5.807436111861503 (5.37134e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.807436111844972 (2.84648e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 5.807436111839939 (8.667e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 elapsed time for k point: 0.13059735298156738 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.058568816406366 (0.404469% change) linmin: converged after 4 iterations. iteration 2: trace = 6.047217423444727 (0.187537% change) linmin: converged after 4 iterations. iteration 3: trace = 6.0428693536347 (0.0719279% change) linmin: converged after 4 iterations. iteration 4: trace = 6.041115569071303 (0.0290266% change) linmin: converged after 3 iterations. iteration 5: trace = 6.040281476957603 (0.0138079% change) linmin: converged after 3 iterations. iteration 6: trace = 6.039949783541457 (0.00549151% change) linmin: converged after 3 iterations. iteration 7: trace = 6.039732337732385 (0.00360019% change) linmin: converged after 4 iterations. iteration 8: trace = 6.039536476498154 (0.00324293% change) linmin: converged after 5 iterations. iteration 9: trace = 6.039366429150508 (0.00281561% change) linmin: converged after 4 iterations. iteration 10: trace = 6.039238347543021 (0.0021208% change) linmin: converged after 3 iterations. iteration 11: trace = 6.039190527154679 (0.000791831% change) linmin: converged after 4 iterations. iteration 12: trace = 6.039166804291315 (0.000392816% change) linmin: converged after 4 iterations. iteration 13: trace = 6.039155082215229 (0.000194101% change) linmin: converged after 4 iterations. iteration 14: trace = 6.039151356031256 (6.17004e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.039149892355141 (2.42365e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 6.039149291361488 (9.95163e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 6.039148998716701 (4.84579e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.039148870832841 (2.11758e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 6.039148806998382 (1.05701e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 6.039148770819057 (5.9908e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.039148755038091 (2.61311e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.039148750226732 (7.96695e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.039148748437229 (2.96317e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.039148747735014 (1.16277e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 6.039148747103849 (1.04512e-08% change) linmin: converged after 13 iterations. iteration 26: trace = 6.039148746498664 (1.0021e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 6.039148745995293 (8.33513e-09% change) linmin: converged after 27 iterations. iteration 28: trace = 6.039148745700733 (4.87751e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 6.039148745569342 (2.17565e-09% change) linmin: converged after 9 iterations. iteration 30: trace = 6.039148745510182 (9.79605e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 6.039148745490022 (3.33834e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 6.039148745481262 (1.45055e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 6.03914874547851 (4.55623e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 elapsed time for k point: 0.26883959770202637 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. iteration 1: trace = 6.298730915271923 (0.895356% change) linmin: converged after 5 iterations. iteration 2: trace = 6.245437546859799 (0.849692% change) linmin: converged after 4 iterations. iteration 3: trace = 6.223334153898405 (0.35454% change) linmin: converged after 4 iterations. iteration 4: trace = 6.211975635419504 (0.182682% change) linmin: converged after 4 iterations. iteration 5: trace = 6.208144497511515 (0.0616924% change) linmin: converged after 3 iterations. iteration 6: trace = 6.206836175369097 (0.0210765% change) linmin: converged after 4 iterations. iteration 7: trace = 6.206168982919507 (0.0107499% change) linmin: converged after 4 iterations. iteration 8: trace = 6.205804637845149 (0.00587086% change) linmin: converged after 4 iterations. iteration 9: trace = 6.205532505964936 (0.00438521% change) linmin: converged after 4 iterations. iteration 10: trace = 6.205428325423106 (0.00167885% change) linmin: converged after 4 iterations. iteration 11: trace = 6.205403953115949 (0.000392759% change) linmin: converged after 4 iterations. iteration 12: trace = 6.205389695901296 (0.000229755% change) linmin: converged after 8 iterations. iteration 13: trace = 6.205378818817473 (0.000175285% change) linmin: converged after 4 iterations. iteration 14: trace = 6.205369022899885 (0.000157862% change) linmin: converged after 4 iterations. iteration 15: trace = 6.205362148408089 (0.000110783% change) linmin: converged after 5 iterations. iteration 16: trace = 6.205354260892521 (0.000127108% change) linmin: converged after 5 iterations. iteration 17: trace = 6.205347521566777 (0.000108605% change) linmin: converged after 5 iterations. iteration 18: trace = 6.205343387171193 (6.66264e-05% change) linmin: converged after 6 iterations. iteration 19: trace = 6.205340291032243 (4.98947e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 6.205338895537121 (2.24886e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 6.205338348830022 (8.81027e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 6.205338035122779 (5.05544e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 6.205337843118102 (3.09419e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 6.205337736263875 (1.72197e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 6.205337681834897 (8.77132e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.205337658438697 (3.77033e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.20533765017481 (1.33174e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 6.205337648379762 (2.89275e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 6.20533764781293 (9.1346e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.205337647526114 (4.62208e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.205337647305309 (3.5583e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 6.205337647187878 (1.89243e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.205337647139043 (7.86979e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 6.205337647127346 (1.8849e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 6.205337647122201 (8.2916e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.10714054107666016 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675777 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4730722390280759 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714032 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839753 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.7676614799039002 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191522 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.865194814441527 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594299 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8652307994936863 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.033423091041983 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.021367669109369 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575178 at Vector3<0.0, 0.0, 0.0> Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.1168107191255356 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714032) to band 3 (0.5631505198559037), 0.007916844195590661% Gap from band 4 (0.8214230044191522) to band 5 (0.865194814441527), 5.190483526605094% total elapsed time for run: 1.9797706604003906 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors Read Bloch wavevector (0, 0, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 ./tmp/meepuUBjUW/test_tri_rods-0: 2.90s /tmp/meepuUBjUW/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014820098876953125 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.07219076156616211 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.06438016891479492 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.05670285224914551 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.05390620231628418 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.047020673751831055 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.048957109451293945 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.04481816291809082 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.04480576515197754 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.03725838661193848 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.03775382041931152 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.03371620178222656 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861228 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957313 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510742 (0.000784095% change) linmin: converged after 4 iterations. iteration 5: trace = 4.197854429378012 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525582 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380288 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.197854050317017 (2.34222e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.197854050309857 (1.70554e-10% change) linmin: converged after 15 iterations. iteration 11: trace = 4.1978540503093 (1.3266e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.03794240951538086 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338976 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283281438838009 (0.00210466% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283266579370458 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834246 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102653 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093188 (2.35676e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000646 (2.16055e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.28326648899116 (2.21481e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.283266488990684 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.042270660400390625 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060166 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164766 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 6 iterations. iteration 5: trace = 4.410114427040233 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016632 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309542 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815384 (5.65556e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561977 (5.74606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.410102274546349 (3.54377e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.410102274545239 (2.51544e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.045470237731933594 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101822 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.54456039825868 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323391 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319922 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738525 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347479 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618735 (7.91743e-08% change) linmin: converged after 10 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781561 (2.75014e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.534517622760761 (4.5869e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.534517622757202 (7.84853e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.05890941619873047 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082274213 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330618 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234686 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379698 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189922 (0.00557828% change) linmin: converged after 6 iterations. iteration 6: trace = 4.577915173102074 (0.000900408% change) linmin: converged after 6 iterations. iteration 7: trace = 4.577900193795435 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955969 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564437 (2.15468e-05% change) linmin: converged after 9 iterations. iteration 10: trace = 4.577894647524328 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981878 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560065 (9.65905e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577894626684427 (1.91275e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.577894626586346 (2.14248e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573654 (2.77247e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894626572483 (2.55711e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 .. ====================================================================== FAIL: test_diamond (__main__.TestModeSolver.test_diamond) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 905, in test_diamond self.compare_h5_files(ref_path, res_path) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 236, in compare_h5_files compare_arrays(self, ref[k][()], res[k][()], tol=tol) File "/build/reproducible-path/meep-1.25.0/python/tests/utils.py", line 17, in compare_arrays test_instance.assertLess(diff, tol) AssertionError: 0.6768966296099591 not less than 0.001 ====================================================================== FAIL: test_epsilon_input_file (__main__.TestModeSolver.test_epsilon_input_file) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 1743, in test_epsilon_input_file self.check_gap_list(expected_gap_list, ms.gap_list) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 212, in check_gap_list self.check_freqs(expected_gap_list, result) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 209, in check_freqs self.assertAlmostEqual(r, e, places=3) AssertionError: 1.4651880980149015 != 1.469257717113039 within 3 places (0.004069619098137522 difference) ====================================================================== FAIL: test_hole_slab (__main__.TestModeSolver.test_hole_slab) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 934, in test_hole_slab self.compare_h5_files(ref_path, res_path) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 234, in compare_h5_files self.assertEqual(ref[k][()], res[k][()]) AssertionError: b'h field, kpoint 1, band 9, freq=0.592619' != b'h field, kpoint 1, band 9, freq=0.59253' ====================================================================== FAIL: test_output_efield_z (__main__.TestModeSolver.test_output_efield_z) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 570, in test_output_efield_z self.compare_h5_files(ref_path, res_path) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 236, in compare_h5_files compare_arrays(self, ref[k][()], res[k][()], tol=tol) File "/build/reproducible-path/meep-1.25.0/python/tests/utils.py", line 17, in compare_arrays test_instance.assertLess(diff, tol) AssertionError: 0.001622068955755336 not less than 0.001 ====================================================================== FAIL: test_strip (__main__.TestModeSolver.test_strip) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_mpb.py", line 1193, in test_strip self.assertAlmostEqual(e, r, places=3) AssertionError: -0.9945407488966614 != -0.9950905165813099 within 3 places (0.0005497676846484278 difference) ---------------------------------------------------------------------- Ran 47 tests in 520.819s FAILED (failures=5) elapsed time for k point: 0.046523332595825195 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797745 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585141 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797745) to band 4 (0.5932960873585141), 5.674064623695046% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 0.7752690315246582 done /tmp/meepuUBjUW/test_triangular_lattice-0: 0.78s /tmp/meepuUBjUW/test_update_band_range_data-0 ======================== /tmp/meepuUBjUW/test_update_band_range_data-0: 0.00s Elapsed run time = 520.8790 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_multilevel_atom ================================ Matplotlib created a temporary cache directory at /tmp/matplotlib-f2jik2et because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... time for choose_chunkdivision = 3.19481e-05 s Working in 1D dimensions. Computational cell is 0 x 0 x 3 with resolution 40 block, center = (0,0,-1) size (1e+20,1e+20,1) axes (1,0,0), (0,1,0), (0,0,1) dielectric constant epsilon diagonal = (2.25,2.25,2.25) time for set_epsilon = 6.29425e-05 s multilevel atom susceptibility ----------- Meep progress: 2003.275/7000.0 = 28.6% done in 4.0s, 10.0s to go on time step 160262 (time=2003.28), 2.49777e-05 s/step Meep progress: 3421.8/7000.0 = 48.9% done in 8.0s, 8.4s to go on time step 273747 (time=3421.84), 3.52471e-05 s/step Meep progress: 4783.225/7000.0 = 68.3% done in 12.0s, 5.6s to go on time step 382658 (time=4783.23), 3.67896e-05 s/step F ====================================================================== FAIL: test_multilevel_atom (__main__.TestMultiLevelAtom.test_multilevel_atom) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_multilevel_atom.py", line 77, in test_multilevel_atom sim.run(mp.at_end(check_field), until=7000) File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4452, in run self._run_until(until, step_funcs) File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 2643, in _run_until _eval_step_func(self, func, "finish") File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4918, in _eval_step_func func(sim, todo) File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4999, in _end _eval_step_func(sim, func, "step") File "/build/reproducible-path/meep-1.25.0/python/meep/simulation.py", line 4916, in _eval_step_func func(sim) File "/build/reproducible-path/meep-1.25.0/python/./tests/test_multilevel_atom.py", line 73, in check_field self.assertAlmostEqual(fp, -2.7110969214986387) AssertionError: -0.04452311652305546 != -2.7110969214986387 within 7 places (2.666573804975583 difference) ---------------------------------------------------------------------- Ran 1 test in 15.581s FAILED (failures=1) Elapsed run time = 15.5832 s FAIL tests/test_multilevel_atom.py (exit status: 1) FAIL: tests/test_refl_angular ============================= Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_refl_angular.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_refl_angular.py (exit status: 1) FAIL: tests/test_ring ===================== Matplotlib created a temporary cache directory at /tmp/matplotlib-ro4v5jse because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... Halving computational cell along direction y time for choose_chunkdivision = 0.000144958 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) radius 2, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (11.56,11.56,11.56) cylinder, center = (0,0,0) radius 1, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (1,1,1) time for set_epsilon = 0.061486 s ----------- Meep: using output directory '/tmp/meepxbUgxQ' creating output file "/tmp/meepxbUgxQ/test_ring-eps-000000.00.h5"... F ====================================================================== FAIL: test_harminv (__main__.TestRing.test_harminv) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_ring.py", line 62, in test_harminv self.assertAlmostEqual(m1.amp.real, -0.00304951667301, places=4) AssertionError: -0.0031020183525550154 != -0.00304951667301 within 4 places (5.250167954501525e-05 difference) ---------------------------------------------------------------------- Ran 1 test in 2.788s FAILED (failures=1) harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error harminv0:, 0.11809279297855063, -0.0007453553660444158, 79.21912040780389, 0.0034570184040227086, -0.0031020183525550154-0.0015259286962907485i, 6.147470413837138e-07+0.0i harminv0:, 0.1471719480975986, -0.00021479706222625954, 342.5837080177869, 0.028154264448286656, 0.018768129414637656+0.020986184143370865i, 3.799705979694711e-07+0.0i harminv0:, 0.17525083979308353, -4.9446086493087175e-05, 1772.1406507831973, 0.007182967821382197, -0.000788530544160479-0.00713955504943677i, 7.57711145955344e-07+0.0i run 0 finished at t = 400.0 (8000 timesteps) Elapsed run time = 2.7945 s FAIL tests/test_ring.py (exit status: 1) FAIL: tests/test_special_kz =========================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_special_kz.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_special_kz.py (exit status: 1) ## check whether testsuite runs everywhere #make check; \ #cat python/test-suite.log make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' create-stamp debian/debhelper-build-stamp dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/meep-1.25.0' dh_installchangelogs NEWS.md dh_auto_install make -j1 install DESTDIR=/build/reproducible-path/meep-1.25.0/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/reproducible-path/meep-1.25.0' Making install in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make install-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making install in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' make[6]: Nothing to be done for 'install-exec-am'. make[6]: Nothing to be done for 'install-data-am'. make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' /bin/sh ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.30.0.0 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.30.0.0 libmeep.so.30 || { rm -f libmeep.so.30 && ln -s libmeep.so.30.0.0 libmeep.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.30.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.30.0.0 libmeep.so; }; }) libtool: install: /usr/bin/install -c .libs/libmeep.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.la libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include' /usr/bin/install -c -m 644 meep.hpp '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 meep/mympi.hpp meep/vec.hpp meep/meep-config.h meepgeom.hpp material_data.hpp adjust_verbosity.hpp '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' Making install in tests make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' make[4]: Nothing to be done for 'install-exec-am'. make[4]: Nothing to be done for 'install-data-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' Making install in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' /bin/sh ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/share/meep' /usr/bin/install -c -m 644 meep.scm meep-enums.scm casimir.scm materials.scm '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/share/meep' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making install in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' /bin/sh ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: warning: relinking 'libpympb.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/libpympb; /bin/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.30.0.0 libpympb.so.30 || { rm -f libpympb.so.30 && ln -s libpympb.so.30.0.0 libpympb.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.30.0.0 libpympb.so || { rm -f libpympb.so && ln -s libpympb.so.30.0.0 libpympb.so; }; }) libtool: install: /usr/bin/install -c .libs/libpympb.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.la libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 pympb.hpp '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/include/meep' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/libpympb' Making install in python make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' /bin/sh ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' libtool: warning: relinking '_meep.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep && { ln -s -f _meep.so.30.0.0 _meep.so.30 || { rm -f _meep.so.30 && ln -s _meep.so.30.0.0 _meep.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep && { ln -s -f _meep.so.30.0.0 _meep.so || { rm -f _meep.so && ln -s _meep.so.30.0.0 _meep.so; }; }) libtool: install: /usr/bin/install -c .libs/_meep.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.la libtool: install: /usr/bin/install -c .libs/_meep.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.12/site-packages/meep' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/adjoint' /usr/bin/install -c -m 644 ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/wrapper.py ./adjoint/utils.py '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/adjoint' Byte-compiling python modules... __init__.pybasis.pyobjective.pyoptimization_problem.pyfilters.pyfilter_source.pyconnectivity.pywrapper.pyutils.py Byte-compiling python modules (optimized versions) ... __init__.pybasis.pyobjective.pyoptimization_problem.pyfilters.pyfilter_source.pyconnectivity.pywrapper.pyutils.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' /usr/bin/install -c -m 644 __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' Byte-compiling python modules... __init__.pybinary_partition_utils.pychunk_balancer.pygeom.pysimulation.pysource.pytiming_measurements.pyvisualization.pymaterials.pyverbosity_mgr.py Byte-compiling python modules (optimized versions) ... __init__.pybinary_partition_utils.pychunk_balancer.pygeom.pysimulation.pysource.pytiming_measurements.pyvisualization.pymaterials.pyverbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' /bin/sh ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.30 -o .libs/_mpb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb && { ln -s -f _mpb.so.30.0.0 _mpb.so.30 || { rm -f _mpb.so.30 && ln -s _mpb.so.30.0.0 _mpb.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb && { ln -s -f _mpb.so.30.0.0 _mpb.so || { rm -f _mpb.so && ln -s _mpb.so.30.0.0 _mpb.so; }; }) libtool: install: /usr/bin/install -c .libs/_mpb.lai /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.la libtool: install: /usr/bin/install -c .libs/_mpb.a /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.12/site-packages/meep/mpb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' /usr/bin/install -c -m 644 mpb.py solver.py mpb_data.py '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' Byte-compiling python modules... mpb.pysolver.pympb_data.py Byte-compiling python modules (optimized versions) ... mpb.pysolver.pympb_data.py make install-data-hook make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/python' mv /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/mpb.py /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/__init__.py make[6]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[5]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.25.0' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0' make[4]: Nothing to be done for 'install-exec-am'. /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig' /usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig' make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.25.0' rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.la rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.la rm -f -f debian/tmp/usr/lib/*/libpympb.la rm -f -f debian/tmp/usr/lib/*/libmeep.la rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/adjoint/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/mpb/__pycache__/ make[1]: Leaving directory '/build/reproducible-path/meep-1.25.0' dh_install dh_installdocs dh_installchangelogs dh_installman dh_lintian dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dh_strip -a dh_makeshlibs -a dh_shlibdeps -a dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.30.0.0 contains an unresolvable reference to symbol PyObject_HasAttrString: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.30.0.0 contains an unresolvable reference to symbol PyObject_IsTrue: it's probably a plugin dpkg-shlibdeps: warning: 97 other similar warnings have been skipped (use -v to see them all) dh_installdeb dh_gencontrol dh_md5sums dh_builddeb dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.25.0-4_arm64.deb'. dpkg-deb: building package 'meep' in '../meep_1.25.0-4_arm64.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.25.0-4_arm64.deb'. dpkg-deb: building package 'libmeep30-dbgsym' in '../libmeep30-dbgsym_1.25.0-4_arm64.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.25.0-4_arm64.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.25.0-4_arm64.deb'. dpkg-deb: building package 'libmeep30' in '../libmeep30_1.25.0-4_arm64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.25.0-4_arm64.buildinfo dpkg-genchanges --build=binary -O../meep_1.25.0-4_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/B01_cleanup starting I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/3798377 and its subdirectories I: Current time: Sat Nov 1 05:59:27 +14 2025 I: pbuilder-time-stamp: 1761926367 + false + set +x Fri Oct 31 15:59:27 UTC 2025 I: Signing ./b2/meep_1.25.0-4_arm64.buildinfo as meep_1.25.0-4_arm64.buildinfo.asc Fri Oct 31 15:59:27 UTC 2025 I: Signed ./b2/meep_1.25.0-4_arm64.buildinfo as ./b2/meep_1.25.0-4_arm64.buildinfo.asc Fri Oct 31 15:59:27 UTC 2025 - build #2 for meep/trixie/arm64 on codethink03-arm64 done. Starting cleanup. All cleanup done. Fri Oct 31 15:59:27 UTC 2025 - reproducible_build.sh stopped running as /tmp/jenkins-script-N3GOTtU3, removing. /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH: total 5180 drwxr-xr-x 2 jenkins jenkins 4096 Sep 28 08:28 b1 drwxr-xr-x 2 jenkins jenkins 4096 Sep 28 09:36 b2 -rw-r--r-- 1 jenkins jenkins 2471 Jul 28 11:43 meep_1.25.0-4.dsc -rw------- 1 jenkins jenkins 5278397 Sep 28 08:28 rbuildlog.sau5Xyt /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b1: total 17044 -rw-r--r-- 1 jenkins jenkins 5274536 Sep 28 08:28 build.log -rw-r--r-- 1 jenkins jenkins 465316 Sep 28 08:28 libmeep-dev_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 3337708 Sep 28 08:28 libmeep30-dbgsym_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 447748 Sep 28 08:28 libmeep30_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 1887316 Sep 28 08:28 meep-dbgsym_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 143720 Sep 28 08:28 meep_1.25.0-4.debian.tar.xz -rw-r--r-- 1 jenkins jenkins 2471 Sep 28 08:28 meep_1.25.0-4.dsc -rw-r--r-- 1 jenkins jenkins 13934 Sep 28 08:28 meep_1.25.0-4_arm64.buildinfo -rw-r--r-- 1 jenkins jenkins 14816 Sep 28 08:28 meep_1.25.0-4_arm64.buildinfo.asc -rw-r--r-- 1 jenkins jenkins 2988 Sep 28 08:28 meep_1.25.0-4_arm64.changes -rw-r--r-- 1 jenkins jenkins 272960 Sep 28 08:28 meep_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 1242 Sep 28 08:28 meep_1.25.0-4_source.changes -rw-r--r-- 1 jenkins jenkins 4720528 Sep 28 08:28 python3-meep-dbgsym_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 788124 Sep 28 08:28 python3-meep_1.25.0-4_arm64.deb /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b2: total 16996 -rw-r--r-- 1 jenkins jenkins 5276203 Sep 28 09:36 build.log -rw-r--r-- 1 jenkins jenkins 465316 Sep 28 09:36 libmeep-dev_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 3337708 Sep 28 09:36 libmeep30-dbgsym_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 447748 Sep 28 09:36 libmeep30_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 1887316 Sep 28 09:36 meep-dbgsym_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 143720 Sep 28 09:36 meep_1.25.0-4.debian.tar.xz -rw-r--r-- 1 jenkins jenkins 2471 Sep 28 09:36 meep_1.25.0-4.dsc -rw-r--r-- 1 jenkins jenkins 13934 Sep 28 09:36 meep_1.25.0-4_arm64.buildinfo -rw-r--r-- 1 jenkins jenkins 14816 Sep 28 09:36 meep_1.25.0-4_arm64.buildinfo.asc -rw-r--r-- 1 jenkins jenkins 2988 Sep 28 09:36 meep_1.25.0-4_arm64.changes -rw-r--r-- 1 jenkins jenkins 272960 Sep 28 09:36 meep_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 1242 Sep 28 09:36 meep_1.25.0-4_source.changes -rw-r--r-- 1 jenkins jenkins 4720528 Sep 28 09:36 python3-meep-dbgsym_1.25.0-4_arm64.deb -rw-r--r-- 1 jenkins jenkins 788124 Sep 28 09:36 python3-meep_1.25.0-4_arm64.deb Sat Sep 28 09:36:30 UTC 2024 I: Deleting $TMPDIR on codethink03-arm64.debian.net. Sat Sep 28 09:36:31 UTC 2024 I: meep_1.25.0-4_arm64.changes: Format: 1.8 Date: Sun, 28 Jul 2024 10:49:17 +0200 Source: meep Binary: libmeep-dev libmeep30 libmeep30-dbgsym meep meep-dbgsym python3-meep python3-meep-dbgsym Architecture: arm64 Version: 1.25.0-4 Distribution: unstable Urgency: medium Maintainer: Thorsten Alteholz Changed-By: Thorsten Alteholz Description: libmeep-dev - development library for using meep libmeep30 - library for using meep meep - software package for FDTD simulation python3-meep - software package for FDTD simulation with Python Closes: 1076280 Changes: meep (1.25.0-4) unstable; urgency=medium . * debian/control: add dependency python3-matplotlib (Closes: #1076280) * add debian/upstream/metadata Checksums-Sha1: 805380f0da0222eb639daaa11372364171238ca1 465316 libmeep-dev_1.25.0-4_arm64.deb fd2a47a60b4535b49cdd6033c319eb6c20777d07 3337708 libmeep30-dbgsym_1.25.0-4_arm64.deb f8a5463cb473efc35c52e43f7bada04ae8da4685 447748 libmeep30_1.25.0-4_arm64.deb eb4e7c719ed5d2b7b16fdecfcfdd5e7d76df636a 1887316 meep-dbgsym_1.25.0-4_arm64.deb bf0c141b77278455c359b22723163b142579e976 13934 meep_1.25.0-4_arm64.buildinfo dd20b0b52c24eeaf5d096ee75c9a22323d4d880a 272960 meep_1.25.0-4_arm64.deb 8c84bc28adc72d8ac7761dc8b508ce7af416ed84 4720528 python3-meep-dbgsym_1.25.0-4_arm64.deb c3a5de445114ca832a668056d4dbdf8ce7fc874b 788124 python3-meep_1.25.0-4_arm64.deb Checksums-Sha256: f8a2d3d11abcc723f7e490fd9731b646a9c58f8b6b9945d0e799e3f8b81f8447 465316 libmeep-dev_1.25.0-4_arm64.deb c2f6a6eef2fb0b42351a4ef5fb206e8b61541027d7f74a9cace5e3f95ab953a8 3337708 libmeep30-dbgsym_1.25.0-4_arm64.deb aea9fe42095b37dead8accdb850b4b8d995bbba1e9d2ae1b190b21e6c45991a5 447748 libmeep30_1.25.0-4_arm64.deb 4f2deb3b07dc08ff2a91bc6e7c5ba0816123a31e3f6d17b4975527353b162ceb 1887316 meep-dbgsym_1.25.0-4_arm64.deb fa31d81f6ae6b19f2670108a30852c1e2f41b967b23f5213321613e09389bff4 13934 meep_1.25.0-4_arm64.buildinfo dda37299ecef30206419cfe42c825116fa0e9c55c52ee488f2ede30c008da943 272960 meep_1.25.0-4_arm64.deb 7033dc5ff18a8cca319dcb9b52c4bf57a41283742eaa4c2d058e4af067f53dca 4720528 python3-meep-dbgsym_1.25.0-4_arm64.deb d0a5f32f9f338ebd927e7e8c9cce37e02f53395e24cda30beca6fcd257b80fb3 788124 python3-meep_1.25.0-4_arm64.deb Files: 1e482a381548ece1bfcaae26bdd563f8 465316 libdevel optional libmeep-dev_1.25.0-4_arm64.deb 707509c314b947cae0f17b2e400c41e4 3337708 debug optional libmeep30-dbgsym_1.25.0-4_arm64.deb 6dc6fe8d05bbc55eed4ef9eb3642638a 447748 libs optional libmeep30_1.25.0-4_arm64.deb 01eab515747bc7f7b7bb6751a3d6808d 1887316 debug optional meep-dbgsym_1.25.0-4_arm64.deb 9ae8974be1e317851932f84d6f9766cf 13934 science optional meep_1.25.0-4_arm64.buildinfo 7753dc057334b97f527f71993575c791 272960 science optional meep_1.25.0-4_arm64.deb 7f24e8e358325dfb386dc1e9ad49bb0f 4720528 debug optional python3-meep-dbgsym_1.25.0-4_arm64.deb c666ce46942a69c56474cc10e259fccd 788124 python optional python3-meep_1.25.0-4_arm64.deb removed '/var/lib/jenkins/userContent/reproducible/debian/rbuild/trixie/arm64/meep_1.25.0-4.rbuild.log' removed '/var/lib/jenkins/userContent/reproducible/debian/rbuild/trixie/arm64/meep_1.25.0-4.rbuild.log.gz' removed '/var/lib/jenkins/userContent/reproducible/debian/logs/trixie/arm64/meep_1.25.0-4.build1.log.gz' removed '/var/lib/jenkins/userContent/reproducible/debian/logs/trixie/arm64/meep_1.25.0-4.build2.log.gz' removed '/var/lib/jenkins/userContent/reproducible/debian/buildinfo/trixie/arm64/meep_1.25.0-4_arm64.buildinfo' removed '/var/lib/jenkins/userContent/reproducible/debian/logdiffs/trixie/arm64/meep_1.25.0-4.diff.gz' Diff of the two buildlogs: -- --- b1/build.log 2024-09-28 08:28:13.349375278 +0000 +++ b2/build.log 2024-09-28 09:36:30.542970561 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Fri Sep 27 19:55:58 -12 2024 -I: pbuilder-time-stamp: 1727510158 +I: Current time: Sat Nov 1 04:51:15 +14 2025 +I: pbuilder-time-stamp: 1761922275 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -29,52 +29,84 @@ dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/2107519/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/D01_modify_environment starting +debug: Running on codethink03-arm64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Oct 31 14:51 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='arm64' - DEBIAN_FRONTEND='noninteractive' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="32" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.2.32(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='de1cd10e2c4945d89e5243194fd0addd' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='2107519' - PS1='# ' - PS2='> ' + INVOCATION_ID=fc3b8f035ad5459e83430bb3bc7cd8e2 + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=3798377 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/pbuilderrc_FNIO --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b1 --logfile b1/build.log meep_1.25.0-4.dsc' - SUDO_GID='109' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://192.168.101.4:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/pbuilderrc_2o7y --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b2 --logfile b2/build.log meep_1.25.0-4.dsc' + SUDO_GID=109 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://192.168.101.4:3128 I: uname -a - Linux codethink02-arm64 6.1.0-25-cloud-arm64 #1 SMP Debian 6.1.106-3 (2024-08-26) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-25-cloud-arm64 #1 SMP Debian 6.1.106-3 (2024-08-26) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/2107519/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Aug 4 2024 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -87,7 +119,7 @@ Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. -(Reading database ... 19900 files and directories currently installed.) +(Reading database ... 19895 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: @@ -417,10 +449,10 @@ Get: 261 http://deb.debian.org/debian trixie/main arm64 python3-setuptools all 74.1.2-2 [736 kB] Get: 262 http://deb.debian.org/debian trixie/main arm64 quilt all 0.68-1 [437 kB] Get: 263 http://deb.debian.org/debian trixie/main arm64 swig arm64 4.2.1-1 [1350 kB] -Fetched 197 MB in 2s (126 MB/s) +Fetched 197 MB in 2s (125 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:arm64. -(Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19900 files and directories currently installed.) +(Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19895 files and directories currently installed.) Preparing to unpack .../libpython3.12-minimal_3.12.6-1_arm64.deb ... Unpacking libpython3.12-minimal:arm64 (3.12.6-1) ... Selecting previously unselected package libexpat1:arm64. @@ -433,7 +465,7 @@ Setting up libexpat1:arm64 (2.6.3-1) ... Setting up python3.12-minimal (3.12.6-1) ... Selecting previously unselected package python3-minimal. -(Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20220 files and directories currently installed.) +(Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20215 files and directories currently installed.) Preparing to unpack .../00-python3-minimal_3.12.5-1+b1_arm64.deb ... Unpacking python3-minimal (3.12.5-1+b1) ... Selecting previously unselected package media-types. @@ -495,7 +527,7 @@ Unpacking libpython3-stdlib:arm64 (3.12.5-1+b1) ... Setting up python3-minimal (3.12.5-1+b1) ... Selecting previously unselected package python3. -(Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21294 files and directories currently installed.) +(Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21289 files and directories currently installed.) Preparing to unpack .../000-python3_3.12.5-1+b1_arm64.deb ... Unpacking python3 (3.12.5-1+b1) ... Selecting previously unselected package sensible-utils. @@ -1274,8 +1306,8 @@ Setting up tzdata (2024a-4) ... Current default time zone: 'Etc/UTC' -Local time is now: Sat Sep 28 07:56:37 UTC 2024. -Universal Time is now: Sat Sep 28 07:56:37 UTC 2024. +Local time is now: Fri Oct 31 14:52:48 UTC 2025. +Universal Time is now: Fri Oct 31 14:52:48 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... @@ -1511,7 +1543,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/meep-1.25.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.25.0-4_source.changes +I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/meep-1.25.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../meep_1.25.0-4_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.25.0-4 dpkg-buildpackage: info: source distribution unstable @@ -1787,11 +1823,11 @@ Making all in src make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make sphere_quad -(echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/') > step_generic_stride1.cpp make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[4]: warning: jobserver unavailable: using -j1. Add '+' to parent make rule. +(echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/') > step_generic_stride1.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o sphere-quad.o sphere-quad.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 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-L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/src' (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h @@ -1799,38 +1835,38 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/src' Making all in support make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src/support' -/bin/bash ../../libtool --tag=CC --mode=compile aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c -o mt19937ar.lo mt19937ar.c +/bin/sh ../../libtool --tag=CC --mode=compile aarch64-linux-gnu-gcc -DHAVE_CONFIG_H 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meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] 327 | component cc = comp_list[com_it]; @@ -1885,21 +1929,7 @@ monitor.cpp:274:15: note: 'comp_list' declared here 274 | component comp_list[3]; | ^~~~~~~~~ -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1 -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. 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sources.cpp -fPIC -DPIC -o .libs/sources.o +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 144 | CHUNK_OPENMP -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. 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char*)': output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 115 | snprintf(outdirname, buflen, "%s-out", basename); @@ -1964,13 +1999,6 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o structure_dump.lo structure_dump.cpp -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong 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-2129,16 +2167,14 @@ 576 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:583: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 583 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meepgeom.lo meepgeom.cpp -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 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meepgeom.lo meepgeom.cpp +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o step_generic_stride1.cpp:93: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 93 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { @@ -2330,8 +2366,6 @@ 2617 | } | ^ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, double, meep::grid_volume&, double)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, @@ -2341,10 +2375,12 @@ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time 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-Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.30 -o .libs/libmeep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.30" && ln -s "libmeep.so.30.0.0" "libmeep.so.30") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.30.0.0" "libmeep.so") @@ -2408,6 +2444,10 @@ main.cpp:205:45: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 205 | gh_new_procedure("cadaptive-integration", (SCM(*)(void))cadaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)': +geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] + 2357 | vector3 axisp = vector3_scale(height, zhatp); + | ^~~~~ In file included from ctl-io.h:7, from ctl-io.cpp:7: ctl-io.cpp: In function 'void ctlio::export_external_functions()': @@ -2429,28 +2469,6 @@ ctl-io.cpp:2234:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2234 | gh_new_procedure("point-in-object?-aux", (SCM (*)()) point_in_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)': -geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] - 2357 | vector3 axisp = vector3_scale(height, zhatp); - | ^~~~~ -In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', - inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: -structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] - 581 | mat2 = mat1; - | ~~~~~^~~~~~ -structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': -structure.cpp:509:17: note: 'mat1' declared here - 509 | material_type mat1, mat2; - | ^~~~ -In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', - inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: -structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] - 595 | mat_front = mat1; - | ~~~~~~~~~~^~~~~~ -structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': -structure.cpp:509:17: note: 'mat1' declared here - 509 | material_type mat1, mat2; - | ^~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)': meep_wrap.cxx:36013:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36013 | arg1 = (meep::component const) scm_to_int(argv[0]); @@ -2472,13 +2490,31 @@ meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36145 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', + inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: +structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] + 581 | mat2 = mat1; + | ~~~~~^~~~~~ +structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': +structure.cpp:509:17: note: 'mat1' declared here + 509 | material_type mat1, mat2; + | ^~~~ +In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', + inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: +structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] + 595 | mat_front = mat1; + | ~~~~~~~~~~^~~~~~ +structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': +structure.cpp:509:17: note: 'mat1' declared here + 509 | material_type mat1, mat2; + | ^~~~ +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.25.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:30:1: warning: multi-line comment [-Wcomment] 30 | // #define LOOP_XYZ(md) \ @@ -2503,7 +2539,7 @@ 2012 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.30" && ln -s "libpympb.so.30.0.0" "libpympb.so.30") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.30.0.0" "libpympb.so") @@ -2529,10 +2565,10 @@ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx -/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx -libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx +/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o +libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o In file included from mpb-python.cxx:3362: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { @@ -2606,7 +2642,7 @@ typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.30 -o .libs/_mpb.so.30.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.30" && ln -s "_mpb.so.30.0.0" "_mpb.so.30") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.30.0.0" "_mpb.so") @@ -2614,7 +2650,7 @@ libtool: link: aarch64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.12 -I/usr/lib/python3/dist-packages/numpy/core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.25.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.30" && ln -s "_meep.so.30.0.0" "_meep.so.30") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.30.0.0" "_meep.so") @@ -2669,94 +2705,94 @@ make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/tests' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o aniso_disp.o aniso_disp.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o aniso_disp aniso_disp.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o aniso_disp aniso_disp.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/aniso_disp aniso_disp.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bench.o bench.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bench bench.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bench bench.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/bench bench.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bragg_transmission.o bragg_transmission.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bragg_transmission bragg_transmission.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bragg_transmission bragg_transmission.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/bragg_transmission bragg_transmission.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o convergence_cyl_waveguide.o convergence_cyl_waveguide.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o convergence_cyl_waveguide convergence_cyl_waveguide.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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-L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o gdsII-3d.o gdsII-3d.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o gdsII-3d gdsII-3d.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o gdsII-3d gdsII-3d.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/gdsII-3d gdsII-3d.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bend-flux-ll.o bend-flux-ll.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bend-flux-ll bend-flux-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bend-flux-ll bend-flux-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/bend-flux-ll bend-flux-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o array-metadata.o array-metadata.cpp -/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm +/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.25.0/tests' make check-TESTS @@ -3174,88 +3210,88 @@ ./src/libmeep.la ./src/step_generic_stride1.lo ./src/step_generic_stride1.o -./src/meepgeom.lo -./src/meepgeom.o ./src/step_generic.lo -./src/step_generic.o ./src/structure.lo +./src/step_generic.o ./src/structure.o +./src/meepgeom.lo +./src/meepgeom.o ./src/vec.lo ./src/vec.o -./src/GDSIIgeom.lo -./src/GDSIIgeom.o ./src/mpb.lo ./src/mpb.o +./src/GDSIIgeom.lo +./src/GDSIIgeom.o ./src/susceptibility.lo ./src/susceptibility.o +./src/structure_dump.lo +./src/structure_dump.o ./src/update_eh.lo ./src/update_eh.o ./src/time.lo ./src/time.o -./src/update_pols.lo -./src/structure_dump.lo -./src/update_pols.o +./src/step_db.lo +./src/step_db.o ./src/sources.lo -./src/structure_dump.o +./src/update_pols.lo ./src/sources.o -./src/step_db.lo +./src/update_pols.o ./src/near2far.lo -./src/step_db.o ./src/near2far.o ./src/stress.lo ./src/stress.o ./src/step.lo ./src/step.o -./src/multilevel-atom.lo -./src/multilevel-atom.o ./src/output_directory.lo ./src/output_directory.o ./src/random.lo ./src/random.o -./src/boundaries.lo +./src/multilevel-atom.lo +./src/multilevel-atom.o +./src/monitor.lo +./src/monitor.o ./src/mympi.lo ./src/mympi.o +./src/boundaries.lo ./src/boundaries.o -./src/monitor.lo -./src/monitor.o -./src/dft.lo -./src/integrate2.lo -./src/integrate2.o -./src/dft.o ./src/material_data.lo -./src/material_data.o ./src/anisotropic_averaging.lo +./src/material_data.o ./src/anisotropic_averaging.o -./src/loop_in_chunks.lo -./src/loop_in_chunks.o -./src/h5file.lo +./src/integrate2.lo +./src/integrate2.o +./src/dft.lo ./src/initialize.lo -./src/h5file.o ./src/initialize.o -./src/integrate.lo -./src/integrate.o +./src/dft.o ./src/h5fields.lo +./src/integrate.lo ./src/h5fields.o -./src/fix_boundary_sources.lo -./src/fix_boundary_sources.o +./src/integrate.o +./src/loop_in_chunks.lo +./src/loop_in_chunks.o +./src/h5file.lo +./src/h5file.o ./src/fields.lo -./src/array_slice.lo ./src/fields.o -./src/array_slice.o +./src/fix_boundary_sources.lo +./src/fix_boundary_sources.o ./src/cw_fields.lo ./src/cw_fields.o +./src/array_slice.lo +./src/array_slice.o ./src/fields_dump.lo ./src/fields_dump.o -./src/dft_ldos.lo -./src/dft_ldos.o ./src/casimir.lo ./src/casimir.o ./src/energy_and_flux.lo ./src/energy_and_flux.o -./src/bands.lo -./src/bands.o +./src/dft_ldos.lo +./src/dft_ldos.o ./src/bicgstab.lo ./src/bicgstab.o +./src/bands.lo +./src/bands.o ./src/sphere-quad.h ./src/sphere_quad ./src/.libs @@ -3266,47 +3302,47 @@ ./src/.libs/libmeep.so.30 ./src/.libs/libmeep.so.30.0.0 ./src/.libs/step_generic_stride1.o -./src/.libs/meepgeom.o ./src/.libs/step_generic.o -./src/.libs/vec.o ./src/.libs/structure.o +./src/.libs/meepgeom.o +./src/.libs/vec.o ./src/.libs/GDSIIgeom.o ./src/.libs/mpb.o -./src/.libs/update_pols.o -./src/.libs/update_eh.o ./src/.libs/susceptibility.o +./src/.libs/update_eh.o ./src/.libs/time.o ./src/.libs/structure_dump.o -./src/.libs/sources.o -./src/.libs/step_db.o +./src/.libs/update_pols.o ./src/.libs/stress.o -./src/.libs/near2far.o +./src/.libs/step_db.o +./src/.libs/sources.o ./src/.libs/step.o -./src/.libs/multilevel-atom.o -./src/.libs/random.o +./src/.libs/near2far.o ./src/.libs/output_directory.o +./src/.libs/random.o +./src/.libs/multilevel-atom.o ./src/.libs/mympi.o ./src/.libs/monitor.o ./src/.libs/integrate2.o ./src/.libs/material_data.o ./src/.libs/integrate.o -./src/.libs/h5file.o -./src/.libs/loop_in_chunks.o -./src/.libs/initialize.o ./src/.libs/h5fields.o +./src/.libs/initialize.o +./src/.libs/loop_in_chunks.o +./src/.libs/h5file.o ./src/.libs/fix_boundary_sources.o +./src/.libs/anisotropic_averaging.o ./src/.libs/boundaries.o ./src/.libs/dft.o -./src/.libs/anisotropic_averaging.o ./src/.libs/fields.o -./src/.libs/array_slice.o -./src/.libs/dft_ldos.o ./src/.libs/cw_fields.o +./src/.libs/array_slice.o ./src/.libs/fields_dump.o -./src/.libs/casimir.o ./src/.libs/energy_and_flux.o +./src/.libs/casimir.o ./src/.libs/bands.o ./src/.libs/bicgstab.o +./src/.libs/dft_ldos.o ./src/sphere-quad.o ./src/step_generic_stride1.cpp ./src/Makefile @@ -3384,8 +3420,8 @@ ./scheme/.libs/meep ./scheme/meep-meep_wrap.o ./scheme/meep-structure.o -./scheme/meep-geom.o ./scheme/meep-meep.o +./scheme/meep-geom.o ./scheme/meep-ctl-io.o ./scheme/meep-main.o ./scheme/meep_wrap.cxx @@ -3396,10 +3432,10 @@ ./scheme/main.cpp ./scheme/meep-enums.scm ./scheme/meep_swig_bug_workaround.i -./scheme/ctl-io.h ./scheme/meep_enum_renames.i -./scheme/ctl-io.i ./scheme/meep_renames.i +./scheme/ctl-io.h +./scheme/ctl-io.i ./scheme/meep.scm ./scheme/Makefile ./scheme/Makefile.in @@ -3534,10 +3570,10 @@ ./python/.libs/_mpb.so.30.0.0 ./python/.libs/_mpb_la-mpb-python.o ./python/__init__.py -./python/mpb.py -./python/mpb-python.cxx ./python/meep.py ./python/meep-python.cxx +./python/mpb.py +./python/mpb-python.cxx ./python/Makefile ./python/Makefile.in ./python/visualization.py @@ -4280,7 +4316,7 @@ FAIL: tests/test_adjoint_solver =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-7brkbjqm because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-lby7qqyv because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa @@ -4301,13 +4337,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3945 s +Elapsed run time = 1.1081 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-xkgzji38 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-lsoy3p3p because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa @@ -4328,13 +4364,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3277 s +Elapsed run time = 1.2564 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ -Matplotlib created a temporary cache directory at /tmp/matplotlib-xl5iququ because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-2d8na6vb because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa @@ -4355,7 +4391,7 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3227 s +Elapsed run time = 1.3297 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax @@ -4370,13 +4406,13 @@ FAIL: tests/test_binary_partition_utils ======================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-nktswsmd because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-5awzp2ey because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' -Elapsed run time = 0.0027 s +Elapsed run time = 0.0070 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating @@ -4391,19 +4427,19 @@ FAIL: tests/test_chunk_balancer =============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-yfg3cakl because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-uiqbe03e because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' -Elapsed run time = 0.0009 s +Elapsed run time = 0.0010 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= -Matplotlib created a temporary cache directory at /tmp/matplotlib-bt7ptunw because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-lob_8b_q because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa @@ -4413,13 +4449,13 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3239 s +Elapsed run time = 0.8235 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-2r21flha because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-bsp61nw7 because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.25.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa @@ -4440,15 +4476,15 @@ from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' -Elapsed run time = 0.3850 s +Elapsed run time = 0.8024 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-atrb3od7 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-2zqjwac_ because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. -/tmp/meepREy4kN/test_anisotropic_2d_gap-0 +/tmp/meepuUBjUW/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -4491,7 +4527,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.001493692398071289 +elapsed time for initialization: 0.009730100631713867 solve_kpoint (0,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8 Solving for bands 3 to 8... @@ -4602,7 +4638,7 @@ iteration 52: trace = 0.8320200571439178 (6.46369e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 -elapsed time for k point: 0.11549568176269531 +elapsed time for k point: 0.26336121559143066 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -4697,7 +4733,7 @@ iteration 45: trace = 0.8305318838345979 (5.16792e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 -elapsed time for k point: 0.14922094345092773 +elapsed time for k point: 0.3544275760650635 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -4790,7 +4826,7 @@ iteration 44: trace = 0.8299239457452547 (6.26865e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 -elapsed time for k point: 0.14523601531982422 +elapsed time for k point: 0.34191417694091797 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. @@ -4891,7 +4927,7 @@ iteration 48: trace = 0.828280840667425 (4.62034e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 -elapsed time for k point: 0.15791869163513184 +elapsed time for k point: 0.3673288822174072 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -4974,7 +5010,7 @@ iteration 39: trace = 0.8195746262296728 (5.82628e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 -elapsed time for k point: 0.12912249565124512 +elapsed time for k point: 0.3056023120880127 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5051,7 +5087,7 @@ iteration 36: trace = 0.8152593107299846 (8.54532e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 -elapsed time for k point: 0.11885356903076172 +elapsed time for k point: 0.2749059200286865 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5132,7 +5168,7 @@ iteration 38: trace = 0.8101088212743903 (5.41332e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 -elapsed time for k point: 0.1258258819580078 +elapsed time for k point: 0.2932772636413574 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -5211,7 +5247,7 @@ iteration 37: trace = 0.8027830712683004 (5.80017e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 -elapsed time for k point: 0.12223982810974121 +elapsed time for k point: 0.2820436954498291 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5292,7 +5328,7 @@ iteration 38: trace = 0.8027156837865843 (5.44382e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 -elapsed time for k point: 0.1258692741394043 +elapsed time for k point: 0.29761409759521484 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5381,7 +5417,7 @@ iteration 42: trace = 0.811128394246043 (9.45662e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 -elapsed time for k point: 0.1389455795288086 +elapsed time for k point: 0.3270699977874756 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -5493,7 +5529,7 @@ iteration 53: trace = 0.8190722270474002 (9.58313e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 -elapsed time for k point: 0.17524957656860352 +elapsed time for k point: 0.4076073169708252 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5587,7 +5623,7 @@ iteration 44: trace = 0.8090111116370096 (7.55188e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 -elapsed time for k point: 0.14687013626098633 +elapsed time for k point: 0.33460021018981934 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -5660,7 +5696,7 @@ iteration 34: trace = 0.8101014661646312 (5.19273e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 -elapsed time for k point: 0.11390280723571777 +elapsed time for k point: 0.26035475730895996 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5747,7 +5783,7 @@ iteration 41: trace = 0.8249014819373073 (9.03358e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 -elapsed time for k point: 0.17943549156188965 +elapsed time for k point: 0.32030153274536133 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -5828,7 +5864,7 @@ iteration 38: trace = 0.8293598597555056 (6.98776e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 -elapsed time for k point: 0.13454079627990723 +elapsed time for k point: 0.2938551902770996 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. @@ -5913,7 +5949,7 @@ iteration 40: trace = 0.8320200571443123 (8.06627e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 -..elapsed time for k point: 0.08919405937194824 +..elapsed time for k point: 0.20748281478881836 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024688 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.23061915826414672 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.21696776954474586 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855384 at Vector3<0.0, 0.0, 0.0> @@ -5922,15 +5958,15 @@ Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259549 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.34953853766123844 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230428 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011085 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.477306572259159 at Vector3<0.5, 0.5, 0.0> -total elapsed time for run: 2.1706135272979736 +total elapsed time for run: 4.942685127258301 done -/tmp/meepREy4kN/test_anisotropic_2d_gap-0: 2.17s +/tmp/meepuUBjUW/test_anisotropic_2d_gap-0: 4.94s -/tmp/meepREy4kN/test_attribute_accessors-0 +/tmp/meepuUBjUW/test_attribute_accessors-0 ======================== -/tmp/meepREy4kN/test_attribute_accessors-0: 0.00s +/tmp/meepuUBjUW/test_attribute_accessors-0: 0.00s -/tmp/meepREy4kN/test_bragg-0 +/tmp/meepuUBjUW/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -5958,7 +5994,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> -elapsed time for initialization: 0.0001926422119140625 +elapsed time for initialization: 0.00019121170043945312 solve_kpoint (0.5,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 1 to 8... @@ -5972,31 +6008,31 @@ linmin: converged after 5 iterations. iteration 4: trace = 18.64391851982911 (0.846506% change) linmin: converged after 8 iterations. - switching to approximate line minimization (decrease time by 50.4425%) iteration 5: trace = 18.63017324216899 (0.0737524% change) - switching back to exact line minimization - iteration 6: trace = 18.62916003756401 (0.00543866% change) + linmin: converged after 5 iterations. + iteration 6: trace = 18.62916003541502 (0.00543867% change) linmin: converged after 4 iterations. - iteration 7: trace = 18.62909545219934 (0.00034669% change) + iteration 7: trace = 18.62909545680369 (0.000346654% change) linmin: converged after 4 iterations. - iteration 8: trace = 18.62908848536587 (3.73976e-05% change) - linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 53.0769%) - iteration 9: trace = 18.62908777888122 (3.79237e-06% change) - iteration 10: trace = 18.62908770028848 (4.21882e-07% change) - iteration 11: trace = 18.62908769516048 (2.75269e-08% change) - iteration 12: trace = 18.62908769491559 (1.31455e-09% change) - iteration 13: trace = 18.62908769491733 (9.32561e-12% change) + iteration 8: trace = 18.62908848466774 (3.74261e-05% change) + linmin: converged after 4 iterations. + iteration 9: trace = 18.62908777894175 (3.7883e-06% change) + linmin: converged after 16 iterations. + switching to approximate line minimization (decrease time by 63.2911%) + iteration 10: trace = 18.6290877002945 (4.22174e-07% change) + iteration 11: trace = 18.62908769515245 (2.76022e-08% change) + iteration 12: trace = 18.6290876948879 (1.42013e-09% change) + iteration 13: trace = 18.62908769487537 (6.72627e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 -elapsed time for k point: 0.00171661376953125 -total elapsed time for run: 0.001983165740966797 +elapsed time for k point: 0.009937047958374023 +total elapsed time for run: 0.010217905044555664 done Fixing h-field (band 8) phase by 0.909537 + -0.415623i; max ampl. = 1.96664 -.Outputting fields to /tmp/meepREy4kN/test_bragg-0-h.k01.b08.y.tm.h5... -/tmp/meepREy4kN/test_bragg-0: 0.01s +.Outputting fields to /tmp/meepuUBjUW/test_bragg-0-h.k01.b08.y.tm.h5... +/tmp/meepuUBjUW/test_bragg-0: 0.03s -/tmp/meepREy4kN/test_bragg_sine-0 +/tmp/meepuUBjUW/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6032,7 +6068,7 @@ Vector3<0.4, 0.0, 0.0> Vector3<0.45, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> -elapsed time for initialization: 0.003194093704223633 +elapsed time for initialization: 0.003110647201538086 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -6066,7 +6102,7 @@ linmin: converged after 4 iterations. iteration 13: trace = 11.07167908240041 (5.41542e-06% change) linmin: converged after 10 iterations. - switching to approximate line minimization (decrease time by 53.6082%) + switching to approximate line minimization (decrease time by 52.9412%) iteration 14: trace = 11.07167889420393 (1.6998e-06% change) iteration 15: trace = 11.0716779976237 (8.09796e-06% change) iteration 16: trace = 11.07167518719081 (2.5384e-05% change) @@ -6082,13 +6118,13 @@ iteration 26: trace = 11.07167451350871 (5.36837e-11% change) Finished solving for bands 2 to 8 after 26 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991 -elapsed time for k point: 0.002496004104614258 +elapsed time for k point: 0.010664224624633789 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 11.04205589335819 (0.320414% change) linmin: converged after 11 iterations. - switching to approximate line minimization (decrease time by 54.8872%) + switching to approximate line minimization (decrease time by 56.2963%) iteration 2: trace = 11.02779351867074 (0.129248% change) iteration 3: trace = 11.02770475042544 (0.000804953% change) switching back to exact line minimization @@ -6259,7 +6295,7 @@ iteration 84: trace = 10.98801409304146 (6.64274e-11% change) Finished solving for bands 1 to 8 after 84 iterations. tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778 -elapsed time for k point: 0.010358810424804688 +elapsed time for k point: 0.026808738708496094 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -6284,7 +6320,7 @@ iteration 10: trace = 10.90344604730442 (1.08829e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 -elapsed time for k point: 0.0012481212615966797 +elapsed time for k point: 0.0012574195861816406 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6309,7 +6345,7 @@ iteration 10: trace = 10.82863032375297 (3.01838e-12% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 -elapsed time for k point: 0.001234292984008789 +elapsed time for k point: 0.0012483596801757812 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6332,7 +6368,7 @@ iteration 9: trace = 10.76374481699274 (5.60942e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 5, 0.2, 0, 0, 0.2, 0.0934195, 0.40505, 0.612091, 0.907101, 1.10696, 1.40468, 1.6041, 1.90311 -elapsed time for k point: 0.0011258125305175781 +elapsed time for k point: 0.005300760269165039 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6355,7 +6391,7 @@ iteration 9: trace = 10.70882562781128 (2.70049e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 -elapsed time for k point: 0.0010974407196044922 +elapsed time for k point: 0.0011038780212402344 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6378,7 +6414,7 @@ iteration 9: trace = 10.66388494713049 (1.40424e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533 -elapsed time for k point: 0.0011038780212402344 +elapsed time for k point: 0.0011119842529296875 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6401,7 +6437,7 @@ iteration 9: trace = 10.62892804596352 (6.73513e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 -elapsed time for k point: 0.0011067390441894531 +elapsed time for k point: 0.001096963882446289 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6422,7 +6458,7 @@ iteration 8: trace = 10.6039575357088 (3.45088e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 -elapsed time for k point: 0.0009756088256835938 +elapsed time for k point: 0.009188175201416016 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6443,7 +6479,7 @@ iteration 8: trace = 10.58897478377204 (2.91894e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885 -elapsed time for k point: 0.0009868144989013672 +elapsed time for k point: 0.0010275840759277344 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6464,7 +6500,7 @@ iteration 8: trace = 10.58398046491708 (1.51051e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 -.elapsed time for k point: 0.000980377197265625 +.elapsed time for k point: 0.0010013580322265625 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0> Band 2 range: 0.30640302623084414 at Vector3<0.5, 0.0, 0.0> to 0.46877485258675194 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5466257501316379 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541639 at Vector3<0.5, 0.0, 0.0> @@ -6480,11 +6516,11 @@ Gap from band 5 (1.244098004202587) to band 6 (1.2666566861855073), 1.7969642410133866% Gap from band 6 (1.4970379696966398) to band 7 (1.5115800994652084), 0.9666982936534588% Gap from band 7 (1.7488359039910488) to band 8 (1.7581683208483643), 0.532215889060857% -total elapsed time for run: 0.026332616806030273 +total elapsed time for run: 0.0635068416595459 done -/tmp/meepREy4kN/test_bragg_sine-0: 0.03s +/tmp/meepuUBjUW/test_bragg_sine-0: 0.06s -/tmp/meepREy4kN/test_compute_field_energy-0 +/tmp/meepuUBjUW/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -6527,7 +6563,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013759136199951172 +elapsed time for initialization: 0.0013892650604248047 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -6638,7 +6674,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.13987517356872559 +elapsed time for k point: 0.3277864456176758 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -6889,7 +6925,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.38936829566955566 +elapsed time for k point: 0.9128949642181396 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6946,7 +6982,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08549952507019043 +elapsed time for k point: 0.2057797908782959 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -6999,7 +7035,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07878398895263672 +elapsed time for k point: 0.18647527694702148 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7060,7 +7096,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09137463569641113 +elapsed time for k point: 0.2197716236114502 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7153,7 +7189,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14194917678833008 +elapsed time for k point: 0.3326561450958252 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -7224,7 +7260,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.1075735092163086 +elapsed time for k point: 0.25623631477355957 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7285,7 +7321,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09147453308105469 +elapsed time for k point: 0.211104154586792 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7338,7 +7374,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07884502410888672 +elapsed time for k point: 0.18996429443359375 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7390,7 +7426,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07537364959716797 +elapsed time for k point: 0.17419910430908203 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7442,7 +7478,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07522726058959961 +elapsed time for k point: 0.18234753608703613 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7483,7 +7519,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.05997800827026367 +elapsed time for k point: 0.13775134086608887 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7530,7 +7566,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06982231140136719 +elapsed time for k point: 0.16022133827209473 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7593,7 +7629,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09552383422851562 +elapsed time for k point: 0.22238421440124512 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -7666,7 +7702,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1119992733001709 +elapsed time for k point: 0.26354193687438965 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -7861,7 +7897,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24841690063476562 +elapsed time for k point: 0.573432207107544 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -7873,13 +7909,13 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9436283111572266 +total elapsed time for run: 4.5591394901275635 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 -./tmp/meepREy4kN/test_compute_field_energy-0: 1.95s +./tmp/meepuUBjUW/test_compute_field_energy-0: 4.57s -/tmp/meepREy4kN/test_compute_group_velocity-0 +/tmp/meepuUBjUW/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -7922,7 +7958,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013675689697265625 +elapsed time for initialization: 0.0013644695281982422 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -8033,7 +8069,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.13994526863098145 +elapsed time for k point: 0.32300829887390137 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8284,7 +8320,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.38962674140930176 +elapsed time for k point: 0.9204409122467041 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8341,7 +8377,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08596229553222656 +elapsed time for k point: 0.19748806953430176 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8394,7 +8430,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07942986488342285 +elapsed time for k point: 0.1864769458770752 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8455,7 +8491,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09197187423706055 +elapsed time for k point: 0.2196359634399414 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8548,7 +8584,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14279747009277344 +elapsed time for k point: 0.332561731338501 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -8619,7 +8655,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10819196701049805 +elapsed time for k point: 0.25604772567749023 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8680,7 +8716,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09180068969726562 +elapsed time for k point: 0.21930503845214844 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8733,7 +8769,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07904696464538574 +elapsed time for k point: 0.18575167655944824 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8785,7 +8821,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07551264762878418 +elapsed time for k point: 0.1744077205657959 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8837,7 +8873,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07552361488342285 +elapsed time for k point: 0.18259263038635254 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8878,7 +8914,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.05986976623535156 +elapsed time for k point: 0.1344144344329834 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8925,7 +8961,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.069793701171875 +elapsed time for k point: 0.16407299041748047 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -8988,7 +9024,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09536457061767578 +elapsed time for k point: 0.22234654426574707 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9061,7 +9097,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11194705963134766 +elapsed time for k point: 0.2639048099517822 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -9256,7 +9292,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.24610400199890137 +.elapsed time for k point: 0.5789370536804199 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -9268,11 +9304,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.945453405380249 +total elapsed time for run: 4.563988924026489 done -/tmp/meepREy4kN/test_compute_group_velocity-0: 1.95s +/tmp/meepuUBjUW/test_compute_group_velocity-0: 4.57s -/tmp/meepREy4kN/test_compute_integrals-0 +/tmp/meepuUBjUW/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -9315,7 +9351,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013387203216552734 +elapsed time for initialization: 0.009438276290893555 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -9426,7 +9462,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1388390064239502 +elapsed time for k point: 0.31976842880249023 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -9677,7 +9713,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3877885341644287 +elapsed time for k point: 0.9213314056396484 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9734,7 +9770,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.0856177806854248 +elapsed time for k point: 0.19677424430847168 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9787,7 +9823,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.0786747932434082 +elapsed time for k point: 0.18579673767089844 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9848,7 +9884,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09120583534240723 +elapsed time for k point: 0.21116352081298828 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -9941,7 +9977,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1421186923980713 +elapsed time for k point: 0.3402671813964844 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -10012,7 +10048,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10784125328063965 +elapsed time for k point: 0.25617408752441406 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10073,7 +10109,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09154748916625977 +elapsed time for k point: 0.21133852005004883 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10126,7 +10162,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.0791773796081543 +elapsed time for k point: 0.18641376495361328 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10178,7 +10214,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07544088363647461 +elapsed time for k point: 0.1824779510498047 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10230,7 +10266,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07529950141906738 +elapsed time for k point: 0.17429089546203613 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10271,7 +10307,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.05964827537536621 +elapsed time for k point: 0.14185547828674316 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10318,7 +10354,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.069122314453125 +elapsed time for k point: 0.16362476348876953 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10381,7 +10417,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09441494941711426 +elapsed time for k point: 0.22243165969848633 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -10454,7 +10490,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11073946952819824 +elapsed time for k point: 0.2590925693511963 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -10649,7 +10685,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24553847312927246 +elapsed time for k point: 0.5737590789794922 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -10661,14 +10697,14 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9355273246765137 +total elapsed time for run: 4.557199239730835 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099 -./tmp/meepREy4kN/test_compute_integrals-0: 1.94s +./tmp/meepuUBjUW/test_compute_integrals-0: 4.56s -/tmp/meepREy4kN/test_diamond-0 +/tmp/meepuUBjUW/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance @@ -10728,7 +10764,7 @@ Vector3<0.325, 0.75, 0.425> Vector3<0.35, 0.75, 0.4> Vector3<0.375, 0.75, 0.375> -elapsed time for initialization: 0.020632505416870117 +elapsed time for initialization: 0.04881787300109863 solve_kpoint (0,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5 Solving for bands 1 to 5... @@ -10845,7 +10881,7 @@ iteration 54: trace = 1.074849137530269 (7.18493e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 -elapsed time for k point: 0.38392066955566406 +elapsed time for k point: 0.8916015625 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -10919,7 +10955,7 @@ iteration 34: trace = 1.072165047038117 (4.88547e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 -elapsed time for k point: 0.24228334426879883 +elapsed time for k point: 0.5531156063079834 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -10984,7 +11020,7 @@ iteration 30: trace = 1.06549928654484 (4.31794e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 -elapsed time for k point: 0.21468138694763184 +elapsed time for k point: 0.48421239852905273 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11047,7 +11083,7 @@ iteration 29: trace = 1.057289581654965 (3.30141e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 -elapsed time for k point: 0.20788311958312988 +elapsed time for k point: 0.47698140144348145 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11108,7 +11144,7 @@ iteration 28: trace = 1.049127496701628 (7.79284e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 -elapsed time for k point: 0.20057082176208496 +elapsed time for k point: 0.4548530578613281 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11207,26 +11243,26 @@ iteration 45: trace = 1.041449469149446 (8.38971e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 -elapsed time for k point: 0.3193798065185547 +elapsed time for k point: 0.7353124618530273 Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 -Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b01.h5... +Outputting /tmp/meepuUBjUW/test_diamond-0-dpwr.k06.b01.h5... D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 -Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b02.h5... +Outputting /tmp/meepuUBjUW/test_diamond-0-dpwr.k06.b02.h5... D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 -Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b03.h5... +Outputting /tmp/meepuUBjUW/test_diamond-0-dpwr.k06.b03.h5... D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 -Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b04.h5... +Outputting /tmp/meepuUBjUW/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 -Outputting /tmp/meepREy4kN/test_diamond-0-dpwr.k06.b05.h5... +Outputting /tmp/meepuUBjUW/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... @@ -11321,7 +11357,7 @@ iteration 44: trace = 1.012177885713607 (8.00492e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 -elapsed time for k point: 0.31374406814575195 +elapsed time for k point: 0.7115864753723145 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11530,7 +11566,7 @@ iteration 98: trace = 0.9843245997396673 (8.04646e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 -elapsed time for k point: 0.6914100646972656 +elapsed time for k point: 1.5780177116394043 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11591,7 +11627,7 @@ iteration 28: trace = 0.9576556581103823 (3.54518e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 -elapsed time for k point: 0.20156121253967285 +elapsed time for k point: 0.4641153812408447 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -11650,7 +11686,7 @@ iteration 27: trace = 0.9411112577617193 (6.08486e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 -elapsed time for k point: 0.19347071647644043 +elapsed time for k point: 0.4449918270111084 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -11705,7 +11741,7 @@ iteration 25: trace = 0.9357235226332373 (8.36591e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 -elapsed time for k point: 0.1791853904724121 +elapsed time for k point: 0.41402316093444824 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. @@ -11756,7 +11792,7 @@ iteration 23: trace = 0.945790283755921 (2.37354e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 -elapsed time for k point: 0.16534924507141113 +elapsed time for k point: 0.3759586811065674 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. @@ -11809,7 +11845,7 @@ iteration 24: trace = 0.9752654264419814 (4.54328e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 -elapsed time for k point: 0.17235398292541504 +elapsed time for k point: 0.39958667755126953 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. @@ -11872,7 +11908,7 @@ iteration 29: trace = 1.018103142805607 (4.32485e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 -elapsed time for k point: 0.2075943946838379 +elapsed time for k point: 0.47913050651550293 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -11955,7 +11991,7 @@ iteration 39: trace = 1.053033043400877 (3.26625e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 -elapsed time for k point: 0.2774796485900879 +elapsed time for k point: 0.6482429504394531 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. @@ -12020,7 +12056,7 @@ iteration 30: trace = 1.064751580635709 (6.98613e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 -elapsed time for k point: 0.11260199546813965 +elapsed time for k point: 0.404308557510376 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 9 iterations. @@ -12083,7 +12119,7 @@ iteration 29: trace = 1.0539009862981 (7.6817e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 -elapsed time for k point: 0.20766282081604004 +elapsed time for k point: 0.5979759693145752 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12152,7 +12188,7 @@ iteration 32: trace = 1.050698953929234 (7.01406e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 -elapsed time for k point: 0.22975993156433105 +elapsed time for k point: 0.23152852058410645 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -12562,7 +12598,7 @@ iteration 196: trace = 1.068626525298606 (3.68195e-11% change) Finished solving for bands 1 to 5 after 196 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 -elapsed time for k point: 1.376673698425293 +elapsed time for k point: 2.410430908203125 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12799,7 +12835,7 @@ iteration 111: trace = 1.073945835690725 (7.52385e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 -elapsed time for k point: 0.7816362380981445 +elapsed time for k point: 0.9753363132476807 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12880,7 +12916,7 @@ iteration 38: trace = 1.074849137511864 (9.60194e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 -elapsed time for k point: 0.2704610824584961 +elapsed time for k point: 0.4374203681945801 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -12996,7 +13032,7 @@ iteration 54: trace = 1.072295938991753 (8.20841e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 -elapsed time for k point: 0.3813471794128418 +elapsed time for k point: 0.5695369243621826 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13085,7 +13121,7 @@ iteration 41: trace = 1.068969931035931 (7.09773e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 -elapsed time for k point: 0.29221630096435547 +elapsed time for k point: 0.3722386360168457 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13177,7 +13213,7 @@ iteration 43: trace = 1.06642153190616 (5.37402e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 -elapsed time for k point: 0.30532312393188477 +elapsed time for k point: 0.3099973201751709 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13269,7 +13305,7 @@ iteration 42: trace = 1.064700431018219 (3.82692e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 -elapsed time for k point: 0.2992849349975586 +elapsed time for k point: 0.3042755126953125 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13428,7 +13464,7 @@ iteration 73: trace = 1.065402856570094 (7.29448e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 -elapsed time for k point: 0.5157966613769531 +elapsed time for k point: 0.5300416946411133 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13517,7 +13553,7 @@ iteration 42: trace = 1.057545258821419 (4.71365e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 -elapsed time for k point: 0.29875659942626953 +elapsed time for k point: 0.32816147804260254 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13582,7 +13618,7 @@ iteration 30: trace = 1.048737745947218 (6.70535e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 -elapsed time for k point: 0.21512913703918457 +elapsed time for k point: 0.24004697799682617 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13653,7 +13689,7 @@ iteration 33: trace = 1.042055197882125 (5.9919e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 -elapsed time for k point: 0.23578691482543945 +elapsed time for k point: 0.34923291206359863 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. @@ -13736,7 +13772,7 @@ iteration 39: trace = 1.039345689984557 (8.34473e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 -elapsed time for k point: 0.2777707576751709 +elapsed time for k point: 0.31427764892578125 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. @@ -13852,18 +13888,18 @@ iteration 54: trace = 1.040877620150959 (8.65244e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 -Felapsed time for k point: 0.3826732635498047 +Felapsed time for k point: 0.5036649703979492 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905434 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080591 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729864 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254649 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.44355516512198084 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898843 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148895 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926983 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967658014080591) to band 3 (0.44237076681729864), 10.869497799550526% -total elapsed time for run: 10.194581985473633 +total elapsed time for run: 18.088467121124268 done -/tmp/meepREy4kN/test_diamond-0: 10.20s +/tmp/meepuUBjUW/test_diamond-0: 18.11s -/tmp/meepREy4kN/test_epsilon_input_file-0 +/tmp/meepuUBjUW/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -13905,7 +13941,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.002175569534301758 +elapsed time for initialization: 0.0021543502807617188 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -14034,7 +14070,7 @@ iteration 61: trace = 5.414470666068269 (7.20619e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 -elapsed time for k point: 0.16434597969055176 +elapsed time for k point: 0.37282347679138184 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14083,7 +14119,7 @@ iteration 22: trace = 5.384693219081496 (7.55613e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 -elapsed time for k point: 0.07303595542907715 +elapsed time for k point: 0.16978740692138672 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14126,7 +14162,7 @@ iteration 19: trace = 5.344827613715934 (7.49783e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 -elapsed time for k point: 0.06364274024963379 +elapsed time for k point: 0.14855027198791504 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14173,7 +14209,7 @@ iteration 21: trace = 5.332538776580063 (2.57999e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 -elapsed time for k point: 0.0697317123413086 +elapsed time for k point: 0.15820097923278809 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14226,7 +14262,7 @@ iteration 24: trace = 5.352151659035269 (5.8563e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 -elapsed time for k point: 0.07938575744628906 +elapsed time for k point: 0.18489480018615723 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14297,7 +14333,7 @@ iteration 33: trace = 5.378204986194199 (9.66258e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222 -elapsed time for k point: 0.10834097862243652 +elapsed time for k point: 0.24063944816589355 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14352,7 +14388,7 @@ iteration 25: trace = 5.28099171481807 (8.74389e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 -elapsed time for k point: 0.08271265029907227 +elapsed time for k point: 0.1914501190185547 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14401,7 +14437,7 @@ iteration 22: trace = 5.121436678029978 (6.86584e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532 -elapsed time for k point: 0.07283234596252441 +elapsed time for k point: 0.16504311561584473 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14440,7 +14476,7 @@ iteration 17: trace = 4.989265495381122 (5.02544e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 -elapsed time for k point: 0.05691075325012207 +elapsed time for k point: 0.12507939338684082 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -14477,7 +14513,7 @@ iteration 16: trace = 4.906005206120695 (8.89083e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708 -elapsed time for k point: 0.05347132682800293 +elapsed time for k point: 0.13010001182556152 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -14514,7 +14550,7 @@ iteration 16: trace = 4.877776571705265 (7.49469e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735 -elapsed time for k point: 0.05356621742248535 +elapsed time for k point: 0.17865777015686035 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14551,7 +14587,7 @@ iteration 16: trace = 4.933541210214663 (4.67714e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665 -elapsed time for k point: 0.05356121063232422 +elapsed time for k point: 0.19048333168029785 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14596,7 +14632,7 @@ iteration 20: trace = 5.086788979299679 (3.46416e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247 -elapsed time for k point: 0.06652235984802246 +elapsed time for k point: 0.23598074913024902 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14651,7 +14687,7 @@ iteration 25: trace = 5.263256512288837 (3.40876e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602 -elapsed time for k point: 0.08243656158447266 +elapsed time for k point: 0.2993917465209961 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -14710,7 +14746,7 @@ iteration 27: trace = 5.362887848881172 (8.62858e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311 -elapsed time for k point: 0.08894062042236328 +elapsed time for k point: 0.32256460189819336 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -14788,7 +14824,7 @@ iteration 36: trace = 5.414470666066693 (4.41918e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 -F.elapsed time for k point: 0.09747767448425293 +F.elapsed time for k point: 0.3546888828277588 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772992 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059654 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814894 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009817 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255618 at Vector3<0.0, 0.0, 0.0> @@ -14800,15 +14836,15 @@ Gap from band 2 (0.5781812856814894) to band 3 (0.5781815082009817), 3.848610374769843e-05% Gap from band 4 (0.8051999839699239) to band 5 (0.8170847453549143), 1.4651880980149015% Gap from band 7 (1.0580309832489807) to band 8 (1.0660233597945281), 0.7525585747580559% -total elapsed time for run: 1.2702584266662598 +total elapsed time for run: 3.4716596603393555 done -/tmp/meepREy4kN/test_epsilon_input_file-0: 1.27s +/tmp/meepuUBjUW/test_epsilon_input_file-0: 3.47s -/tmp/meepREy4kN/test_first_brillouin_zone-0 +/tmp/meepuUBjUW/test_first_brillouin_zone-0 ======================== -/tmp/meepREy4kN/test_first_brillouin_zone-0: 0.11s +/tmp/meepuUBjUW/test_first_brillouin_zone-0: 0.28s -/tmp/meepREy4kN/test_fractional_lattice-0 +/tmp/meepuUBjUW/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -14851,7 +14887,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.00020837783813476562 +elapsed time for initialization: 0.0002040863037109375 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -14860,7 +14896,7 @@ linmin: converged after 7 iterations. iteration 2: trace = 83.8504910917422 (11.9223% change) linmin: converged after 5 iterations. - switching to approximate line minimization (decrease time by 52.8302%) + switching to approximate line minimization (decrease time by 55.7692%) iteration 3: trace = 83.3461110942816 (0.603338% change) iteration 4: trace = 83.3335997859713 (0.0150124% change) iteration 5: trace = 83.33333949085052 (0.000312354% change) @@ -14870,7 +14906,7 @@ iteration 9: trace = 83.33333333333437 (5.80485e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 -elapsed time for k point: 0.000982046127319336 +elapsed time for k point: 0.01307821273803711 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. @@ -14879,112 +14915,112 @@ iteration 2: trace = 82.33333333333381 (1.54651e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 -elapsed time for k point: 0.0006320476531982422 +elapsed time for k point: 0.0006239414215087891 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82.66666666666671 (5.67288e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 -elapsed time for k point: 0.00016117095947265625 +elapsed time for k point: 0.0001595020294189453 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (3.37016e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 -elapsed time for k point: 0.0001506805419921875 +elapsed time for k point: 0.00015473365783691406 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 57.7465%) + switching to approximate line minimization (decrease time by 55.2632%) iteration 1: trace = 87.33333333333333 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 -elapsed time for k point: 0.00017642974853515625 +elapsed time for k point: 0.00017905235290527344 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.66666666666669 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 -elapsed time for k point: 0.00017070770263671875 +elapsed time for k point: 0.00015020370483398438 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 8 iterations. - switching to approximate line minimization (decrease time by 62.7907%) + switching to approximate line minimization (decrease time by 65.8537%) iteration 1: trace = 90.66666666676359 (3.571% change) iteration 2: trace = 90.66666762987174 (1.06225e-06% change) iteration 3: trace = 90.66666666666723 (1.06236e-06% change) iteration 4: trace = 90.66666666666674 (5.32907e-13% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 -elapsed time for k point: 0.0003237724304199219 +elapsed time for k point: 0.0003154277801513672 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.00000000000001 (7.80816e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 -elapsed time for k point: 0.000156402587890625 +elapsed time for k point: 0.00015497207641601562 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 92.66666666666667 (1.53355e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 -elapsed time for k point: 0.00015020370483398438 +elapsed time for k point: 0.0001723766326904297 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 46 iterations. iteration 1: trace = 95.66666666666666 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 -elapsed time for k point: 0.00037217140197753906 +elapsed time for k point: 0.00038242340087890625 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. - switching to approximate line minimization (decrease time by 57.3529%) + switching to approximate line minimization (decrease time by 58.3333%) iteration 1: trace = 100 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435 -elapsed time for k point: 0.00017642974853515625 +elapsed time for k point: 0.00017905235290527344 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 -elapsed time for k point: 0.00016570091247558594 +elapsed time for k point: 0.00015211105346679688 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 46 iterations. iteration 1: trace = 85.33333333333334 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 -elapsed time for k point: 0.00037860870361328125 +elapsed time for k point: 0.0003895759582519531 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 -elapsed time for k point: 0.00015306472778320312 +elapsed time for k point: 0.0001742839813232422 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 40 iterations. iteration 1: trace = 81.33333333333334 (1.74724e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 -elapsed time for k point: 0.0003478527069091797 +elapsed time for k point: 0.0003552436828613281 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 33 iterations. iteration 1: trace = 83.33333333333334 (0% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 -.elapsed time for k point: 0.0002682209014892578 +.elapsed time for k point: 0.0002694129943847656 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.041241452319313 at Vector3<0.5, 0.5, 0.0> Band 2 range: 1.443375672974069 at Vector3<0.5, 0.0, 0.0> to 2.886751345948136 at Vector3<0.0, 0.0, 0.0> Band 3 range: 2.041241452319315 at Vector3<0.5, 0.5, 0.0> to 3.227486121839512 at Vector3<0.5, 0.0, 0.0> @@ -14993,11 +15029,11 @@ Band 6 range: 3.2274861218395166 at Vector3<0.5, 0.0, 0.0> to 4.564354645876382 at Vector3<0.5, 0.5, 0.0> Band 7 range: 3.696845502136475 at Vector3<0.2, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665331 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.005366325378417969 +total elapsed time for run: 0.017470598220825195 done -/tmp/meepREy4kN/test_fractional_lattice-0: 0.01s +/tmp/meepuUBjUW/test_fractional_lattice-0: 0.02s -/tmp/meepREy4kN/test_get_bfield-0 +/tmp/meepuUBjUW/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -15040,7 +15076,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013740062713623047 +elapsed time for initialization: 0.0013513565063476562 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -15151,7 +15187,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14104485511779785 +elapsed time for k point: 0.16882658004760742 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15402,7 +15438,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39132118225097656 +elapsed time for k point: 0.7781944274902344 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15459,7 +15495,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08648061752319336 +elapsed time for k point: 0.1632540225982666 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15512,7 +15548,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.0793600082397461 +elapsed time for k point: 0.2856314182281494 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15573,7 +15609,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09203028678894043 +elapsed time for k point: 0.3345029354095459 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15666,7 +15702,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14412641525268555 +elapsed time for k point: 0.5382211208343506 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -15737,7 +15773,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10926938056945801 +elapsed time for k point: 0.39524006843566895 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15798,7 +15834,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09262204170227051 +elapsed time for k point: 0.3383498191833496 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15851,7 +15887,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.0800015926361084 +elapsed time for k point: 0.2814371585845947 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15903,7 +15939,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07626056671142578 +elapsed time for k point: 0.22568178176879883 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15955,7 +15991,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07664728164672852 +elapsed time for k point: 0.19356918334960938 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -15996,7 +16032,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06087064743041992 +elapsed time for k point: 0.18575501441955566 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16043,7 +16079,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.07089519500732422 +elapsed time for k point: 0.3439502716064453 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16106,7 +16142,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09673190116882324 +elapsed time for k point: 0.3371739387512207 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16179,7 +16215,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11305594444274902 +elapsed time for k point: 0.33771467208862305 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -16374,7 +16410,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.25553059577941895 +elapsed time for k point: 0.8224339485168457 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -16386,12 +16422,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9687755107879639 +total elapsed time for run: 5.732457399368286 done Fixing b-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 -./tmp/meepREy4kN/test_get_bfield-0: 1.97s +./tmp/meepuUBjUW/test_get_bfield-0: 5.75s -/tmp/meepREy4kN/test_get_dfield-0 +/tmp/meepuUBjUW/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -16434,7 +16470,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013926029205322266 +elapsed time for initialization: 0.0013737678527832031 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -16545,7 +16581,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14209485054016113 +elapsed time for k point: 0.34311842918395996 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -16796,7 +16832,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.41240358352661133 +elapsed time for k point: 1.143489122390747 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16853,7 +16889,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08717846870422363 +elapsed time for k point: 0.28858399391174316 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16906,7 +16942,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.08025097846984863 +elapsed time for k point: 0.26154303550720215 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -16967,7 +17003,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.0926520824432373 +elapsed time for k point: 0.31435203552246094 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17060,7 +17096,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1441810131072998 +elapsed time for k point: 0.4834141731262207 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -17131,7 +17167,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.1087954044342041 +elapsed time for k point: 0.3677845001220703 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17192,7 +17228,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.0925905704498291 +elapsed time for k point: 0.311234712600708 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17245,7 +17281,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07954764366149902 +elapsed time for k point: 0.26131534576416016 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17297,7 +17333,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07593464851379395 +elapsed time for k point: 0.26183533668518066 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17349,7 +17385,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07592082023620605 +elapsed time for k point: 0.24979400634765625 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17390,7 +17426,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.06020927429199219 +elapsed time for k point: 0.20388507843017578 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17437,7 +17473,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06990456581115723 +elapsed time for k point: 0.27055835723876953 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17500,7 +17536,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09526467323303223 +elapsed time for k point: 0.408184289932251 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -17573,7 +17609,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11182188987731934 +elapsed time for k point: 0.47629761695861816 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -17768,7 +17804,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24912142753601074 +elapsed time for k point: 0.6727073192596436 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -17780,12 +17816,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.98044753074646 +total elapsed time for run: 6.320634841918945 done Fixing d-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 8.66842 -./tmp/meepREy4kN/test_get_dfield-0: 1.98s +./tmp/meepuUBjUW/test_get_dfield-0: 6.33s -/tmp/meepREy4kN/test_get_efield-0 +/tmp/meepuUBjUW/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -17828,7 +17864,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013813972473144531 +elapsed time for initialization: 0.0013394355773925781 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -17939,7 +17975,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1404869556427002 +elapsed time for k point: 0.2323920726776123 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18190,7 +18226,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3914182186126709 +elapsed time for k point: 0.41986870765686035 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18247,7 +18283,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.0862581729888916 +elapsed time for k point: 0.09664249420166016 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18300,7 +18336,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07938408851623535 +elapsed time for k point: 0.10118722915649414 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18361,7 +18397,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09195184707641602 +elapsed time for k point: 0.09416747093200684 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18454,7 +18490,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14332270622253418 +elapsed time for k point: 0.2830162048339844 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -18525,7 +18561,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10846352577209473 +elapsed time for k point: 0.25482892990112305 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18586,7 +18622,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.0921471118927002 +elapsed time for k point: 0.21255230903625488 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18639,7 +18675,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07945013046264648 +elapsed time for k point: 0.1800541877746582 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18691,7 +18727,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.075958251953125 +elapsed time for k point: 0.1818993091583252 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18743,7 +18779,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07578325271606445 +elapsed time for k point: 0.17765069007873535 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18784,7 +18820,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.060088396072387695 +elapsed time for k point: 0.14000964164733887 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18831,7 +18867,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06975007057189941 +elapsed time for k point: 0.16163158416748047 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18894,7 +18930,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09536480903625488 +elapsed time for k point: 0.11757588386535645 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -18967,7 +19003,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11152863502502441 +elapsed time for k point: 0.18662691116333008 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -19162,7 +19198,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24937200546264648 +elapsed time for k point: 0.48265552520751953 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -19174,12 +19210,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9532732963562012 +total elapsed time for run: 3.325226306915283 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 -./tmp/meepREy4kN/test_get_efield-0: 1.96s +./tmp/meepuUBjUW/test_get_efield-0: 3.33s -/tmp/meepREy4kN/test_get_eigenvectors-0 +/tmp/meepuUBjUW/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -19222,7 +19258,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013782978057861328 +elapsed time for initialization: 0.0013575553894042969 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -19333,7 +19369,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1405961513519287 +elapsed time for k point: 0.28745245933532715 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896 @@ -19592,7 +19628,7 @@ iteration 121: trace = 5.540497242579402 (3.79446e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.39182138442993164 +elapsed time for k point: 0.8268325328826904 Fixing h-field (band 1) phase by -1 + 2.59125e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113246i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000421577 + -1i; max ampl. = 3.73536 @@ -19657,7 +19693,7 @@ iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08574414253234863 +elapsed time for k point: 0.17840147018432617 Fixing h-field (band 1) phase by 1 + -4.11365e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.201e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10219e-09 + 1i; max ampl. = 2.65638 @@ -19718,7 +19754,7 @@ iteration 24: trace = 5.485459080087866 (6.13982e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07934188842773438 +elapsed time for k point: 0.2373661994934082 Fixing h-field (band 1) phase by 1 + 7.44546e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -1.25145e-13i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.75073e-13i; max ampl. = 2.62315 @@ -19787,7 +19823,7 @@ iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09197521209716797 +elapsed time for k point: 0.34624814987182617 Fixing h-field (band 1) phase by 1 + 9.1952e-18i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -1.24699e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.89889e-15i; max ampl. = 3.69829 @@ -19888,7 +19924,7 @@ iteration 44: trace = 5.538866868553962 (9.68056e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14405083656311035 +elapsed time for k point: 0.4887547492980957 Fixing h-field (band 1) phase by 1 + -8.3688e-17i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 2.73398e-18i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + 2.92499e-15i; max ampl. = 4.1103 @@ -19967,7 +20003,7 @@ iteration 33: trace = 5.419797732958387 (9.11646e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10843753814697266 +elapsed time for k point: 0.25319504737854004 Fixing h-field (band 1) phase by 1 + -2.73517e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + -6.3175e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + 2.50805e-13i; max ampl. = 3.95334 @@ -20036,7 +20072,7 @@ iteration 28: trace = 5.240853948733923 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09218740463256836 +elapsed time for k point: 0.22159218788146973 Fixing h-field (band 1) phase by 1 + 5.7372e-16i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + 9.3105e-13i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + 6.29261e-13i; max ampl. = 3.50756 @@ -20097,7 +20133,7 @@ iteration 24: trace = 5.096544273410623 (7.59995e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07899880409240723 +elapsed time for k point: 0.20287227630615234 Fixing h-field (band 1) phase by -1 + 7.04169e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + -1.57493e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by -1 + -8.3309e-13i; max ampl. = 2.78416 @@ -20157,7 +20193,7 @@ iteration 23: trace = 5.006436496341392 (6.08507e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07633042335510254 +elapsed time for k point: 0.09633469581604004 Fixing h-field (band 1) phase by 1 + -1.79442e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -4.56205e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + 9.55568e-16i; max ampl. = 1.66014 @@ -20217,7 +20253,7 @@ iteration 23: trace = 4.975984265381781 (5.45653e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07591390609741211 +elapsed time for k point: 0.11269736289978027 Fixing h-field (band 1) phase by 1 + -1.87958e-17i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.02546e-13i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.01376e-13 + 1i; max ampl. = 1.85505 @@ -20266,7 +20302,7 @@ iteration 18: trace = 5.036378479895266 (5.46517e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.0599207878112793 +elapsed time for k point: 0.08153605461120605 Fixing h-field (band 1) phase by 1 + -4.27711e-17i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.20874e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -8.38065e-10 + -1i; max ampl. = 1.92561 @@ -20321,7 +20357,7 @@ iteration 21: trace = 5.206566305891688 (3.92353e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06994509696960449 +elapsed time for k point: 0.09549784660339355 Fixing h-field (band 1) phase by 1 + 1.28137e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + 5.34357e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -5.2077e-10 + 1i; max ampl. = 2.16532 @@ -20392,7 +20428,7 @@ iteration 29: trace = 5.417088766409225 (6.16157e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09543418884277344 +elapsed time for k point: 0.22351360321044922 Fixing h-field (band 1) phase by 1 + 1.45835e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -3.55376e-15i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -7.62302e-11 + 1i; max ampl. = 2.6696 @@ -20473,7 +20509,7 @@ iteration 34: trace = 5.522267645664741 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.111663818359375 +elapsed time for k point: 0.3475644588470459 Fixing h-field (band 1) phase by 1 + -6.59241e-17i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 2.71862e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by 2.63682e-10 + 1i; max ampl. = 3.59476 @@ -20676,7 +20712,7 @@ iteration 93: trace = 5.548117725324982 (3.6996e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24893999099731445 +elapsed time for k point: 0.9332866668701172 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + -2.32469e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -3.17397e-12 + 1i; max ampl. = 4.27896 @@ -20696,11 +20732,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677085) to band 5 (0.8241814443502149), 1.7739824912428712% Gap from band 7 (1.086072932359415) to band 8 (1.0878689635052698), 0.16523267243447132% -total elapsed time for run: 1.965979814529419 +total elapsed time for run: 4.957497835159302 done -/tmp/meepREy4kN/test_get_eigenvectors-0: 1.98s +/tmp/meepuUBjUW/test_get_eigenvectors-0: 4.99s -/tmp/meepREy4kN/test_get_hfield-0 +/tmp/meepuUBjUW/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -20743,7 +20779,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013766288757324219 +elapsed time for initialization: 0.0016918182373046875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -20854,7 +20890,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14078998565673828 +elapsed time for k point: 0.1654682159423828 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21105,7 +21141,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3914039134979248 +elapsed time for k point: 0.8318471908569336 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21162,7 +21198,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08646035194396973 +elapsed time for k point: 0.37545228004455566 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21215,7 +21251,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07943320274353027 +elapsed time for k point: 0.3322489261627197 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21276,7 +21312,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09204959869384766 +elapsed time for k point: 0.39717888832092285 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21369,7 +21405,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1428239345550537 +elapsed time for k point: 0.521719217300415 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -21440,7 +21476,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10841679573059082 +elapsed time for k point: 0.29021215438842773 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21501,7 +21537,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09201359748840332 +elapsed time for k point: 0.2821483612060547 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21554,7 +21590,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07966375350952148 +elapsed time for k point: 0.1826927661895752 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21606,7 +21642,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07599449157714844 +elapsed time for k point: 0.25316429138183594 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21658,7 +21694,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07589435577392578 +elapsed time for k point: 0.2842230796813965 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21699,7 +21735,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.060006141662597656 +elapsed time for k point: 0.2567460536956787 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21746,7 +21782,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06959033012390137 +elapsed time for k point: 0.18863821029663086 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21809,7 +21845,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09512782096862793 +elapsed time for k point: 0.15994954109191895 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -21882,7 +21918,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1113893985748291 +elapsed time for k point: 0.15206289291381836 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -22077,7 +22113,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24898910522460938 +elapsed time for k point: 0.38417863845825195 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -22089,12 +22125,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9526050090789795 +total elapsed time for run: 5.060826539993286 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 -./tmp/meepREy4kN/test_get_hfield-0: 1.96s +./tmp/meepuUBjUW/test_get_hfield-0: 5.07s -/tmp/meepREy4kN/test_handle_cvector-0 +/tmp/meepuUBjUW/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -22137,7 +22173,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0014469623565673828 +elapsed time for initialization: 0.0014805793762207031 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -22192,7 +22228,7 @@ iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.06577444076538086 +elapsed time for k point: 0.15948200225830078 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22233,7 +22269,7 @@ iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.05990266799926758 +elapsed time for k point: 0.13016915321350098 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22268,7 +22304,7 @@ iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.050351858139038086 +elapsed time for k point: 0.11349868774414062 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22301,7 +22337,7 @@ iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.04737710952758789 +elapsed time for k point: 0.09773397445678711 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22332,7 +22368,7 @@ iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.043961286544799805 +elapsed time for k point: 0.10231804847717285 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22363,7 +22399,7 @@ iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.043866872787475586 +elapsed time for k point: 0.08418488502502441 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22392,7 +22428,7 @@ iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.04075431823730469 +elapsed time for k point: 0.05457615852355957 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22421,7 +22457,7 @@ iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.04064488410949707 +elapsed time for k point: 0.055269479751586914 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22446,7 +22482,7 @@ iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.034295082092285156 +elapsed time for k point: 0.07616090774536133 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22471,7 +22507,7 @@ iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.03455495834350586 +elapsed time for k point: 0.09594464302062988 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22494,7 +22530,7 @@ iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.03105783462524414 +elapsed time for k point: 0.09578061103820801 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 @@ -22529,7 +22565,7 @@ iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.0374598503112793 +elapsed time for k point: 0.11031556129455566 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22558,7 +22594,7 @@ iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.04068446159362793 +elapsed time for k point: 0.12978696823120117 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -22589,7 +22625,7 @@ iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.0439302921295166 +elapsed time for k point: 0.13264918327331543 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -22628,7 +22664,7 @@ iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.05679011344909668 +elapsed time for k point: 0.1787121295928955 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -22665,7 +22701,7 @@ iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.04456162452697754 +elapsed time for k point: 0.13299798965454102 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> @@ -22679,7 +22715,7 @@ Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% -total elapsed time for run: 0.7205410003662109 +total elapsed time for run: 1.762998342514038 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -22697,9 +22733,9 @@ imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 -./tmp/meepREy4kN/test_handle_cvector-0: 0.75s +./tmp/meepuUBjUW/test_handle_cvector-0: 1.86s -/tmp/meepREy4kN/test_hermitian_eps-0 +/tmp/meepuUBjUW/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance @@ -22737,7 +22773,7 @@ Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Vector3<0.16666666666666669, 0.16666666666666669, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0016388893127441406 +elapsed time for initialization: 0.00978851318359375 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10 Solving for bands 2 to 10... @@ -27303,7 +27339,7 @@ iteration 2030: trace = 2.393039434225272 (7.40075e-11% change) Finished solving for bands 2 to 10 after 2030 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 -elapsed time for k point: 14.59436559677124 +elapsed time for k point: 29.249699115753174 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -30548,7 +30584,7 @@ iteration 1433: trace = 2.412629746890513 (6.19207e-11% change) Finished solving for bands 1 to 10 after 1433 iterations. tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 -elapsed time for k point: 12.025022983551025 +elapsed time for k point: 22.505884170532227 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -33745,7 +33781,7 @@ iteration 1428: trace = 2.451789422816662 (7.25058e-11% change) Finished solving for bands 1 to 10 after 1428 iterations. tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287 -elapsed time for k point: 11.978967189788818 +elapsed time for k point: 22.914533615112305 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -36557,7 +36593,7 @@ iteration 1256: trace = 2.449292757899889 (8.6976e-11% change) Finished solving for bands 1 to 10 after 1256 iterations. tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689 -elapsed time for k point: 10.546871662139893 +elapsed time for k point: 16.750084400177002 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. @@ -38867,7 +38903,7 @@ iteration 1019: trace = 2.485865194954441 (8.38206e-11% change) Finished solving for bands 1 to 10 after 1019 iterations. tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894 -elapsed time for k point: 8.567003726959229 +elapsed time for k point: 16.498380422592163 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. @@ -40419,7 +40455,7 @@ iteration 690: trace = 2.578881665319939 (9.58133e-11% change) Finished solving for bands 1 to 10 after 690 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 -elapsed time for k point: 5.802289009094238 +elapsed time for k point: 6.338700771331787 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -41524,7 +41560,7 @@ iteration 487: trace = 2.65386095711466 (8.93747e-11% change) Finished solving for bands 1 to 10 after 487 iterations. tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323 -elapsed time for k point: 4.108085870742798 +elapsed time for k point: 11.265194416046143 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -42954,7 +42990,7 @@ iteration 627: trace = 2.532226604633134 (7.77087e-11% change) Finished solving for bands 1 to 10 after 627 iterations. tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154 -elapsed time for k point: 5.28453516960144 +elapsed time for k point: 11.900802612304688 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. @@ -44915,7 +44951,7 @@ iteration 866: trace = 2.429159854377398 (7.48266e-11% change) Finished solving for bands 1 to 10 after 866 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 -elapsed time for k point: 7.2785632610321045 +elapsed time for k point: 16.914480209350586 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. @@ -46361,7 +46397,7 @@ iteration 641: trace = 2.393039431913088 (6.48029e-11% change) Finished solving for bands 2 to 10 after 641 iterations. tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 -.elapsed time for k point: 4.619410514831543 +.elapsed time for k point: 10.181286334991455 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2156485263339956 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.2658849785678317 at Vector3<0.0, 0.0, 0.0> to 0.3546302405484167 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.35621423559129134 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517839886 at Vector3<0.5, 0.0, 0.0> @@ -46377,11 +46413,11 @@ Gap from band 3 (0.36527833517839886) to band 4 (0.36899013666801306), 1.0110202553789074% Gap from band 7 (0.6079200818300042) to band 8 (0.6150518764785363), 1.1663055068565722% Gap from band 8 (0.63568078470799) to band 9 (0.6397097609337264), 0.6318027430114279% -total elapsed time for run: 84.8075647354126 +total elapsed time for run: 164.52966284751892 done -/tmp/meepREy4kN/test_hermitian_eps-0: 84.81s +/tmp/meepuUBjUW/test_hermitian_eps-0: 164.53s -/tmp/meepREy4kN/test_hole_slab-0 +/tmp/meepuUBjUW/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance @@ -46415,7 +46451,7 @@ Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> -elapsed time for initialization: 0.10626411437988281 +elapsed time for initialization: 0.2833409309387207 solve_kpoint (-0.333333,0.333333,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9 Solving for bands 1 to 9... @@ -46484,17 +46520,17 @@ iteration 31: trace = 2.187958069704355 (9.20265e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 -elapsed time for k point: 16.462647914886475 -total elapsed time for run: 16.569007396697998 +elapsed time for k point: 29.83303475379944 +total elapsed time for run: 30.116463899612427 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 -FOutputting fields to /tmp/meepREy4kN/test_hole_slab-0-h.k01.b09.z.zeven.h5... +FOutputting fields to /tmp/meepuUBjUW/test_hole_slab-0-h.k01.b09.z.zeven.h5... eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0 mean flops per iteration = 232048195.5483871 -mean time per iteration = 0.5344841095709032 s -/tmp/meepREy4kN/test_hole_slab-0: 16.60s +mean time per iteration = 0.9714988354713686 s +/tmp/meepuUBjUW/test_hole_slab-0: 30.15s -/tmp/meepREy4kN/test_honey_rods-0 +/tmp/meepuUBjUW/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -46539,7 +46575,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0015687942504882812 +elapsed time for initialization: 0.0015494823455810547 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -46625,7 +46661,7 @@ iteration 38: trace = 4.384870359114471 (2.59878e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 -elapsed time for k point: 0.10254549980163574 +elapsed time for k point: 0.18919968605041504 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46699,7 +46735,7 @@ iteration 34: trace = 4.363900038828961 (4.25985e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 -elapsed time for k point: 0.11079072952270508 +elapsed time for k point: 0.14244914054870605 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46738,7 +46774,7 @@ iteration 17: trace = 4.325994457593159 (2.54382e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 -elapsed time for k point: 0.05652260780334473 +elapsed time for k point: 0.05763697624206543 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -46775,7 +46811,7 @@ iteration 16: trace = 4.298080976434065 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 -elapsed time for k point: 0.053093671798706055 +elapsed time for k point: 0.05540108680725098 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46810,7 +46846,7 @@ iteration 15: trace = 4.286087121421341 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 -elapsed time for k point: 0.050023555755615234 +elapsed time for k point: 0.09911227226257324 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46841,7 +46877,7 @@ iteration 13: trace = 4.283886820302828 (6.59102e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 -elapsed time for k point: 0.0436711311340332 +elapsed time for k point: 0.046295166015625 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46870,7 +46906,7 @@ iteration 12: trace = 4.287889499871681 (9.82656e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 -elapsed time for k point: 0.04042696952819824 +elapsed time for k point: 0.04331326484680176 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46903,7 +46939,7 @@ iteration 14: trace = 4.29990477093923 (1.59463e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 -elapsed time for k point: 0.046959638595581055 +elapsed time for k point: 0.04948616027832031 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46936,7 +46972,7 @@ iteration 14: trace = 4.319879224622897 (9.3837e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 -elapsed time for k point: 0.046839237213134766 +elapsed time for k point: 0.04848337173461914 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -46973,7 +47009,7 @@ iteration 16: trace = 4.3474822862955 (4.94399e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 -elapsed time for k point: 0.05317497253417969 +elapsed time for k point: 0.055924415588378906 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47038,7 +47074,7 @@ iteration 28: trace = 4.381215657475532 (1.29946e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 -elapsed time for k point: 0.09117865562438965 +elapsed time for k point: 0.09776449203491211 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47073,7 +47109,7 @@ iteration 15: trace = 4.322737319376866 (1.86358e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 -elapsed time for k point: 0.050011396408081055 +elapsed time for k point: 0.05422258377075195 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47104,7 +47140,7 @@ iteration 13: trace = 4.300851491405948 (6.13341e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 -elapsed time for k point: 0.043636322021484375 +elapsed time for k point: 0.0454251766204834 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47135,7 +47171,7 @@ iteration 13: trace = 4.317112896788793 (5.01786e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 -elapsed time for k point: 0.043723344802856445 +elapsed time for k point: 0.04801154136657715 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47172,7 +47208,7 @@ iteration 16: trace = 4.358297516212385 (8.24739e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 -elapsed time for k point: 0.05331587791442871 +elapsed time for k point: 0.0561215877532959 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -47373,7 +47409,7 @@ iteration 93: trace = 4.384870359106214 (1.5455e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 -elapsed time for k point: 0.24817705154418945 +elapsed time for k point: 0.25578832626342773 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354986 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431465 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261712 at Vector3<0.0, 0.0, 0.0> @@ -47386,7 +47422,7 @@ Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431465), 28.919416524522983% Gap from band 5 (0.7793792212092521) to band 6 (0.78527869844185), 0.7540916335135398% Gap from band 7 (0.9122560439014186) to band 8 (1.0540350508135126), 14.420958045649781% -total elapsed time for run: 1.1368253231048584 +total elapsed time for run: 1.347700595855713 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -47430,7 +47466,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0015423297882080078 +elapsed time for initialization: 0.0015206336975097656 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -47632,7 +47668,7 @@ iteration 91: trace = 6.466405545431611 (3.66457e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 -elapsed time for k point: 0.2428891658782959 +elapsed time for k point: 0.30059242248535156 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -47737,7 +47773,7 @@ iteration 50: trace = 6.367909049127841 (9.15947e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 -elapsed time for k point: 0.1625533103942871 +elapsed time for k point: 0.19112825393676758 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -47794,7 +47830,7 @@ iteration 26: trace = 6.307408527722558 (7.92367e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 -elapsed time for k point: 0.08521628379821777 +elapsed time for k point: 0.19658160209655762 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47851,7 +47887,7 @@ iteration 26: trace = 6.281971560075127 (8.23994e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 -elapsed time for k point: 0.0849761962890625 +elapsed time for k point: 0.19997620582580566 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -47918,7 +47954,7 @@ iteration 31: trace = 6.28267176611981 (5.94035e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 -elapsed time for k point: 0.10099363327026367 +elapsed time for k point: 0.2413041591644287 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48001,7 +48037,7 @@ iteration 39: trace = 6.294405703268606 (7.7439e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 -elapsed time for k point: 0.1265108585357666 +elapsed time for k point: 0.29107666015625 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48066,7 +48102,7 @@ iteration 30: trace = 6.296467689265775 (7.747e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 -elapsed time for k point: 0.09802985191345215 +elapsed time for k point: 0.2375955581665039 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48137,7 +48173,7 @@ iteration 33: trace = 6.301845550822882 (4.11966e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 -elapsed time for k point: 0.10762548446655273 +elapsed time for k point: 0.25186848640441895 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48210,7 +48246,7 @@ iteration 34: trace = 6.309184046353368 (7.88202e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 -elapsed time for k point: 0.11069822311401367 +elapsed time for k point: 0.2547173500061035 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48285,7 +48321,7 @@ iteration 35: trace = 6.318322876593966 (6.69966e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 -elapsed time for k point: 0.11357593536376953 +elapsed time for k point: 0.2705559730529785 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -48442,7 +48478,7 @@ iteration 72: trace = 6.329316110445914 (8.92484e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 -elapsed time for k point: 0.23167753219604492 +elapsed time for k point: 0.5451347827911377 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48653,7 +48689,7 @@ iteration 101: trace = 6.298594861654125 (6.19607e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 -elapsed time for k point: 0.3243224620819092 +elapsed time for k point: 0.7698733806610107 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48708,7 +48744,7 @@ iteration 25: trace = 6.282608553113039 (8.71269e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 -elapsed time for k point: 0.08209943771362305 +elapsed time for k point: 0.19461274147033691 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48761,7 +48797,7 @@ iteration 24: trace = 6.296830790289759 (6.42208e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 -elapsed time for k point: 0.0786890983581543 +elapsed time for k point: 0.17734026908874512 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -48818,7 +48854,7 @@ iteration 26: trace = 6.356049883130346 (5.76557e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 -elapsed time for k point: 0.08529901504516602 +elapsed time for k point: 0.20423293113708496 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -48967,7 +49003,7 @@ iteration 67: trace = 6.466405545351025 (9.27131e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 -.elapsed time for k point: 0.1795516014099121 +.elapsed time for k point: 0.4116981029510498 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840947 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454924 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513126 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618369 at Vector3<0.0, 0.0, 0.0> @@ -48979,11 +49015,11 @@ Gap from band 3 (0.7880878930618369) to band 4 (0.8161730293674935), 3.501317761094284% Gap from band 5 (0.922084942589803) to band 6 (1.0168656683915518), 9.776497169649693% Gap from band 7 (1.159370227370717) to band 8 (1.1636719050364357), 0.37034865667815786% -total elapsed time for run: 2.217390298843384 +total elapsed time for run: 4.740970134735107 done -/tmp/meepREy4kN/test_honey_rods-0: 3.36s +/tmp/meepuUBjUW/test_honey_rods-0: 6.09s -/tmp/meepREy4kN/test_line_defect-0 +/tmp/meepuUBjUW/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance @@ -49030,7 +49066,7 @@ Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Vector3<0.5000000000000002, 1.7500000000000004, 0.0> -elapsed time for initialization: 0.012367010116577148 +elapsed time for initialization: 0.02384328842163086 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12 Solving for bands 2 to 7... @@ -49227,7 +49263,7 @@ Finished solving for bands 8 to 12 after 76 iterations. Finished k-point with 39.6667 mean iterations/band. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123 -elapsed time for k point: 2.037008047103882 +elapsed time for k point: 3.7715516090393066 Fixing e-field (band 1) phase by 1 + -0i; max ampl. = 0 Fixing e-field (band 2) phase by 0.934778 + -0.355231i; max ampl. = 0.36443 Fixing e-field (band 3) phase by 0.41377 + -0.910381i; max ampl. = 0.363694 @@ -49240,18 +49276,18 @@ Fixing e-field (band 10) phase by 0.833535 + -0.552467i; max ampl. = 0.514872 Fixing e-field (band 11) phase by 0.701379 + -0.712788i; max ampl. = 0.525048 Fixing e-field (band 12) phase by -0.711256 + 0.702933i; max ampl. = 0.596428 -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b01.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b02.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b03.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b04.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b05.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b06.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b07.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b08.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b09.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b10.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b11.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k01.b12.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b01.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b02.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b03.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b04.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b05.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b06.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b07.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b08.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b09.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b10.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b11.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k01.b12.z.tm.h5... solve_kpoint (0.1,0.35,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. @@ -49349,7 +49385,7 @@ Finished solving for bands 7 to 12 after 37 iterations. Finished k-point with 22.5 mean iterations/band. tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413 -elapsed time for k point: 1.3620507717132568 +elapsed time for k point: 2.593775749206543 Fixing e-field (band 1) phase by -1 + 2.71695e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.066234 + 0.997804i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08291e-07i; max ampl. = 0.357513 @@ -49362,18 +49398,18 @@ Fixing e-field (band 10) phase by 1 + 8.06478e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03316e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314817 + -1i; max ampl. = 0.377816 -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b01.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b02.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b03.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b04.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b05.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b06.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b07.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b08.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b09.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b10.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b11.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k02.b12.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b01.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b02.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b03.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b04.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b05.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b06.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b07.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b08.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b09.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b10.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b11.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. @@ -49463,7 +49499,7 @@ Finished solving for bands 7 to 12 after 32 iterations. Finished k-point with 20 mean iterations/band. tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423 -elapsed time for k point: 1.273317813873291 +elapsed time for k point: 2.2887988090515137 Fixing e-field (band 1) phase by 1 + -6.69684e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 1.41132e-11 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.03294e-14i; max ampl. = 0.3761 @@ -49476,18 +49512,18 @@ Fixing e-field (band 10) phase by -1 + 3.83354e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.75025e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.939e-06 + -1i; max ampl. = 0.473136 -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b01.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b02.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b03.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b04.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b05.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b06.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b07.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b08.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b09.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b10.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b11.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k03.b12.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b01.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b02.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b03.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b04.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b05.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b06.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b07.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b08.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b09.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b10.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b11.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k03.b12.z.tm.h5... solve_kpoint (0.3,1.05,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. @@ -49709,7 +49745,7 @@ Finished solving for bands 7 to 12 after 95 iterations. Finished k-point with 51.5 mean iterations/band. tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567 -elapsed time for k point: 3.179008722305298 +elapsed time for k point: 7.036309480667114 Fixing e-field (band 1) phase by 1 + -8.43945e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -7.36728e-12 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -1.0166e-15i; max ampl. = 0.420136 @@ -49722,18 +49758,18 @@ Fixing e-field (band 10) phase by 1 + -2.47558e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -9.51712e-12 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -7.63476e-11i; max ampl. = 0.423458 -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b01.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b02.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b03.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b04.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b05.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b06.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b07.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b08.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b09.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b10.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b11.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k04.b12.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b01.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b02.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b03.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b04.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b05.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b06.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b07.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b08.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b09.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b10.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b11.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. @@ -49895,7 +49931,7 @@ Finished solving for bands 7 to 12 after 67 iterations. Finished k-point with 38 mean iterations/band. tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447 -elapsed time for k point: 2.30314564704895 +elapsed time for k point: 5.1503825187683105 Fixing e-field (band 1) phase by 1 + -1.73164e-16i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -3.3667e-12 + -1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by 1 + 2.01153e-15i; max ampl. = 0.464954 @@ -49908,18 +49944,18 @@ Fixing e-field (band 10) phase by 1.98569e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + -3.00146e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by 1.05977e-13 + -1i; max ampl. = 0.443866 -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b01.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b02.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b03.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b04.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b05.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b06.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b07.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b08.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b09.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b10.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b11.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k05.b12.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b01.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b02.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b03.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b04.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b05.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b06.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b07.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b08.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b09.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b10.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b11.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k05.b12.z.tm.h5... solve_kpoint (0.5,1.75,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. @@ -49975,7 +50011,7 @@ Finished solving for bands 7 to 12 after 15 iterations. Finished k-point with 12 mean iterations/band. tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569 -elapsed time for k point: 0.712446928024292 +elapsed time for k point: 1.5541160106658936 Fixing e-field (band 1) phase by 1 + -2.00047e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.32784e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by 1 + -1.40064e-17i; max ampl. = 0.462198 @@ -49988,18 +50024,18 @@ Fixing e-field (band 10) phase by -5.29416e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + -1.64417e-14i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 3.04706e-13 + 1i; max ampl. = 0.465525 -..Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b01.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b02.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b03.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b04.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b05.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b06.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b07.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b08.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b09.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b10.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b11.z.tm.h5... -Outputting fields to /tmp/meepREy4kN/test_line_defect-0-e.k06.b12.z.tm.h5... +..Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b01.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b02.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b03.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b04.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b05.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b06.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b07.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b08.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b09.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b10.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b11.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2563501053544447 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542215 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278226 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616924004 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> @@ -50014,15 +50050,15 @@ Band 12 range: 0.4656904639721246 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661458 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.33733710311255866), 21.8745126527225% Gap from band 7 (0.442497664916943) to band 8 (0.4482627765538221), 1.2944247113983016% -total elapsed time for run: 11.106508731842041 +total elapsed time for run: 22.901437997817993 done -/tmp/meepREy4kN/test_line_defect-0: 11.11s +/tmp/meepuUBjUW/test_line_defect-0: 22.92s -/tmp/meepREy4kN/test_list_split-0 +/tmp/meepuUBjUW/test_list_split-0 ======================== -/tmp/meepREy4kN/test_list_split-0: 0.00s +/tmp/meepuUBjUW/test_list_split-0: 0.00s -/tmp/meepREy4kN/test_load_and_save_eigenvectors-0 +/tmp/meepuUBjUW/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -50065,7 +50101,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.001378774642944336 +elapsed time for initialization: 0.0013842582702636719 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -50176,7 +50212,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.13854646682739258 +elapsed time for k point: 0.3227365016937256 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50427,7 +50463,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.38701510429382324 +elapsed time for k point: 0.7610955238342285 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50484,7 +50520,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08516550064086914 +elapsed time for k point: 0.09539651870727539 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50537,7 +50573,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07859563827514648 +elapsed time for k point: 0.07918047904968262 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50598,7 +50634,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09092950820922852 +elapsed time for k point: 0.09550094604492188 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50691,7 +50727,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1416785717010498 +elapsed time for k point: 0.15509819984436035 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -50762,7 +50798,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10733532905578613 +elapsed time for k point: 0.10900044441223145 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50823,7 +50859,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09091782569885254 +elapsed time for k point: 0.1093289852142334 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50876,7 +50912,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.0784916877746582 +elapsed time for k point: 0.07924866676330566 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50928,7 +50964,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07512259483337402 +elapsed time for k point: 0.08115768432617188 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -50980,7 +51016,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07520580291748047 +elapsed time for k point: 0.07787251472473145 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51021,7 +51057,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.05935335159301758 +elapsed time for k point: 0.10171627998352051 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51068,7 +51104,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06915068626403809 +elapsed time for k point: 0.07131552696228027 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51131,7 +51167,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09500670433044434 +elapsed time for k point: 0.1885218620300293 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51204,7 +51240,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11126303672790527 +elapsed time for k point: 0.13377761840820312 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -51399,7 +51435,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24773001670837402 +elapsed time for k point: 0.26123547554016113 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -51411,7 +51447,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9340400695800781 +total elapsed time for run: 2.7246971130371094 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -51453,7 +51489,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0014221668243408203 +elapsed time for initialization: 0.0013747215270996094 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -51564,7 +51600,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1398935317993164 +elapsed time for k point: 0.14589738845825195 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -51815,7 +51851,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3904457092285156 +elapsed time for k point: 0.3921318054199219 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51872,7 +51908,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08611154556274414 +elapsed time for k point: 0.0870976448059082 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51925,7 +51961,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07909512519836426 +elapsed time for k point: 0.0802769660949707 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -51986,7 +52022,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.0919487476348877 +elapsed time for k point: 0.0953521728515625 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52079,7 +52115,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14281010627746582 +elapsed time for k point: 0.14391255378723145 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -52150,7 +52186,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10796666145324707 +elapsed time for k point: 0.11017227172851562 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52211,7 +52247,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09171557426452637 +elapsed time for k point: 0.09853410720825195 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52264,7 +52300,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07906675338745117 +elapsed time for k point: 0.0802617073059082 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52316,7 +52352,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0758206844329834 +elapsed time for k point: 0.08180499076843262 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52368,7 +52404,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07544684410095215 +elapsed time for k point: 0.07670044898986816 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52409,7 +52445,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.0599365234375 +elapsed time for k point: 0.06094932556152344 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52456,7 +52492,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06948089599609375 +elapsed time for k point: 0.07192373275756836 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52519,7 +52555,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09500765800476074 +elapsed time for k point: 0.12104153633117676 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -52592,7 +52628,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11142826080322266 +elapsed time for k point: 0.14847898483276367 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -52787,7 +52823,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.2468400001525879 +.elapsed time for k point: 0.25370097160339355 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -52799,11 +52835,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9455921649932861 +total elapsed time for run: 2.0507328510284424 done -/tmp/meepREy4kN/test_load_and_save_eigenvectors-0: 3.88s +/tmp/meepuUBjUW/test_load_and_save_eigenvectors-0: 4.78s -/tmp/meepREy4kN/test_maximize_first_tm_gap-0 +/tmp/meepuUBjUW/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -52846,7 +52882,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0009672641754150391 +elapsed time for initialization: 0.0009281635284423828 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... @@ -52885,7 +52921,7 @@ iteration 16: trace = 0.2090835261705098 (4.53204e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 -elapsed time for k point: 0.004388093948364258 +elapsed time for k point: 0.004349946975708008 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. @@ -52952,7 +52988,7 @@ iteration 30: trace = 0.201404650159914 (1.74605e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 -elapsed time for k point: 0.01603984832763672 +elapsed time for k point: 0.016118526458740234 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -52975,7 +53011,7 @@ iteration 9: trace = 0.1879007300173185 (4.32802e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 -elapsed time for k point: 0.005142688751220703 +elapsed time for k point: 0.005030393600463867 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -52998,7 +53034,7 @@ iteration 9: trace = 0.1768571842568802 (3.84498e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 -elapsed time for k point: 0.005079746246337891 +elapsed time for k point: 0.006285905838012695 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53019,7 +53055,7 @@ iteration 8: trace = 0.1701630436771221 (4.11041e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 -elapsed time for k point: 0.0045928955078125 +elapsed time for k point: 0.004555940628051758 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53040,7 +53076,7 @@ iteration 8: trace = 0.167954201774869 (3.77281e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 -elapsed time for k point: 0.004571437835693359 +elapsed time for k point: 0.004791259765625 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. @@ -53061,7 +53097,7 @@ iteration 8: trace = 0.1727422479677606 (9.39956e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 -elapsed time for k point: 0.00466465950012207 +elapsed time for k point: 0.004672527313232422 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53082,7 +53118,7 @@ iteration 8: trace = 0.1859937688378515 (2.15337e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 -elapsed time for k point: 0.004602670669555664 +elapsed time for k point: 0.004906892776489258 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53103,7 +53139,7 @@ iteration 8: trace = 0.2041420413289723 (7.57989e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 -elapsed time for k point: 0.004552125930786133 +elapsed time for k point: 0.00453639030456543 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53126,7 +53162,7 @@ iteration 9: trace = 0.2207583578967242 (6.03496e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 -elapsed time for k point: 0.005081892013549805 +elapsed time for k point: 0.00528264045715332 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53149,7 +53185,7 @@ iteration 9: trace = 0.2277122843842428 (1.05556e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 -elapsed time for k point: 0.005123138427734375 +elapsed time for k point: 0.005063295364379883 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53191,7 +53227,7 @@ iteration 17: trace = 0.2194624955004418 (3.56141e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 -elapsed time for k point: 0.009250164031982422 +elapsed time for k point: 0.009374856948852539 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53214,7 +53250,7 @@ iteration 9: trace = 0.2042021396245495 (5.31455e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 -elapsed time for k point: 0.005097150802612305 +elapsed time for k point: 0.0050487518310546875 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53237,7 +53273,7 @@ iteration 9: trace = 0.1959313854307188 (4.00897e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 -elapsed time for k point: 0.0050983428955078125 +elapsed time for k point: 0.005034208297729492 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. @@ -53262,7 +53298,7 @@ iteration 10: trace = 0.2007748484301817 (1.08105e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 -elapsed time for k point: 0.005632877349853516 +elapsed time for k point: 0.0055637359619140625 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. @@ -53291,11 +53327,11 @@ iteration 12: trace = 0.2090835122571488 (3.45147e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 -elapsed time for k point: 0.003274679183959961 +elapsed time for k point: 0.0034952163696289062 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992222 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.35120083530511803 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897039 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992222) to band 2 (0.35120083530511803), 34.044042557162825% -total elapsed time for run: 0.09386730194091797 +total elapsed time for run: 0.09585165977478027 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53337,7 +53373,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0012097358703613281 +elapsed time for initialization: 0.0012104511260986328 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... @@ -53378,7 +53414,7 @@ iteration 17: trace = 0.1326529296620271 (9.95329e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 -elapsed time for k point: 0.004603385925292969 +elapsed time for k point: 0.0046634674072265625 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -53438,7 +53474,7 @@ iteration 27: trace = 0.1274079622121569 (4.56827e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 -elapsed time for k point: 0.014455795288085938 +elapsed time for k point: 0.014561891555786133 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53461,7 +53497,7 @@ iteration 9: trace = 0.1169623869301465 (5.37255e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 -elapsed time for k point: 0.005099058151245117 +elapsed time for k point: 0.00529026985168457 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53484,7 +53520,7 @@ iteration 9: trace = 0.1074794489925547 (2.87938e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 -elapsed time for k point: 0.005133867263793945 +elapsed time for k point: 0.00516200065612793 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53505,7 +53541,7 @@ iteration 8: trace = 0.1013401281478577 (3.10586e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 -elapsed time for k point: 0.00458526611328125 +elapsed time for k point: 0.004769086837768555 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53526,7 +53562,7 @@ iteration 8: trace = 0.09924540234965068 (1.0907e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 -elapsed time for k point: 0.004602193832397461 +elapsed time for k point: 0.004529237747192383 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53547,7 +53583,7 @@ iteration 8: trace = 0.1023441112106414 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 -elapsed time for k point: 0.004568576812744141 +elapsed time for k point: 0.004530429840087891 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53568,7 +53604,7 @@ iteration 8: trace = 0.1111004875044771 (9.06861e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 -elapsed time for k point: 0.004571676254272461 +elapsed time for k point: 0.005673646926879883 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53589,7 +53625,7 @@ iteration 8: trace = 0.1236552584709829 (3.20752e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 -elapsed time for k point: 0.004536628723144531 +elapsed time for k point: 0.0045130252838134766 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -53612,7 +53648,7 @@ iteration 9: trace = 0.1360211172747791 (1.03659e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 -elapsed time for k point: 0.0050678253173828125 +elapsed time for k point: 0.005011320114135742 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53635,7 +53671,7 @@ iteration 9: trace = 0.1415827248187514 (3.31108e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 -elapsed time for k point: 0.005124807357788086 +elapsed time for k point: 0.0050389766693115234 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53685,7 +53721,7 @@ iteration 21: trace = 0.1366069801387 (1.8347e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 -elapsed time for k point: 0.011221885681152344 +elapsed time for k point: 0.012226104736328125 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53708,7 +53744,7 @@ iteration 9: trace = 0.1283044775563505 (4.18591e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 -elapsed time for k point: 0.0051271915435791016 +elapsed time for k point: 0.005120515823364258 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53731,7 +53767,7 @@ iteration 9: trace = 0.125065286647159 (9.16566e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 -elapsed time for k point: 0.0050809383392333984 +elapsed time for k point: 0.005042314529418945 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -53754,7 +53790,7 @@ iteration 9: trace = 0.1287431504622696 (9.99901e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 -elapsed time for k point: 0.005068540573120117 +elapsed time for k point: 0.005010128021240234 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. @@ -53785,11 +53821,11 @@ iteration 13: trace = 0.1326529452608119 (4.36045e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 -elapsed time for k point: 0.003546476364135742 +elapsed time for k point: 0.003545999526977539 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2186225691051753 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474916 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458684 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2186225691051753) to band 2 (0.25999614437474916), 17.288741164655384% -total elapsed time for run: 0.09433579444885254 +total elapsed time for run: 0.0966486930847168 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -53831,7 +53867,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0009036064147949219 +elapsed time for initialization: 0.0008914470672607422 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... @@ -53878,7 +53914,7 @@ iteration 20: trace = 0.2982519551490034 (5.17418e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 -elapsed time for k point: 0.005392789840698242 +elapsed time for k point: 0.005338430404663086 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53915,7 +53951,7 @@ iteration 16: trace = 0.2795911378478668 (6.13898e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 -elapsed time for k point: 0.00876164436340332 +elapsed time for k point: 0.008642911911010742 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53940,7 +53976,7 @@ iteration 10: trace = 0.2611842409470008 (6.08704e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 -elapsed time for k point: 0.005620241165161133 +elapsed time for k point: 0.0055119991302490234 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -53963,7 +53999,7 @@ iteration 9: trace = 0.2490993774400128 (1.37943e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 -elapsed time for k point: 0.005136013031005859 +elapsed time for k point: 0.005179643630981445 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -53984,7 +54020,7 @@ iteration 8: trace = 0.242445714489984 (6.61589e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 -elapsed time for k point: 0.004572868347167969 +elapsed time for k point: 0.004518270492553711 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54005,7 +54041,7 @@ iteration 8: trace = 0.2403442724329466 (2.88129e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 -elapsed time for k point: 0.004561662673950195 +elapsed time for k point: 0.004502058029174805 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54026,7 +54062,7 @@ iteration 8: trace = 0.2478135698278218 (2.76645e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 -elapsed time for k point: 0.004579067230224609 +elapsed time for k point: 0.0045092105865478516 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54047,7 +54083,7 @@ iteration 8: trace = 0.2687921840070467 (1.52412e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 -elapsed time for k point: 0.004629373550415039 +elapsed time for k point: 0.00453495979309082 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54068,7 +54104,7 @@ iteration 8: trace = 0.2984106619036122 (7.56926e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 -elapsed time for k point: 0.00455927848815918 +elapsed time for k point: 0.004506349563598633 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54091,7 +54127,7 @@ iteration 9: trace = 0.3267691033102509 (4.51878e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 -elapsed time for k point: 0.0051043033599853516 +elapsed time for k point: 0.005032539367675781 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54114,7 +54150,7 @@ iteration 9: trace = 0.3391341088633691 (2.85958e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 -elapsed time for k point: 0.005089759826660156 +elapsed time for k point: 0.005043983459472656 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54153,7 +54189,7 @@ iteration 17: trace = 0.3215197827688706 (6.92336e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 -elapsed time for k point: 0.009225606918334961 +elapsed time for k point: 0.009060382843017578 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54176,7 +54212,7 @@ iteration 9: trace = 0.2901214013723648 (2.07219e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 -elapsed time for k point: 0.005106687545776367 +elapsed time for k point: 0.006026268005371094 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54201,7 +54237,7 @@ iteration 10: trace = 0.2708607258851711 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 -elapsed time for k point: 0.005654335021972656 +elapsed time for k point: 0.005572319030761719 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. @@ -54228,7 +54264,7 @@ iteration 11: trace = 0.2750943676881146 (3.63221e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 -elapsed time for k point: 0.006120920181274414 +elapsed time for k point: 0.014189958572387695 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. @@ -54265,11 +54301,11 @@ iteration 16: trace = 0.2982519551492224 (9.14974e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 -elapsed time for k point: 0.004311084747314453 +elapsed time for k point: 0.008444547653198242 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856945 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943924 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610293 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856945) to band 2 (0.42411505161943924), 39.1000855456212% -total elapsed time for run: 0.0900275707244873 +total elapsed time for run: 0.10220575332641602 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance @@ -54311,7 +54347,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0009088516235351562 +elapsed time for initialization: 0.0009212493896484375 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... @@ -54346,7 +54382,7 @@ iteration 14: trace = 0.3025956959406486 (2.03262e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 -elapsed time for k point: 0.0038537979125976562 +elapsed time for k point: 0.011965036392211914 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54371,7 +54407,7 @@ iteration 10: trace = 0.3009297177018309 (7.18493e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 -elapsed time for k point: 0.005670070648193359 +elapsed time for k point: 0.01374506950378418 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54396,7 +54432,7 @@ iteration 10: trace = 0.2969598361818409 (3.30121e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 -elapsed time for k point: 0.00560450553894043 +elapsed time for k point: 0.009706258773803711 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. @@ -54421,7 +54457,7 @@ iteration 10: trace = 0.2926449175807007 (3.41438e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 -elapsed time for k point: 0.005624532699584961 +elapsed time for k point: 0.013710260391235352 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54444,7 +54480,7 @@ iteration 9: trace = 0.2895143959121311 (5.67547e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 -elapsed time for k point: 0.0051116943359375 +elapsed time for k point: 0.013201475143432617 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54465,7 +54501,7 @@ iteration 8: trace = 0.2883886767737718 (2.70252e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 -elapsed time for k point: 0.004580020904541016 +elapsed time for k point: 0.012670040130615234 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54486,7 +54522,7 @@ iteration 8: trace = 0.2982086196943483 (6.44075e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 -elapsed time for k point: 0.004553794860839844 +elapsed time for k point: 0.004538536071777344 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54507,7 +54543,7 @@ iteration 8: trace = 0.3264979228223415 (2.75092e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 -elapsed time for k point: 0.004549264907836914 +elapsed time for k point: 0.01265096664428711 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54528,7 +54564,7 @@ iteration 8: trace = 0.3690664173180317 (8.32066e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 -elapsed time for k point: 0.004576206207275391 +elapsed time for k point: 0.008687257766723633 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. @@ -54553,7 +54589,7 @@ iteration 10: trace = 0.4155447999210046 (6.19841e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 -elapsed time for k point: 0.00558924674987793 +elapsed time for k point: 0.013699769973754883 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54578,7 +54614,7 @@ iteration 10: trace = 0.4398182199057518 (3.14904e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 -elapsed time for k point: 0.0056018829345703125 +elapsed time for k point: 0.013698577880859375 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54617,7 +54653,7 @@ iteration 17: trace = 0.4024754384446911 (9.03404e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 -elapsed time for k point: 0.009183883666992188 +elapsed time for k point: 0.021364450454711914 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54640,7 +54676,7 @@ iteration 9: trace = 0.3476919187043958 (5.95198e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 -elapsed time for k point: 0.005106687545776367 +elapsed time for k point: 0.013203620910644531 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. @@ -54665,7 +54701,7 @@ iteration 10: trace = 0.312470185923318 (7.10611e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 -elapsed time for k point: 0.005610942840576172 +elapsed time for k point: 0.009680509567260742 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. @@ -54690,7 +54726,7 @@ iteration 10: trace = 0.3014386377955977 (5.15631e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 -elapsed time for k point: 0.005621194839477539 +elapsed time for k point: 0.013715267181396484 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. @@ -54719,15 +54755,15 @@ iteration 12: trace = 0.3025956959406537 (2.06198e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 -.elapsed time for k point: 0.003311634063720703 +.elapsed time for k point: 0.011398553848266602 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232155 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4615121898996919 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819286 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232155) to band 2 (0.4615121898996919), 36.990024869608185% -total elapsed time for run: 0.08574295043945312 +total elapsed time for run: 0.19947147369384766 done -/tmp/meepREy4kN/test_maximize_first_tm_gap-0: 0.37s +/tmp/meepuUBjUW/test_maximize_first_tm_gap-0: 0.50s -/tmp/meepREy4kN/test_multiply_bloch_in_mpb_data-0 +/tmp/meepuUBjUW/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -54770,7 +54806,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013778209686279297 +elapsed time for initialization: 0.001338958740234375 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -54881,7 +54917,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1393742561340332 +elapsed time for k point: 0.3240694999694824 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55132,7 +55168,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3896167278289795 +elapsed time for k point: 0.913104772567749 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55189,7 +55225,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08591747283935547 +elapsed time for k point: 0.19615745544433594 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55242,7 +55278,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07929396629333496 +elapsed time for k point: 0.18488764762878418 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55303,7 +55339,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09178447723388672 +elapsed time for k point: 0.12141656875610352 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55396,7 +55432,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14262056350708008 +elapsed time for k point: 0.1437206268310547 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -55467,7 +55503,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.1080925464630127 +elapsed time for k point: 0.11137628555297852 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55528,7 +55564,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09473538398742676 +elapsed time for k point: 0.09296488761901855 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55581,7 +55617,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07926440238952637 +elapsed time for k point: 0.08104062080383301 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55633,7 +55669,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07576584815979004 +elapsed time for k point: 0.0773618221282959 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55685,7 +55721,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.0754857063293457 +elapsed time for k point: 0.07737421989440918 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55726,7 +55762,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.059627532958984375 +elapsed time for k point: 0.061409950256347656 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55773,7 +55809,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06944680213928223 +elapsed time for k point: 0.07114863395690918 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55836,7 +55872,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09492015838623047 +elapsed time for k point: 0.09657883644104004 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -55909,7 +55945,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11174464225769043 +elapsed time for k point: 0.11348247528076172 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -56104,7 +56140,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24740886688232422 +elapsed time for k point: 0.2550060749053955 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -56116,7 +56152,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9476585388183594 +total elapsed time for run: 2.9235994815826416 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -56165,7 +56201,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0014636516571044922 +elapsed time for initialization: 0.0014202594757080078 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -56276,7 +56312,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.13923239707946777 +elapsed time for k point: 0.26011013984680176 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56527,7 +56563,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3908255100250244 +elapsed time for k point: 0.9164159297943115 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56584,7 +56620,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08597230911254883 +elapsed time for k point: 0.19614315032958984 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56637,7 +56673,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07890152931213379 +elapsed time for k point: 0.18493413925170898 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56698,7 +56734,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09154534339904785 +elapsed time for k point: 0.2100837230682373 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56791,7 +56827,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1425032615661621 +elapsed time for k point: 0.32992982864379883 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -56862,7 +56898,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10783839225769043 +elapsed time for k point: 0.25017666816711426 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56923,7 +56959,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09169459342956543 +elapsed time for k point: 0.2102370262145996 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -56976,7 +57012,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07919168472290039 +elapsed time for k point: 0.18495440483093262 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57028,7 +57064,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07575821876525879 +elapsed time for k point: 0.1772308349609375 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57080,7 +57116,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07545185089111328 +elapsed time for k point: 0.17365193367004395 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57121,7 +57157,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.059725046157836914 +elapsed time for k point: 0.13733458518981934 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57168,7 +57204,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06934523582458496 +elapsed time for k point: 0.16323328018188477 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57231,7 +57267,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09473252296447754 +elapsed time for k point: 0.21708369255065918 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57304,7 +57340,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11092567443847656 +elapsed time for k point: 0.261566162109375 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -57499,7 +57535,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.247023344039917 +elapsed time for k point: 0.5744922161102295 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -57511,7 +57547,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.943263053894043 +total elapsed time for run: 4.450175762176514 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 @@ -57520,9 +57556,9 @@ imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 -./tmp/meepREy4kN/test_multiply_bloch_in_mpb_data-0: 3.94s +./tmp/meepuUBjUW/test_multiply_bloch_in_mpb_data-0: 7.46s -/tmp/meepREy4kN/test_multiply_bloch_phase-0 +/tmp/meepuUBjUW/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -57565,7 +57601,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013744831085205078 +elapsed time for initialization: 0.0013430118560791016 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -57676,7 +57712,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.13878440856933594 +elapsed time for k point: 0.3236110210418701 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -57927,7 +57963,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3882482051849365 +elapsed time for k point: 0.9097654819488525 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -57984,7 +58020,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08576178550720215 +elapsed time for k point: 0.19581818580627441 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58037,7 +58073,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07879185676574707 +elapsed time for k point: 0.18513131141662598 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58098,7 +58134,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09139347076416016 +elapsed time for k point: 0.2099297046661377 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58191,7 +58227,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14198803901672363 +elapsed time for k point: 0.3308703899383545 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -58262,7 +58298,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10717082023620605 +elapsed time for k point: 0.25168275833129883 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58323,7 +58359,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09085631370544434 +elapsed time for k point: 0.2184441089630127 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58376,7 +58412,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07846999168395996 +elapsed time for k point: 0.18198442459106445 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58428,7 +58464,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07490992546081543 +elapsed time for k point: 0.18161535263061523 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58480,7 +58516,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07484006881713867 +elapsed time for k point: 0.17319536209106445 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58521,7 +58557,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.05922222137451172 +elapsed time for k point: 0.1372230052947998 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58568,7 +58604,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06887102127075195 +elapsed time for k point: 0.15938925743103027 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58631,7 +58667,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09435367584228516 +elapsed time for k point: 0.21693730354309082 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -58704,7 +58740,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11023569107055664 +elapsed time for k point: 0.2621896266937256 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -58899,7 +58935,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24509119987487793 +elapsed time for k point: 0.5792059898376465 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -58911,12 +58947,12 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9314851760864258 +total elapsed time for run: 4.519505739212036 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 -./tmp/meepREy4kN/test_multiply_bloch_phase-0: 1.93s +./tmp/meepuUBjUW/test_multiply_bloch_phase-0: 4.52s -/tmp/meepREy4kN/test_output_charge_density-0 +/tmp/meepuUBjUW/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -58959,7 +58995,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013506412506103516 +elapsed time for initialization: 0.009509086608886719 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -59070,7 +59106,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1383194923400879 +elapsed time for k point: 0.31980466842651367 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59321,7 +59357,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3858802318572998 +elapsed time for k point: 0.9127316474914551 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59378,7 +59414,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08539462089538574 +elapsed time for k point: 0.1961517333984375 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59431,7 +59467,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07834172248840332 +elapsed time for k point: 0.18532800674438477 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59492,7 +59528,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09104180335998535 +elapsed time for k point: 0.20975542068481445 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59585,7 +59621,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14194560050964355 +elapsed time for k point: 0.33394551277160645 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -59656,7 +59692,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10699176788330078 +elapsed time for k point: 0.24594902992248535 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59717,7 +59753,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09107112884521484 +elapsed time for k point: 0.2096245288848877 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59770,7 +59806,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07854866981506348 +elapsed time for k point: 0.18461179733276367 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59822,7 +59858,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07511258125305176 +elapsed time for k point: 0.17764639854431152 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59874,7 +59910,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07503151893615723 +elapsed time for k point: 0.176788330078125 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59915,7 +59951,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.059313058853149414 +elapsed time for k point: 0.13309717178344727 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -59962,7 +59998,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06890726089477539 +elapsed time for k point: 0.16304707527160645 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60025,7 +60061,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09396243095397949 +elapsed time for k point: 0.22080397605895996 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -60098,7 +60134,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11045074462890625 +elapsed time for k point: 0.25720953941345215 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -60293,7 +60329,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2451798915863037 +elapsed time for k point: 0.5700221061706543 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -60305,13 +60341,13 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.928027868270874 +total elapsed time for run: 4.507201671600342 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 -.Outputting complex scalar field to /tmp/meepREy4kN/test_output_charge_density-0-C.k16.b08.te.h5... -/tmp/meepREy4kN/test_output_charge_density-0: 1.93s +.Outputting complex scalar field to /tmp/meepuUBjUW/test_output_charge_density-0-C.k16.b08.te.h5... +/tmp/meepuUBjUW/test_output_charge_density-0: 4.52s -/tmp/meepREy4kN/test_output_dpwr_in_objects-0 +/tmp/meepuUBjUW/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -60354,7 +60390,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013875961303710938 +elapsed time for initialization: 0.0013887882232666016 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -60465,12 +60501,12 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.13723134994506836 +elapsed time for k point: 0.32374095916748047 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102546, 0.8567435000049364 -Outputting fields to /tmp/meepREy4kN/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... +Outputting fields to /tmp/meepuUBjUW/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069426, 0.5288260557983413 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 @@ -60733,7 +60769,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.388446569442749 +elapsed time for k point: 0.9058427810668945 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272505, 0.04603176933548133 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 @@ -60806,7 +60842,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08559608459472656 +elapsed time for k point: 0.20392346382141113 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.17869200446402672, 0.05442207264059689 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 @@ -60875,7 +60911,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07864093780517578 +elapsed time for k point: 0.1850757598876953 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.26579760671574704, 0.07189021129298956 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 @@ -60952,7 +60988,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.0912008285522461 +elapsed time for k point: 0.21778202056884766 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452583, 0.10384524472299073 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 @@ -61061,7 +61097,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14177250862121582 +elapsed time for k point: 0.32985520362854004 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654536, 0.08603996686495279 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 @@ -61148,7 +61184,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10741281509399414 +elapsed time for k point: 0.24211454391479492 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.4237414613237853, 0.08405292712306052 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 @@ -61225,7 +61261,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09128355979919434 +elapsed time for k point: 0.20987868309020996 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.4547812725154716, 0.08020083733746218 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 @@ -61294,7 +61330,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07882261276245117 +elapsed time for k point: 0.1847541332244873 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.47376659593612236, 0.5125827722134951 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 @@ -61362,7 +61398,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07515931129455566 +elapsed time for k point: 0.17324256896972656 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371615308 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 @@ -61430,7 +61466,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.0750892162322998 +elapsed time for k point: 0.17291808128356934 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.4968358647448986, 0.6986360262353926 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 @@ -61487,7 +61523,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.05944967269897461 +elapsed time for k point: 0.13279008865356445 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434172, 0.41845731017621085 D-energy-components:, 12, 2, 0.5, 0.5, 0 @@ -61550,7 +61586,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06907773017883301 +elapsed time for k point: 0.1595919132232666 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290166, 0.1223740833813474 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 @@ -61629,7 +61665,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09426546096801758 +elapsed time for k point: 0.22094297409057617 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988460781 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 @@ -61718,7 +61754,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11058282852172852 +elapsed time for k point: 0.2621278762817383 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469342, 0.047952797703298834 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 @@ -61929,12 +61965,12 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24359416961669922 +elapsed time for k point: 0.5786910057067871 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101995, 0.8567434642230597 -Outputting fields to /tmp/meepREy4kN/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... +Outputting fields to /tmp/meepuUBjUW/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069766, 0.528826082855366 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 @@ -61958,11 +61994,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9793200492858887 +total elapsed time for run: 4.620671510696411 done -/tmp/meepREy4kN/test_output_dpwr_in_objects-0: 1.98s +/tmp/meepuUBjUW/test_output_dpwr_in_objects-0: 4.62s -/tmp/meepREy4kN/test_output_efield_z-0 +/tmp/meepuUBjUW/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62005,7 +62041,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013885498046875 +elapsed time for initialization: 0.005426883697509766 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -62141,7 +62177,7 @@ iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.16170811653137207 +elapsed time for k point: 0.3798835277557373 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62192,7 +62228,7 @@ iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 -elapsed time for k point: 0.07569432258605957 +elapsed time for k point: 0.17344427108764648 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -62223,7 +62259,7 @@ iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 -elapsed time for k point: 0.043633222579956055 +elapsed time for k point: 0.10061430931091309 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62254,7 +62290,7 @@ iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 -elapsed time for k point: 0.043720245361328125 +elapsed time for k point: 0.10091423988342285 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62285,7 +62321,7 @@ iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 -elapsed time for k point: 0.04367947578430176 +elapsed time for k point: 0.10495638847351074 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62316,7 +62352,7 @@ iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 -elapsed time for k point: 0.04366803169250488 +elapsed time for k point: 0.10103297233581543 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62345,7 +62381,7 @@ iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 -elapsed time for k point: 0.04051089286804199 +elapsed time for k point: 0.08961987495422363 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62372,7 +62408,7 @@ iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 -elapsed time for k point: 0.03722977638244629 +elapsed time for k point: 0.0942080020904541 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62401,7 +62437,7 @@ iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 -elapsed time for k point: 0.04039168357849121 +elapsed time for k point: 0.0895695686340332 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62434,7 +62470,7 @@ iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 -elapsed time for k point: 0.04667854309082031 +elapsed time for k point: 0.1081855297088623 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62469,7 +62505,7 @@ iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 -elapsed time for k point: 0.04999399185180664 +elapsed time for k point: 0.1157228946685791 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62506,7 +62542,7 @@ iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 -elapsed time for k point: 0.05328011512756348 +elapsed time for k point: 0.1310102939605713 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62535,7 +62571,7 @@ iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 -elapsed time for k point: 0.04041552543640137 +elapsed time for k point: 0.09374856948852539 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -62564,7 +62600,7 @@ iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 -elapsed time for k point: 0.04028892517089844 +elapsed time for k point: 0.09370541572570801 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -62597,7 +62633,7 @@ iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 -elapsed time for k point: 0.04682207107543945 +elapsed time for k point: 0.10840034484863281 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -62729,7 +62765,7 @@ iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.15649032592773438 +elapsed time for k point: 0.37009739875793457 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> @@ -62740,13 +62776,13 @@ Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% -total elapsed time for run: 0.9666898250579834 +total elapsed time for run: 2.261711835861206 done Fixing e-field (band 8) phase by 2.441e-08 + -1i; max ampl. = 1.49941 -FOutputting fields to /tmp/meepREy4kN/test_output_efield_z-0-e.k16.b08.z.tm.h5... -/tmp/meepREy4kN/test_output_efield_z-0: 0.97s +FOutputting fields to /tmp/meepuUBjUW/test_output_efield_z-0-e.k16.b08.z.tm.h5... +/tmp/meepuUBjUW/test_output_efield_z-0: 2.27s -/tmp/meepREy4kN/test_output_field_to_file-0 +/tmp/meepuUBjUW/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -62789,7 +62825,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013837814331054688 +elapsed time for initialization: 0.001363992691040039 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -62900,7 +62936,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.14106345176696777 +elapsed time for k point: 0.32130956649780273 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63151,7 +63187,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3931407928466797 +elapsed time for k point: 0.896193265914917 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63208,7 +63244,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08719968795776367 +elapsed time for k point: 0.20318889617919922 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63261,7 +63297,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07880949974060059 +elapsed time for k point: 0.18032455444335938 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63322,7 +63358,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09128355979919434 +elapsed time for k point: 0.20909619331359863 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63415,7 +63451,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14223504066467285 +elapsed time for k point: 0.3287925720214844 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -63486,7 +63522,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10734820365905762 +elapsed time for k point: 0.24548125267028809 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63547,7 +63583,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09135270118713379 +elapsed time for k point: 0.21275091171264648 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63600,7 +63636,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07882094383239746 +elapsed time for k point: 0.18042922019958496 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63652,7 +63688,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07522010803222656 +elapsed time for k point: 0.17307758331298828 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63704,7 +63740,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07527327537536621 +elapsed time for k point: 0.17264628410339355 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63745,7 +63781,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.059449195861816406 +elapsed time for k point: 0.1449134349822998 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63792,7 +63828,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06902146339416504 +elapsed time for k point: 0.1547987461090088 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63855,7 +63891,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09428715705871582 +elapsed time for k point: 0.22483015060424805 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -63928,7 +63964,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11052584648132324 +elapsed time for k point: 0.2488412857055664 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -64123,7 +64159,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24754571914672852 +elapsed time for k point: 0.5661966800689697 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -64135,13 +64171,13 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.945117712020874 +total elapsed time for run: 4.465399265289307 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepREy4kN/test_output_field_to_file-0-epsilon.h5... -/tmp/meepREy4kN/test_output_field_to_file-0: 1.96s +.Outputting /tmp/meepuUBjUW/test_output_field_to_file-0-epsilon.h5... +/tmp/meepuUBjUW/test_output_field_to_file-0: 4.49s -/tmp/meepREy4kN/test_output_tot_pwr-0 +/tmp/meepuUBjUW/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -64184,7 +64220,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013704299926757812 +elapsed time for initialization: 0.005502223968505859 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -64295,7 +64331,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.13988685607910156 +elapsed time for k point: 0.32121729850769043 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64546,7 +64582,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3880741596221924 +elapsed time for k point: 0.898043155670166 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64603,7 +64639,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.0857234001159668 +elapsed time for k point: 0.19939351081848145 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64656,7 +64692,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07868814468383789 +elapsed time for k point: 0.1845264434814453 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64717,7 +64753,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09131908416748047 +elapsed time for k point: 0.20909500122070312 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64810,7 +64846,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.142045259475708 +elapsed time for k point: 0.3287670612335205 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -64881,7 +64917,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10768914222717285 +elapsed time for k point: 0.24959468841552734 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64942,7 +64978,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09148859977722168 +elapsed time for k point: 0.20997262001037598 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -64995,7 +65031,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.0786581039428711 +elapsed time for k point: 0.18061089515686035 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65047,7 +65083,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07541465759277344 +elapsed time for k point: 0.17275571823120117 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65099,7 +65135,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07566547393798828 +elapsed time for k point: 0.18125271797180176 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65140,7 +65176,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.05977034568786621 +elapsed time for k point: 0.13684391975402832 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65187,7 +65223,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06919503211975098 +elapsed time for k point: 0.1582014560699463 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65250,7 +65286,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09443473815917969 +elapsed time for k point: 0.22072958946228027 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -65323,7 +65359,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11079955101013184 +elapsed time for k point: 0.2533748149871826 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -65518,7 +65554,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24732756614685059 +elapsed time for k point: 0.571843147277832 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -65530,16 +65566,16 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.938671350479126 +total elapsed time for run: 4.482920169830322 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 -Outputting /tmp/meepREy4kN/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... +Outputting /tmp/meepuUBjUW/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 -./tmp/meepREy4kN/test_output_tot_pwr-0: 1.94s +./tmp/meepuUBjUW/test_output_tot_pwr-0: 4.49s -/tmp/meepREy4kN/test_point_defect_state-0 +/tmp/meepuUBjUW/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance @@ -65617,7 +65653,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.030200481414794922 +elapsed time for initialization: 0.061944007873535156 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50 Solving for bands 1 to 10... @@ -66456,11 +66492,11 @@ Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 80 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 -elapsed time for k point: 31.9497811794281 -total elapsed time for run: 31.98018479347229 +elapsed time for k point: 60.69490575790405 +total elapsed time for run: 60.75704598426819 done Fixing e-field (band 25) phase by -0.24413 + -0.969743i; max ampl. = 0.816569 -Outputting fields to /tmp/meepREy4kN/test_point_defect_state-0-e.k01.b25.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + 2.70339e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data @@ -66540,7 +66576,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006834745407104492 +elapsed time for initialization: 0.014642715454101562 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -66914,8 +66950,8 @@ iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 -elapsed time for k point: 0.6861393451690674 -total elapsed time for run: 0.6930677890777588 +elapsed time for k point: 1.5901637077331543 +total elapsed time for run: 1.6048951148986816 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -66995,7 +67031,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0064203739166259766 +elapsed time for initialization: 0.018548011779785156 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67369,8 +67405,8 @@ iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 -elapsed time for k point: 0.6860909461975098 -total elapsed time for run: 0.6925852298736572 +elapsed time for k point: 1.617011547088623 +total elapsed time for run: 1.6356279850006104 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67450,7 +67486,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.00647735595703125 +elapsed time for initialization: 0.018599748611450195 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -67895,8 +67931,8 @@ iteration 187: trace = 0.001795102514608244 (4.93546e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 -elapsed time for k point: 0.8053989410400391 -total elapsed time for run: 0.8119461536407471 +elapsed time for k point: 1.8618152141571045 +total elapsed time for run: 1.8804855346679688 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -67976,7 +68012,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006507396697998047 +elapsed time for initialization: 0.018586158752441406 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68309,8 +68345,8 @@ iteration 144: trace = 0.0009724596426331552 (7.79286e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 -elapsed time for k point: 0.6207678318023682 -total elapsed time for run: 0.6273446083068848 +elapsed time for k point: 1.470780372619629 +total elapsed time for run: 1.489433765411377 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68390,7 +68426,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0064849853515625 +elapsed time for initialization: 0.014524698257446289 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -68691,8 +68727,8 @@ iteration 130: trace = 0.0004433872992476595 (9.26877e-07% change) Finished solving for bands 1 to 1 after 130 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732 -elapsed time for k point: 0.5623307228088379 -total elapsed time for run: 0.5688831806182861 +elapsed time for k point: 1.2946991920471191 +total elapsed time for run: 1.3092930316925049 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -68772,7 +68808,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006488800048828125 +elapsed time for initialization: 0.01454305648803711 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69107,8 +69143,8 @@ iteration 142: trace = 0.0007053630328314389 (5.34148e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 -elapsed time for k point: 0.6152911186218262 -total elapsed time for run: 0.6218488216400146 +elapsed time for k point: 1.453505039215088 +total elapsed time for run: 1.4681177139282227 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69188,7 +69224,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006472349166870117 +elapsed time for initialization: 0.018617868423461914 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69513,8 +69549,8 @@ iteration 139: trace = 0.0005431761082614662 (6.45213e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 -elapsed time for k point: 0.6013545989990234 -total elapsed time for run: 0.607893705368042 +elapsed time for k point: 1.4098320007324219 +total elapsed time for run: 1.4285199642181396 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69594,7 +69630,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0064814090728759766 +elapsed time for initialization: 0.01862645149230957 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -69918,8 +69954,8 @@ iteration 138: trace = 0.0006236677264374833 (9.3341e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 -elapsed time for k point: 0.5990054607391357 -total elapsed time for run: 0.6055564880371094 +elapsed time for k point: 1.3774359226226807 +total elapsed time for run: 1.3961317539215088 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -69999,7 +70035,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006464242935180664 +elapsed time for initialization: 0.014537572860717773 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70323,8 +70359,8 @@ iteration 139: trace = 0.0005435712197209179 (7.00716e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 0.602771520614624 -total elapsed time for run: 0.6093053817749023 +elapsed time for k point: 1.5774784088134766 +total elapsed time for run: 1.59208345413208 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70404,7 +70440,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.00644373893737793 +elapsed time for initialization: 0.014566183090209961 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -70722,8 +70758,8 @@ iteration 136: trace = 0.00058342219538993 (7.83825e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 -elapsed time for k point: 0.5910041332244873 -total elapsed time for run: 0.5975174903869629 +elapsed time for k point: 2.196497917175293 +total elapsed time for run: 2.2111339569091797 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -70803,7 +70839,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006486654281616211 +elapsed time for initialization: 0.018603086471557617 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71127,8 +71163,8 @@ iteration 139: trace = 0.000543571492165385 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 0.6036067008972168 -total elapsed time for run: 0.6101598739624023 +elapsed time for k point: 2.0586938858032227 +total elapsed time for run: 2.089421033859253 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71208,7 +71244,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006476163864135742 +elapsed time for initialization: 0.01456594467163086 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71542,8 +71578,8 @@ iteration 145: trace = 0.0005634408794977984 (4.83408e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 -elapsed time for k point: 0.6301355361938477 -total elapsed time for run: 0.6366817951202393 +elapsed time for k point: 1.8104591369628906 +total elapsed time for run: 1.825096845626831 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -71623,7 +71659,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006475210189819336 +elapsed time for initialization: 0.014561891555786133 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -71947,8 +71983,8 @@ iteration 139: trace = 0.0005435714922125603 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 0.6024653911590576 -total elapsed time for run: 0.6090197563171387 +elapsed time for k point: 1.5862929821014404 +total elapsed time for run: 1.6009278297424316 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72028,7 +72064,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006507158279418945 +elapsed time for initialization: 0.026621341705322266 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72351,8 +72387,8 @@ iteration 138: trace = 0.0005534916950358864 (8.96799e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 -elapsed time for k point: 0.5951313972473145 -total elapsed time for run: 0.6017088890075684 +elapsed time for k point: 1.8358609676361084 +total elapsed time for run: 1.8625519275665283 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72432,7 +72468,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.006510734558105469 +elapsed time for initialization: 0.018556594848632812 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -72756,8 +72792,8 @@ iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -elapsed time for k point: 0.5992178916931152 -total elapsed time for run: 0.6057991981506348 +elapsed time for k point: 2.0498440265655518 +total elapsed time for run: 2.0684733390808105 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance @@ -72837,7 +72873,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> -elapsed time for initialization: 0.0065114498138427734 +elapsed time for initialization: 0.01863408088684082 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... @@ -73161,12 +73197,12 @@ iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 -.elapsed time for k point: 0.5975179672241211 -total elapsed time for run: 0.6040999889373779 +.elapsed time for k point: 1.9594032764434814 +total elapsed time for run: 1.9781098365783691 done -/tmp/meepREy4kN/test_point_defect_state-0: 42.10s +/tmp/meepuUBjUW/test_point_defect_state-0: 88.24s -/tmp/meepREy4kN/test_poynting-0 +/tmp/meepuUBjUW/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -73209,7 +73245,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013568401336669922 +elapsed time for initialization: 0.0013763904571533203 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -73320,7 +73356,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.13907098770141602 +elapsed time for k point: 0.37281036376953125 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73571,7 +73607,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.385833740234375 +elapsed time for k point: 1.066206932067871 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73628,7 +73664,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08530020713806152 +elapsed time for k point: 0.21773958206176758 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73681,7 +73717,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07854747772216797 +elapsed time for k point: 0.294741153717041 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73742,7 +73778,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09109807014465332 +elapsed time for k point: 0.33981800079345703 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73835,7 +73871,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14189982414245605 +elapsed time for k point: 0.42510414123535156 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -73906,7 +73942,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10740542411804199 +elapsed time for k point: 0.37474966049194336 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -73967,7 +74003,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09101581573486328 +elapsed time for k point: 0.2636885643005371 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74020,7 +74056,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.0782933235168457 +elapsed time for k point: 0.12052106857299805 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74072,7 +74108,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07510519027709961 +elapsed time for k point: 0.1258077621459961 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74124,15 +74160,15 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07483363151550293 -Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b01.te.h5... -Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b02.te.h5... -Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b03.te.h5... -Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b04.te.h5... -Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b05.te.h5... -Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b06.te.h5... -Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b07.te.h5... -Outputting fields to /tmp/meepREy4kN/test_poynting-0-flux.v.k11.b08.te.h5... +elapsed time for k point: 0.17487001419067383 +Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b01.te.h5... +Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b02.te.h5... +Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b03.te.h5... +Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b04.te.h5... +Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b05.te.h5... +Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b06.te.h5... +Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b07.te.h5... +Outputting fields to /tmp/meepuUBjUW/test_poynting-0-flux.v.k11.b08.te.h5... solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74173,7 +74209,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.05928468704223633 +elapsed time for k point: 0.1382896900177002 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74220,7 +74256,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.0688166618347168 +elapsed time for k point: 0.16810083389282227 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74283,7 +74319,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09405303001403809 +elapsed time for k point: 0.21447277069091797 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -74356,7 +74392,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11031174659729004 +elapsed time for k point: 0.291515588760376 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -74551,7 +74587,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -..elapsed time for k point: 0.2467949390411377 +..elapsed time for k point: 0.6375072002410889 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -74563,15 +74599,15 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 2.0490245819091797 +total elapsed time for run: 5.5276899337768555 done -/tmp/meepREy4kN/test_poynting-0: 2.05s +/tmp/meepuUBjUW/test_poynting-0: 5.54s -/tmp/meepREy4kN/test_resolution-0 +/tmp/meepuUBjUW/test_resolution-0 ======================== -/tmp/meepREy4kN/test_resolution-0: 0.00s +/tmp/meepuUBjUW/test_resolution-0: 0.00s -/tmp/meepREy4kN/test_run_te-0 +/tmp/meepuUBjUW/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -74614,7 +74650,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013620853424072266 +elapsed time for initialization: 0.0013554096221923828 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -74725,7 +74761,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1391596794128418 +elapsed time for k point: 0.29299259185791016 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -74976,7 +75012,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3863236904144287 +elapsed time for k point: 0.9307928085327148 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75033,7 +75069,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08520889282226562 +elapsed time for k point: 0.20521879196166992 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75086,7 +75122,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07837224006652832 +elapsed time for k point: 0.21004366874694824 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75147,7 +75183,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09065842628479004 +elapsed time for k point: 0.19907665252685547 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75240,7 +75276,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1414179801940918 +elapsed time for k point: 0.3066375255584717 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -75311,7 +75347,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10685038566589355 +elapsed time for k point: 0.2385108470916748 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75372,7 +75408,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09082269668579102 +elapsed time for k point: 0.14815235137939453 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75425,7 +75461,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07859659194946289 +elapsed time for k point: 0.08776545524597168 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75477,7 +75513,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0749213695526123 +elapsed time for k point: 0.11116528511047363 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75529,7 +75565,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.0746917724609375 +elapsed time for k point: 0.0761570930480957 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75570,7 +75606,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.05926370620727539 +elapsed time for k point: 0.05987286567687988 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75617,7 +75653,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06885933876037598 +elapsed time for k point: 0.07065725326538086 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75680,7 +75716,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09393787384033203 +elapsed time for k point: 0.11250948905944824 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -75753,7 +75789,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1100914478302002 +elapsed time for k point: 0.29384660720825195 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -75948,7 +75984,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.24660325050354004 +.elapsed time for k point: 0.6295702457427979 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -75960,11 +75996,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9282703399658203 +total elapsed time for run: 3.9754598140716553 done -/tmp/meepREy4kN/test_run_te-0: 1.93s +/tmp/meepuUBjUW/test_run_te-0: 3.98s -/tmp/meepREy4kN/test_run_te_no_geometry-0 +/tmp/meepuUBjUW/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance @@ -76005,7 +76041,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0009748935699462891 +elapsed time for initialization: 0.0009691715240478516 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -76028,7 +76064,7 @@ iteration 8: trace = 10.00000000175005 (4.04653e-07% change) Finished solving for bands 2 to 8 after 8 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 -elapsed time for k point: 0.023209571838378906 +elapsed time for k point: 0.051737308502197266 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace @@ -76038,35 +76074,35 @@ iteration 2: trace = 9.880000004055377 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 -elapsed time for k point: 0.008629560470581055 +elapsed time for k point: 0.02093505859375 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339346 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 -elapsed time for k point: 0.005494594573974609 +elapsed time for k point: 0.013625383377075195 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56717e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 -elapsed time for k point: 0.005426645278930664 +elapsed time for k point: 0.013579607009887695 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43813e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 -elapsed time for k point: 0.005434274673461914 +elapsed time for k point: 0.013633489608764648 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.97997e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 -elapsed time for k point: 0.005463600158691406 +elapsed time for k point: 0.01356816291809082 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace @@ -76076,7 +76112,7 @@ iteration 2: trace = 10.87999995545266 (4.05901e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929 -elapsed time for k point: 0.00861215591430664 +elapsed time for k point: 0.018778324127197266 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace @@ -76086,7 +76122,7 @@ iteration 2: trace = 10.72763986624717 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 -elapsed time for k point: 0.008655071258544922 +elapsed time for k point: 0.02517223358154297 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -76107,21 +76143,21 @@ iteration 8: trace = 10.7200001769306 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 -elapsed time for k point: 0.027553081512451172 +elapsed time for k point: 0.06438732147216797 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 11.28000006011032 (3.51788e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.640312, 0.640312, 0.781025, 0.781025, 1.48661, 1.48661, 1.55242, 1.55242 -elapsed time for k point: 0.0054531097412109375 +elapsed time for k point: 0.01775836944580078 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 12.00000000012884 (4.02124e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.707107, 0.707107, 0.707107, 0.707107, 1.58114, 1.58114, 1.58114, 1.58114 -elapsed time for k point: 0.00544428825378418 +elapsed time for k point: 0.0054929256439208984 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace @@ -76283,35 +76319,35 @@ iteration 77: trace = 10.96000007994673 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 -elapsed time for k point: 0.24515938758850098 +elapsed time for k point: 0.7195205688476562 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.24000001500887 (1.09258e-06% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.424264, 0.761577, 0.761577, 0.989949, 1.33417, 1.33417, 1.47648, 1.47648 -elapsed time for k point: 0.005501270294189453 +elapsed time for k point: 0.013803243637084961 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.840000001756971 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 -elapsed time for k point: 0.005454063415527344 +elapsed time for k point: 0.01661062240600586 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165837 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 -elapsed time for k point: 0.005399942398071289 +elapsed time for k point: 0.013646841049194336 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76508e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 -.elapsed time for k point: 0.0046100616455078125 +.elapsed time for k point: 0.008832693099975586 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350691 at Vector3<0.5, 0.0, 0.0> to 1.0000000000464644 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884213 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555262 at Vector3<0.5, 0.0, 0.0> @@ -76320,11 +76356,11 @@ Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085848 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164035 at Vector3<0.2, 0.0, 0.0> to 1.581138830089242 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.802775637652445 at Vector3<0.5, 0.0, 0.0> -total elapsed time for run: 0.3775625228881836 +total elapsed time for run: 1.0331850051879883 done -/tmp/meepREy4kN/test_run_te_no_geometry-0: 0.38s +/tmp/meepuUBjUW/test_run_te_no_geometry-0: 1.03s -/tmp/meepREy4kN/test_run_te_with_mu_material-0 +/tmp/meepuUBjUW/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -76368,7 +76404,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0019063949584960938 +elapsed time for initialization: 0.0060732364654541016 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -76786,7 +76822,7 @@ iteration 204: trace = 6.85430077095844 (9.14962e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 -elapsed time for k point: 1.0353832244873047 +elapsed time for k point: 2.9054253101348877 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -77154,7 +77190,7 @@ iteration 152: trace = 6.791967496513665 (8.54575e-11% change) Finished solving for bands 1 to 8 after 152 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 -elapsed time for k point: 0.9187872409820557 +elapsed time for k point: 2.606924533843994 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -77404,7 +77440,7 @@ iteration 106: trace = 6.760812143880038 (7.634e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 -elapsed time for k point: 0.6427619457244873 +elapsed time for k point: 0.6805367469787598 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -77631,7 +77667,7 @@ iteration 101: trace = 6.801884535649821 (4.13933e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 -elapsed time for k point: 0.6125421524047852 +elapsed time for k point: 0.6847777366638184 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -78202,7 +78238,7 @@ iteration 276: trace = 6.680068177089201 (8.90696e-11% change) Finished solving for bands 1 to 8 after 276 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 -elapsed time for k point: 1.6642169952392578 +elapsed time for k point: 1.9766364097595215 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78363,7 +78399,7 @@ iteration 77: trace = 6.642769244576151 (8.15473e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 -elapsed time for k point: 0.46819305419921875 +elapsed time for k point: 0.6809980869293213 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78547,7 +78583,7 @@ iteration 87: trace = 6.663505677515312 (7.37227e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 -elapsed time for k point: 0.528815746307373 +elapsed time for k point: 1.3025052547454834 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -78759,7 +78795,7 @@ iteration 102: trace = 6.708845621696623 (9.64852e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 -elapsed time for k point: 0.6187667846679688 +elapsed time for k point: 1.0392184257507324 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -79014,7 +79050,7 @@ iteration 123: trace = 6.740400274229645 (8.9959e-11% change) Finished solving for bands 1 to 8 after 123 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 -elapsed time for k point: 0.7455129623413086 +elapsed time for k point: 1.3273236751556396 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -79700,7 +79736,7 @@ iteration 331: trace = 6.638733455480923 (4.0163e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 -elapsed time for k point: 2.0033717155456543 +elapsed time for k point: 3.875922203063965 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -79845,7 +79881,7 @@ iteration 69: trace = 6.611072637361785 (7.57315e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 -elapsed time for k point: 0.4222724437713623 +elapsed time for k point: 1.5735015869140625 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80052,7 +80088,7 @@ iteration 99: trace = 6.660936714441473 (9.18989e-11% change) Finished solving for bands 1 to 8 after 99 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 -elapsed time for k point: 0.6000425815582275 +elapsed time for k point: 1.462587594985962 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80323,7 +80359,7 @@ iteration 127: trace = 6.720498465555194 (4.76303e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 -elapsed time for k point: 0.7704823017120361 +elapsed time for k point: 1.308332920074463 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -80578,7 +80614,7 @@ iteration 110: trace = 6.712756811015986 (9.78844e-11% change) Finished solving for bands 1 to 8 after 110 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 -elapsed time for k point: 0.67189621925354 +elapsed time for k point: 0.753420352935791 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -80896,7 +80932,7 @@ iteration 132: trace = 6.746817618105011 (1.90226e-11% change) Finished solving for bands 1 to 8 after 132 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 -elapsed time for k point: 0.8033432960510254 +elapsed time for k point: 1.49784255027771 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. @@ -81168,7 +81204,7 @@ iteration 132: trace = 6.854300770959935 (9.7431e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 -elapsed time for k point: 0.6719653606414795 +elapsed time for k point: 1.6199285984039307 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037401 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4732823234872291 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290618 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818523 at Vector3<0.5, 0.5, 0.0> to 0.8037365323031586 at Vector3<0.5, 0.0, 0.0> @@ -81179,14 +81215,14 @@ Band 8 range: 1.2059728636717484 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605643 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037401) to band 2 (0.4732823234872291), 12.756230634740582% Gap from band 4 (0.8863448167711523) to band 5 (0.9047498485810708), 2.055171305677368% -total elapsed time for run: 13.181404113769531 +total elapsed time for run: 25.303153038024902 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" -Outputting /tmp/meepREy4kN/test_run_te_with_mu_material-0-mu.h5... +Outputting /tmp/meepuUBjUW/test_run_te_with_mu_material-0-mu.h5... mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" -./tmp/meepREy4kN/test_run_te_with_mu_material-0: 13.19s +./tmp/meepuUBjUW/test_run_te_with_mu_material-0: 25.32s -/tmp/meepREy4kN/test_run_tm-0 +/tmp/meepuUBjUW/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -81229,7 +81265,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013744831085205078 +elapsed time for initialization: 0.0013556480407714844 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -81365,7 +81401,7 @@ iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -elapsed time for k point: 0.16282129287719727 +elapsed time for k point: 0.3851799964904785 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81416,7 +81452,7 @@ iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 -elapsed time for k point: 0.07508969306945801 +elapsed time for k point: 0.1788475513458252 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -81447,7 +81483,7 @@ iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 -elapsed time for k point: 0.04338550567626953 +elapsed time for k point: 0.10122060775756836 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81478,7 +81514,7 @@ iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 -elapsed time for k point: 0.043488264083862305 +elapsed time for k point: 0.10575103759765625 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81509,7 +81545,7 @@ iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 -elapsed time for k point: 0.04332160949707031 +elapsed time for k point: 0.10154294967651367 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81540,7 +81576,7 @@ iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 -elapsed time for k point: 0.04338836669921875 +elapsed time for k point: 0.10577893257141113 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81569,7 +81605,7 @@ iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 -elapsed time for k point: 0.040293216705322266 +elapsed time for k point: 0.09420633316040039 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81596,7 +81632,7 @@ iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 -elapsed time for k point: 0.03711700439453125 +elapsed time for k point: 0.09089779853820801 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81625,7 +81661,7 @@ iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 -elapsed time for k point: 0.04033160209655762 +elapsed time for k point: 0.09796786308288574 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81658,7 +81694,7 @@ iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 -elapsed time for k point: 0.04672503471374512 +elapsed time for k point: 0.10435724258422852 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81693,7 +81729,7 @@ iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 -elapsed time for k point: 0.050003767013549805 +elapsed time for k point: 0.12005400657653809 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81730,7 +81766,7 @@ iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 -elapsed time for k point: 0.05340909957885742 +elapsed time for k point: 0.1273963451385498 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81759,7 +81795,7 @@ iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 -elapsed time for k point: 0.040351152420043945 +elapsed time for k point: 0.09401440620422363 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -81788,7 +81824,7 @@ iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 -elapsed time for k point: 0.04024529457092285 +elapsed time for k point: 0.09383440017700195 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -81821,7 +81857,7 @@ iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 -elapsed time for k point: 0.0467066764831543 +elapsed time for k point: 0.11299252510070801 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -81953,7 +81989,7 @@ iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 -.elapsed time for k point: 0.15748190879821777 +.elapsed time for k point: 0.36763978004455566 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> @@ -81964,11 +82000,11 @@ Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% -total elapsed time for run: 0.9666578769683838 +total elapsed time for run: 2.284226417541504 done -/tmp/meepREy4kN/test_run_tm-0: 0.97s +/tmp/meepuUBjUW/test_run_tm-0: 2.28s -/tmp/meepREy4kN/test_set_eigenvectors-0 +/tmp/meepuUBjUW/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -82011,7 +82047,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.001375436782836914 +elapsed time for initialization: 0.0013663768768310547 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -82122,7 +82158,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1393122673034668 +elapsed time for k point: 0.33292078971862793 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82373,7 +82409,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3867659568786621 +elapsed time for k point: 0.9104504585266113 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82430,7 +82466,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08538508415222168 +elapsed time for k point: 0.19680333137512207 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82483,7 +82519,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.0782773494720459 +elapsed time for k point: 0.18580842018127441 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82544,7 +82580,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09089493751525879 +elapsed time for k point: 0.21874260902404785 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82637,7 +82673,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14143705368041992 +elapsed time for k point: 0.33619070053100586 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -82708,7 +82744,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10705137252807617 +elapsed time for k point: 0.25598978996276855 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82769,7 +82805,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09102916717529297 +elapsed time for k point: 0.21116852760314941 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82822,7 +82858,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07828354835510254 +elapsed time for k point: 0.18608832359313965 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82874,7 +82910,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07504487037658691 +elapsed time for k point: 0.17821025848388672 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82926,7 +82962,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07499551773071289 +elapsed time for k point: 0.1740884780883789 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -82967,7 +83003,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.05935931205749512 +elapsed time for k point: 0.14572668075561523 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83014,7 +83050,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06903958320617676 +elapsed time for k point: 0.1516246795654297 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83077,7 +83113,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09411787986755371 +elapsed time for k point: 0.22196555137634277 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83150,7 +83186,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11033463478088379 +elapsed time for k point: 0.25873470306396484 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -83345,7 +83381,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24715280532836914 +elapsed time for k point: 0.5806643962860107 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -83357,7 +83393,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.930971384048462 +total elapsed time for run: 4.555803060531616 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -83399,7 +83435,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013663768768310547 +elapsed time for initialization: 0.0013575553894042969 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -83510,7 +83546,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.13936734199523926 +elapsed time for k point: 0.32447028160095215 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -83761,7 +83797,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.38861799240112305 +elapsed time for k point: 0.9158124923706055 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83818,7 +83854,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08571982383728027 +elapsed time for k point: 0.20457839965820312 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83871,7 +83907,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07923769950866699 +elapsed time for k point: 0.18599200248718262 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -83932,7 +83968,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09201455116271973 +elapsed time for k point: 0.21484923362731934 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84025,7 +84061,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14267730712890625 +elapsed time for k point: 0.3320314884185791 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -84096,7 +84132,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10729622840881348 +elapsed time for k point: 0.25281310081481934 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84157,7 +84193,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09107756614685059 +elapsed time for k point: 0.21891570091247559 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84210,7 +84246,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07871627807617188 +elapsed time for k point: 0.18170642852783203 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84262,7 +84298,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07518148422241211 +elapsed time for k point: 0.17860817909240723 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84314,7 +84350,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07503819465637207 +elapsed time for k point: 0.18321824073791504 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84355,7 +84391,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.05931234359741211 +elapsed time for k point: 0.14330792427062988 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84402,7 +84438,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06895184516906738 +elapsed time for k point: 0.15989112854003906 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84465,7 +84501,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09409594535827637 +elapsed time for k point: 0.3152921199798584 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -84538,7 +84574,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11017799377441406 +elapsed time for k point: 0.32173609733581543 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -84733,7 +84769,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.2466890811920166 +elapsed time for k point: 0.5827791690826416 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -84745,7 +84781,7 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9366626739501953 +total elapsed time for run: 4.718538999557495 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -84787,7 +84823,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0014154911041259766 +elapsed time for initialization: 0.0013687610626220703 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -84898,7 +84934,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.13971257209777832 +elapsed time for k point: 0.328519344329834 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85149,7 +85185,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3876481056213379 +elapsed time for k point: 0.9112565517425537 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85206,7 +85242,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08557367324829102 +elapsed time for k point: 0.20065665245056152 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85259,7 +85295,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07876038551330566 +elapsed time for k point: 0.18941235542297363 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85320,7 +85356,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.0912623405456543 +elapsed time for k point: 0.21045947074890137 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85413,7 +85449,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.14220666885375977 +elapsed time for k point: 0.33090901374816895 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -85484,7 +85520,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10780596733093262 +elapsed time for k point: 0.2511005401611328 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85545,7 +85581,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09158134460449219 +elapsed time for k point: 0.21088480949401855 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85598,7 +85634,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.0790395736694336 +elapsed time for k point: 0.18963909149169922 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85650,7 +85686,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.0754237174987793 +elapsed time for k point: 0.17401933670043945 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85702,7 +85738,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07564806938171387 +elapsed time for k point: 0.18188786506652832 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85743,7 +85779,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.05983257293701172 +elapsed time for k point: 0.13724637031555176 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85790,7 +85826,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06942343711853027 +elapsed time for k point: 0.15944766998291016 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85853,7 +85889,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09461784362792969 +elapsed time for k point: 0.22167134284973145 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -85926,7 +85962,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.11068487167358398 +elapsed time for k point: 0.2584538459777832 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -86121,7 +86157,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -.elapsed time for k point: 0.248002290725708 +.elapsed time for k point: 0.5787169933319092 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -86133,11 +86169,11 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.939781665802002 +total elapsed time for run: 4.536811113357544 done -/tmp/meepREy4kN/test_set_eigenvectors-0: 5.81s +/tmp/meepuUBjUW/test_set_eigenvectors-0: 13.81s -/tmp/meepREy4kN/test_sq_rods-0 +/tmp/meepuUBjUW/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -86180,7 +86216,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013766288757324219 +elapsed time for initialization: 0.005509853363037109 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -86279,7 +86315,7 @@ iteration 46: trace = 5.628864169013057 (5.98182e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 -elapsed time for k point: 0.121734619140625 +elapsed time for k point: 0.2852916717529297 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 14 iterations. @@ -86558,7 +86594,7 @@ iteration 134: trace = 5.63851519575991 (7.11045e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 -elapsed time for k point: 0.43048906326293945 +elapsed time for k point: 0.9821181297302246 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86617,7 +86653,7 @@ iteration 27: trace = 5.595179271816558 (4.70664e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 -elapsed time for k point: 0.08870077133178711 +elapsed time for k point: 0.2007460594177246 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86666,7 +86702,7 @@ iteration 22: trace = 5.577903304673043 (5.97596e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 -elapsed time for k point: 0.07223796844482422 +elapsed time for k point: 0.16052985191345215 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86725,7 +86761,7 @@ iteration 27: trace = 5.594031416858383 (7.93069e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 -elapsed time for k point: 0.08826994895935059 +elapsed time for k point: 0.20550251007080078 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86828,7 +86864,7 @@ iteration 48: trace = 5.637414337940057 (7.79876e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 -elapsed time for k point: 0.1552107334136963 +elapsed time for k point: 0.34822773933410645 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -86899,7 +86935,7 @@ iteration 33: trace = 5.518941371312549 (7.7296e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 -elapsed time for k point: 0.10737967491149902 +elapsed time for k point: 0.25228238105773926 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -86958,7 +86994,7 @@ iteration 27: trace = 5.342524465514544 (5.97325e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 -elapsed time for k point: 0.08848881721496582 +elapsed time for k point: 0.20145058631896973 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87009,7 +87045,7 @@ iteration 23: trace = 5.199556238067979 (9.53848e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 -elapsed time for k point: 0.0755760669708252 +elapsed time for k point: 0.17200398445129395 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87061,7 +87097,7 @@ iteration 23: trace = 5.110086770190959 (3.55787e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 -elapsed time for k point: 0.07587027549743652 +elapsed time for k point: 0.17225408554077148 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87111,7 +87147,7 @@ iteration 22: trace = 5.079827770073004 (8.13725e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 -elapsed time for k point: 0.07216763496398926 +elapsed time for k point: 0.16142845153808594 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87152,7 +87188,7 @@ iteration 18: trace = 5.139784911490271 (2.6802e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 -elapsed time for k point: 0.0594792366027832 +elapsed time for k point: 0.14471817016601562 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87197,7 +87233,7 @@ iteration 20: trace = 5.3079241743296 (7.07641e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 -elapsed time for k point: 0.06619524955749512 +elapsed time for k point: 0.1464676856994629 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87254,7 +87290,7 @@ iteration 26: trace = 5.515690777956149 (3.99832e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 -elapsed time for k point: 0.08507347106933594 +elapsed time for k point: 0.1985185146331787 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87329,7 +87365,7 @@ iteration 35: trace = 5.620307970788173 (8.50361e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 -elapsed time for k point: 0.11376810073852539 +elapsed time for k point: 0.2587258815765381 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -87507,7 +87543,7 @@ iteration 85: trace = 5.628864169011917 (5.73409e-11% change) Finished solving for bands 2 to 8 after 85 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 -elapsed time for k point: 0.2226088047027588 +elapsed time for k point: 0.5165367126464844 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219018 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067495 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519592 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470327 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911942 at Vector3<0.0, 0.0, 0.0> @@ -87519,7 +87555,7 @@ Gap from band 2 (0.5943440245519592) to band 3 (0.5943566394470327), 0.0021224679106323554% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339184), 1.586071064729172% Gap from band 7 (1.0958021492221035) to band 8 (1.097416809585407), 0.14724114588007364% -total elapsed time for run: 1.925797700881958 +total elapsed time for run: 4.413516283035278 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -87561,7 +87597,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013689994812011719 +elapsed time for initialization: 0.0013613700866699219 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -87638,7 +87674,7 @@ iteration 35: trace = 4.48379827469335 (8.37904e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 -elapsed time for k point: 0.09333491325378418 +elapsed time for k point: 0.2198810577392578 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87697,7 +87733,7 @@ iteration 27: trace = 4.398155533647456 (5.80587e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 -elapsed time for k point: 0.08823704719543457 +elapsed time for k point: 0.19700860977172852 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -87728,7 +87764,7 @@ iteration 13: trace = 4.31446585571558 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 -elapsed time for k point: 0.04364895820617676 +elapsed time for k point: 0.1000216007232666 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87759,7 +87795,7 @@ iteration 13: trace = 4.256363888498332 (1.19568e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 -elapsed time for k point: 0.043434858322143555 +elapsed time for k point: 0.10395503044128418 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87790,7 +87826,7 @@ iteration 13: trace = 4.226095324429568 (1.07605e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 -elapsed time for k point: 0.04353690147399902 +elapsed time for k point: 0.09993982315063477 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87823,7 +87859,7 @@ iteration 14: trace = 4.217772179352377 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 -elapsed time for k point: 0.04663586616516113 +elapsed time for k point: 0.10716843605041504 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87850,7 +87886,7 @@ iteration 11: trace = 4.205423828027399 (3.82269e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 -elapsed time for k point: 0.03736424446105957 +elapsed time for k point: 0.08559179306030273 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87879,7 +87915,7 @@ iteration 12: trace = 4.182592281022643 (3.09396e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 -elapsed time for k point: 0.04050588607788086 +elapsed time for k point: 0.09319114685058594 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87908,7 +87944,7 @@ iteration 12: trace = 4.167811239279438 (1.56419e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 -elapsed time for k point: 0.040224313735961914 +elapsed time for k point: 0.0928335189819336 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87941,7 +87977,7 @@ iteration 14: trace = 4.169023318668043 (1.86199e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 -elapsed time for k point: 0.046538352966308594 +elapsed time for k point: 0.10076308250427246 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -87976,7 +88012,7 @@ iteration 15: trace = 4.178672965088623 (1.77692e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 -elapsed time for k point: 0.049826860427856445 +elapsed time for k point: 0.11872625350952148 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88015,7 +88051,7 @@ iteration 17: trace = 4.14101257803556 (3.44889e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 -elapsed time for k point: 0.056206464767456055 +elapsed time for k point: 0.12771248817443848 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88044,7 +88080,7 @@ iteration 12: trace = 4.14133040570003 (2.94249e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 -elapsed time for k point: 0.04039883613586426 +elapsed time for k point: 0.0988306999206543 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -88073,7 +88109,7 @@ iteration 12: trace = 4.213521375941404 (1.81492e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 -elapsed time for k point: 0.040396690368652344 +elapsed time for k point: 0.08923602104187012 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -88104,7 +88140,7 @@ iteration 13: trace = 4.345426086018986 (7.1497e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 -elapsed time for k point: 0.043578147888183594 +elapsed time for k point: 0.10059809684753418 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -88237,7 +88273,7 @@ iteration 59: trace = 4.48379802415644 (6.17633e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 -.elapsed time for k point: 0.15495538711547852 +.elapsed time for k point: 0.37848806381225586 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975133 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831293 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5029830978365978 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128112 at Vector3<0.5, 0.0, 0.0> @@ -88248,11 +88284,11 @@ Band 8 range: 0.8929933495598094 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093362 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965476) to band 2 (0.42065733839975133), 38.14282289547772% Gap from band 4 (0.7200918204564002) to band 5 (0.7472029910480837), 3.695395142014472% -total elapsed time for run: 0.9112875461578369 +total elapsed time for run: 2.116481304168701 done -/tmp/meepREy4kN/test_sq_rods-0: 2.84s +/tmp/meepuUBjUW/test_sq_rods-0: 6.53s -/tmp/meepREy4kN/test_strip-0 +/tmp/meepuUBjUW/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance @@ -88294,7 +88330,7 @@ Vector3<2.42, 0.0, 0.0> Vector3<2.71, 0.0, 0.0> Vector3<3.0, 0.0, 0.0> -elapsed time for initialization: 0.0041429996490478516 +elapsed time for initialization: 0.012210845947265625 solve_kpoint (0.1,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4 Solving for bands 1 to 4... @@ -88383,7 +88419,7 @@ iteration 41: trace = 0.2686493130629992 (6.0832e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 -elapsed time for k point: 0.24048590660095215 +elapsed time for k point: 0.5787405967712402 zparity:, 1, 0.991845764322559, -0.9993165778921825, 0.9263952713918745, 0.734287985500236 yparity:, 1, -0.9999999941669303, 0.9999999948774843, 0.9999993171367377, -0.999990343487298 solve_kpoint (0.39,0,0): @@ -88450,7 +88486,7 @@ iteration 30: trace = 0.6068839394817216 (4.76188e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 -elapsed time for k point: 0.17806363105773926 +elapsed time for k point: 0.4233701229095459 zparity:, 2, 0.8497976290527355, -0.8562083115829646, 0.613504714456493, 0.7040493643450679 yparity:, 2, -0.9999999782411549, 0.9999997901628059, 1.000005868341607, -0.9999353452610711 solve_kpoint (0.68,0,0): @@ -88523,7 +88559,7 @@ iteration 33: trace = 1.207704486916823 (5.59108e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 -elapsed time for k point: 0.19578289985656738 +elapsed time for k point: 0.46557068824768066 zparity:, 3, 0.6430471097756447, -0.5132970565001864, 0.749333227902697, -0.5174581396280994 yparity:, 3, -1.0000092437102739, 0.9999867307863455, -0.9999773484878718, 0.9999739527336347 solve_kpoint (0.97,0,0): @@ -88586,7 +88622,7 @@ iteration 28: trace = 1.883192742813691 (5.95203e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 -elapsed time for k point: 0.16535115242004395 +elapsed time for k point: 0.40900707244873047 zparity:, 4, 0.9505599456752065, -0.795378249423283, 0.2909593295980241, -0.2599400191523577 yparity:, 4, -0.9999756485606782, 0.9999734198098535, -0.9999951573073973, 1.000002402143964 solve_kpoint (1.26,0,0): @@ -88699,7 +88735,7 @@ iteration 53: trace = 2.604105949809357 (7.31762e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 -elapsed time for k point: 0.30904459953308105 +elapsed time for k point: 0.9315552711486816 zparity:, 5, 0.989433203647212, -0.9410345597944496, -0.9057097520341679, 0.12590511654500938 yparity:, 5, -0.9999341958042025, 0.9999920496328631, -0.9999957145770669, 1.0000214447225875 solve_kpoint (1.55,0,0): @@ -88764,7 +88800,7 @@ iteration 29: trace = 3.170970083323871 (9.72916e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 -elapsed time for k point: 0.17121291160583496 +elapsed time for k point: 0.4779033660888672 zparity:, 6, 0.9953267395056951, -0.9730766670040221, -0.986247911215252, 0.7878496622631198 yparity:, 6, -0.9999079119735855, 0.9999964725103828, -1.000000377490359, 1.0001762821174565 solve_kpoint (1.84,0,0): @@ -88837,7 +88873,7 @@ iteration 32: trace = 3.666115155387485 (3.63279e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 -elapsed time for k point: 0.18995070457458496 +elapsed time for k point: 0.4590911865234375 zparity:, 7, 0.9973241081197969, -0.984353627051524, -0.9920656947485795, 0.9432892229195069 yparity:, 7, -0.9998843493066407, 0.9999987176028036, -1.000004228955064, 1.000251295159799 solve_kpoint (2.13,0,0): @@ -89071,7 +89107,7 @@ iteration 111: trace = 4.142245065134214 (5.83864e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 -elapsed time for k point: 0.6494729518890381 +elapsed time for k point: 1.5915486812591553 zparity:, 8, 0.9982486290503177, -0.9895791223046916, -0.9942480254116284, -0.9858374395357821 yparity:, 8, -0.9998633636102361, 1.0000002772665153, -1.0000094946193563, -0.9998446077472626 solve_kpoint (2.42,0,0): @@ -89122,7 +89158,7 @@ iteration 22: trace = 4.658682156001959 (6.49736e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 -elapsed time for k point: 0.1339716911315918 +elapsed time for k point: 0.3242349624633789 zparity:, 9, 0.9987530861905035, -0.9924225574132503, -0.9954159207907368, -0.9908510257235786 yparity:, 9, -0.9998459146893053, 1.000001510036795, -1.0000160082783978, -0.9998409671139477 solve_kpoint (2.71,0,0): @@ -89161,7 +89197,7 @@ iteration 16: trace = 5.22582194181603 (8.96197e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 -elapsed time for k point: 0.09884333610534668 +elapsed time for k point: 0.2364521026611328 zparity:, 10, 0.999058451884413, -0.9941385054596745, -0.996144476211231, -0.9934909746544984 yparity:, 10, -0.999833271897719, 1.000002524621246, -1.0000230923335933, -0.9998348121389271 solve_kpoint (3,0,0): @@ -89200,18 +89236,18 @@ iteration 16: trace = 5.844970311253993 (6.88361e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 -Felapsed time for k point: 0.1002035140991211 +Felapsed time for k point: 0.2411038875579834 zparity:, 11, 0.999257350936381, -0.9952507980580001, -0.9966396089669411, -0.9950905165813099 yparity:, 11, -0.9998264814151208, 1.000003358403511, -1.0000301573652695, -0.9998331550675029 Band 1 range: 0.08075820534047619 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106427 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.0855765355012531 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904504 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800331054 at Vector3<0.1, 0.0, 0.0> to 1.2769288087738555 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568814 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201543 at Vector3<3.0, 0.0, 0.0> -total elapsed time for run: 2.438840627670288 +total elapsed time for run: 6.153268098831177 done -/tmp/meepREy4kN/test_strip-0: 2.44s +/tmp/meepuUBjUW/test_strip-0: 6.16s -/tmp/meepREy4kN/test_subpixel_averaging-0 +/tmp/meepuUBjUW/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -89254,7 +89290,7 @@ Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0013821125030517578 +elapsed time for initialization: 0.0013489723205566406 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -89365,7 +89401,7 @@ iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.1387767791748047 +elapsed time for k point: 0.32814717292785645 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89616,7 +89652,7 @@ iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 -elapsed time for k point: 0.3896608352661133 +elapsed time for k point: 0.9240999221801758 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89673,7 +89709,7 @@ iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 -elapsed time for k point: 0.08628296852111816 +elapsed time for k point: 0.2059473991394043 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89726,7 +89762,7 @@ iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 -elapsed time for k point: 0.07965707778930664 +elapsed time for k point: 0.18657660484313965 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89787,7 +89823,7 @@ iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 -elapsed time for k point: 0.09251046180725098 +elapsed time for k point: 0.21169304847717285 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -89880,7 +89916,7 @@ iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 -elapsed time for k point: 0.1431427001953125 +elapsed time for k point: 0.3413236141204834 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -89951,7 +89987,7 @@ iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 -elapsed time for k point: 0.10830426216125488 +elapsed time for k point: 0.25743722915649414 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90012,7 +90048,7 @@ iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 -elapsed time for k point: 0.09203958511352539 +elapsed time for k point: 0.22052335739135742 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90065,7 +90101,7 @@ iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 -elapsed time for k point: 0.07947611808776855 +elapsed time for k point: 0.18999791145324707 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90117,7 +90153,7 @@ iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 -elapsed time for k point: 0.07647204399108887 +elapsed time for k point: 0.1752333641052246 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90169,7 +90205,7 @@ iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 -elapsed time for k point: 0.07591438293457031 +elapsed time for k point: 0.17506718635559082 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90210,7 +90246,7 @@ iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 -elapsed time for k point: 0.059870004653930664 +elapsed time for k point: 0.14674162864685059 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90257,7 +90293,7 @@ iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 -elapsed time for k point: 0.06920957565307617 +elapsed time for k point: 0.1606447696685791 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90320,7 +90356,7 @@ iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 -elapsed time for k point: 0.09470152854919434 +elapsed time for k point: 0.22741246223449707 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -90393,7 +90429,7 @@ iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 -elapsed time for k point: 0.1108400821685791 +elapsed time for k point: 0.2641158103942871 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. @@ -90588,7 +90624,7 @@ iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 -elapsed time for k point: 0.24595284461975098 +elapsed time for k point: 0.5794088840484619 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> @@ -90600,13 +90636,13 @@ Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% -total elapsed time for run: 1.9453980922698975 +total elapsed time for run: 4.596951961517334 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" -.Outputting /tmp/meepREy4kN/test_subpixel_averaging-0-epsilon.h5... -/tmp/meepREy4kN/test_subpixel_averaging-0: 1.96s +.Outputting /tmp/meepuUBjUW/test_subpixel_averaging-0-epsilon.h5... +/tmp/meepuUBjUW/test_subpixel_averaging-0: 4.62s -/tmp/meepREy4kN/test_symmetry_overlap-0 +/tmp/meepuUBjUW/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90634,7 +90670,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> -elapsed time for initialization: 0.045413970947265625 +elapsed time for initialization: 0.10558032989501953 solve_kpoint (0.5,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6 Solving for bands 1 to 6... @@ -90695,8 +90731,8 @@ iteration 27: trace = 2.04033564540094 (3.41501e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 -elapsed time for k point: 4.093977451324463 -total elapsed time for run: 4.139477491378784 +elapsed time for k point: 5.335507869720459 +total elapsed time for run: 5.44118332862854 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90723,7 +90759,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.04434537887573242 +elapsed time for initialization: 0.04600119590759277 solve_kpoint (0,0,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6 Solving for bands 2 to 6... @@ -90906,8 +90942,8 @@ iteration 87: trace = 2.470085654421875 (7.31194e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 -elapsed time for k point: 9.638393878936768 -total elapsed time for run: 9.682840347290039 +elapsed time for k point: 11.187900066375732 +total elapsed time for run: 11.23400354385376 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance @@ -90934,7 +90970,7 @@ Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.04435253143310547 +elapsed time for initialization: 0.1087646484375 solve_kpoint (0,0,0): zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6 Solving for bands 2 to 6... @@ -91003,12 +91039,12 @@ iteration 31: trace = 2.293368820559674 (4.40532e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 -.elapsed time for k point: 3.504971981048584 -total elapsed time for run: 3.5494325160980225 +.elapsed time for k point: 6.229914665222168 +total elapsed time for run: 6.338793039321899 done -/tmp/meepREy4kN/test_symmetry_overlap-0: 17.82s +/tmp/meepuUBjUW/test_symmetry_overlap-0: 23.68s -/tmp/meepREy4kN/test_tri_holes-0 +/tmp/meepuUBjUW/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -91051,7 +91087,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.002070188522338867 +elapsed time for initialization: 0.0021140575408935547 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -91173,7 +91209,7 @@ iteration 56: trace = 4.451949513355888 (5.7038e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 -elapsed time for k point: 0.151580810546875 +elapsed time for k point: 0.35085415840148926 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91282,7 +91318,7 @@ iteration 51: trace = 4.458889461747212 (4.20297e-11% change) Finished solving for bands 1 to 8 after 51 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546 -elapsed time for k point: 0.16639375686645508 +elapsed time for k point: 0.4138753414154053 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91343,7 +91379,7 @@ iteration 28: trace = 4.481554639580319 (5.76719e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022 -elapsed time for k point: 0.09243512153625488 +elapsed time for k point: 0.35201168060302734 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91402,7 +91438,7 @@ iteration 27: trace = 4.534239367259118 (5.22811e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658 -elapsed time for k point: 0.08914875984191895 +elapsed time for k point: 0.3049783706665039 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91467,7 +91503,7 @@ iteration 30: trace = 4.607273350205848 (7.40265e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191 -elapsed time for k point: 0.09863591194152832 +elapsed time for k point: 0.30260539054870605 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91542,7 +91578,7 @@ iteration 35: trace = 4.654583747911483 (5.95734e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797 -elapsed time for k point: 0.11497092247009277 +elapsed time for k point: 0.27045369148254395 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91603,7 +91639,7 @@ iteration 28: trace = 4.657802402861526 (2.96708e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 -elapsed time for k point: 0.0919649600982666 +elapsed time for k point: 0.22553777694702148 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91670,7 +91706,7 @@ iteration 31: trace = 4.667096098888665 (7.49617e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 -elapsed time for k point: 0.1017298698425293 +elapsed time for k point: 0.3355686664581299 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91737,7 +91773,7 @@ iteration 31: trace = 4.681614604980835 (5.63268e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805 -elapsed time for k point: 0.10161685943603516 +elapsed time for k point: 0.3469865322113037 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -91806,7 +91842,7 @@ iteration 32: trace = 4.699960544782283 (8.85351e-11% change) Finished solving for bands 1 to 8 after 32 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946 -elapsed time for k point: 0.10475468635559082 +elapsed time for k point: 0.3624105453491211 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91921,7 +91957,7 @@ iteration 54: trace = 4.719164720216025 (5.81182e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 -elapsed time for k point: 0.17586278915405273 +elapsed time for k point: 0.6000895500183105 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -91984,7 +92020,7 @@ iteration 29: trace = 4.65395680404941 (5.67951e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842 -elapsed time for k point: 0.09553360939025879 +elapsed time for k point: 0.3240041732788086 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92041,7 +92077,7 @@ iteration 26: trace = 4.565737534032801 (6.61212e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032 -elapsed time for k point: 0.08573126792907715 +elapsed time for k point: 0.10250425338745117 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92096,7 +92132,7 @@ iteration 25: trace = 4.495299578884336 (5.17658e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567 -elapsed time for k point: 0.08286285400390625 +elapsed time for k point: 0.08965778350830078 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92164,7 +92200,7 @@ iteration 31: trace = 4.462569920661394 (8.71745e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423 -elapsed time for k point: 0.10258078575134277 +elapsed time for k point: 0.20091652870178223 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -92393,7 +92429,7 @@ iteration 109: trace = 4.451949513352739 (8.87789e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 -elapsed time for k point: 0.29204559326171875 +elapsed time for k point: 0.6869170665740967 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117474 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.49243428236220704 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.526971050644882 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> @@ -92405,7 +92441,7 @@ Gap from band 1 (0.2993049473117474) to band 2 (0.49243428236220704), 48.78609719263048% Gap from band 5 (0.7988168792802602) to band 6 (0.825978716470153), 3.343415905475546% Gap from band 7 (0.9834563303529559) to band 8 (0.9984200611839871), 1.5100569233207162% -total elapsed time for run: 1.9510796070098877 +total elapsed time for run: 5.2727251052856445 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -92447,7 +92483,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.002098560333251953 +elapsed time for initialization: 0.010248422622680664 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -92516,7 +92552,7 @@ iteration 31: trace = 2.86249068861899 (4.55494e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 -elapsed time for k point: 0.08451533317565918 +elapsed time for k point: 0.15670251846313477 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92561,7 +92597,7 @@ iteration 20: trace = 2.835301328478701 (6.87443e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 -elapsed time for k point: 0.06701397895812988 +elapsed time for k point: 0.1188509464263916 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -92598,7 +92634,7 @@ iteration 16: trace = 2.795630871597671 (2.5162e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 -elapsed time for k point: 0.053748369216918945 +elapsed time for k point: 0.08964252471923828 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. @@ -92631,7 +92667,7 @@ iteration 14: trace = 2.771565390381668 (1.6007e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 -elapsed time for k point: 0.04721260070800781 +elapsed time for k point: 0.07437300682067871 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92662,7 +92698,7 @@ iteration 13: trace = 2.76461709410778 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 -elapsed time for k point: 0.043923139572143555 +elapsed time for k point: 0.058098793029785156 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92697,7 +92733,7 @@ iteration 15: trace = 2.765514654374652 (5.36501e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 -elapsed time for k point: 0.05044102668762207 +elapsed time for k point: 0.08615398406982422 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92730,7 +92766,7 @@ iteration 14: trace = 2.765656097342629 (9.76443e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 -elapsed time for k point: 0.04707741737365723 +elapsed time for k point: 0.07349061965942383 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92765,7 +92801,7 @@ iteration 15: trace = 2.766440393053365 (2.33086e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 -elapsed time for k point: 0.05037355422973633 +elapsed time for k point: 0.07688713073730469 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92800,7 +92836,7 @@ iteration 15: trace = 2.768905996249788 (5.57336e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 -elapsed time for k point: 0.050421714782714844 +elapsed time for k point: 0.08481597900390625 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -92837,7 +92873,7 @@ iteration 16: trace = 2.774529530826193 (2.4313e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 -elapsed time for k point: 0.05361628532409668 +elapsed time for k point: 0.06589174270629883 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -92899,7 +92935,7 @@ iteration 27: trace = 2.784404130698568 (1.99843e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 -elapsed time for k point: 0.08899092674255371 +elapsed time for k point: 0.12062215805053711 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. @@ -92934,7 +92970,7 @@ iteration 15: trace = 2.766275694185344 (1.14944e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 -elapsed time for k point: 0.050269126892089844 +elapsed time for k point: 0.07717156410217285 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -92965,7 +93001,7 @@ iteration 13: trace = 2.76576657496863 (1.10951e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 -elapsed time for k point: 0.0440211296081543 +elapsed time for k point: 0.0625147819519043 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. @@ -92996,7 +93032,7 @@ iteration 13: trace = 2.786825446005419 (1.54254e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 -elapsed time for k point: 0.04413747787475586 +elapsed time for k point: 0.06259608268737793 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. @@ -93037,7 +93073,7 @@ iteration 18: trace = 2.829270279885341 (1.59631e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 -elapsed time for k point: 0.06020665168762207 +elapsed time for k point: 0.06444191932678223 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 7 iterations. @@ -93105,7 +93141,7 @@ iteration 31: trace = 2.86249068861861 (3.02369e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 -.elapsed time for k point: 0.08469080924987793 +.elapsed time for k point: 0.09216809272766113 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378438 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046674 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448603 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980675 at Vector3<0.0, 0.0, 0.0> @@ -93120,11 +93156,11 @@ Gap from band 4 (0.5808701365268195) to band 5 (0.5810352468043717), 0.028420606345552754% Gap from band 5 (0.6824860801372995) to band 6 (0.6825317446714997), 0.006690686871665024% Gap from band 7 (0.7841042622393077) to band 8 (0.7980077872594105), 1.7575904341930733% -total elapsed time for run: 0.9239208698272705 +total elapsed time for run: 1.3842103481292725 done -/tmp/meepREy4kN/test_tri_holes-0: 2.88s +/tmp/meepuUBjUW/test_tri_holes-0: 6.66s -/tmp/meepREy4kN/test_tri_rods-0 +/tmp/meepuUBjUW/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -93166,7 +93202,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0014395713806152344 +elapsed time for initialization: 0.0014963150024414062 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -93221,7 +93257,7 @@ iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.06524825096130371 +elapsed time for k point: 0.06946158409118652 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93262,7 +93298,7 @@ iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.059308528900146484 +elapsed time for k point: 0.062337398529052734 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93297,7 +93333,7 @@ iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.04974985122680664 +elapsed time for k point: 0.05045485496520996 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93330,7 +93366,7 @@ iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.04674792289733887 +elapsed time for k point: 0.047354936599731445 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93361,7 +93397,7 @@ iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.043609619140625 +elapsed time for k point: 0.04426765441894531 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93392,7 +93428,7 @@ iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.04337739944458008 +elapsed time for k point: 0.04390740394592285 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93421,7 +93457,7 @@ iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.040366411209106445 +elapsed time for k point: 0.04480910301208496 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93450,7 +93486,7 @@ iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.04035377502441406 +elapsed time for k point: 0.08193397521972656 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93475,7 +93511,7 @@ iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.03409528732299805 +elapsed time for k point: 0.04818439483642578 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93500,7 +93536,7 @@ iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.03427743911743164 +elapsed time for k point: 0.05252504348754883 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93523,23 +93559,23 @@ iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.030719280242919922 +elapsed time for k point: 0.03521561622619629 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 -Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b01.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 -Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b02.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 -Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b03.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657 -Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b04.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168 -Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b05.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 -Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b06.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881 -Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b07.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 -Outputting fields to /tmp/meepREy4kN/test_tri_rods-0-e.k11.b08.z.tm.h5... +Outputting fields to /tmp/meepuUBjUW/test_tri_rods-0-e.k11.b08.z.tm.h5... solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93566,7 +93602,7 @@ iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.03717660903930664 +elapsed time for k point: 0.05981731414794922 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93595,7 +93631,7 @@ iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.04021811485290527 +elapsed time for k point: 0.058383941650390625 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -93626,7 +93662,7 @@ iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.04340171813964844 +elapsed time for k point: 0.0737299919128418 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93665,7 +93701,7 @@ iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.05616903305053711 +elapsed time for k point: 0.06363224983215332 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -93702,7 +93738,7 @@ iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.04411506652832031 +elapsed time for k point: 0.05556082725524902 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> @@ -93716,7 +93752,7 @@ Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% -total elapsed time for run: 0.7271378040313721 +total elapsed time for run: 0.9103736877441406 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) @@ -93766,7 +93802,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0015120506286621094 +elapsed time for initialization: 0.0015163421630859375 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... @@ -93885,7 +93921,7 @@ iteration 56: trace = 6.205337647125866 (6.95189e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 -elapsed time for k point: 0.1497490406036377 +elapsed time for k point: 0.1624436378479004 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -93952,7 +93988,7 @@ iteration 31: trace = 6.070460070673303 (7.67843e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 -elapsed time for k point: 0.10065174102783203 +elapsed time for k point: 0.12311744689941406 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94015,7 +94051,7 @@ iteration 29: trace = 5.856237734706174 (2.87099e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 -elapsed time for k point: 0.09404301643371582 +elapsed time for k point: 0.13172197341918945 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94070,7 +94106,7 @@ iteration 25: trace = 5.679316226598069 (4.88088e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 -elapsed time for k point: 0.08135390281677246 +elapsed time for k point: 0.08404660224914551 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94121,7 +94157,7 @@ iteration 23: trace = 5.567356944539206 (5.39222e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 -elapsed time for k point: 0.07503366470336914 +elapsed time for k point: 0.0792229175567627 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94170,7 +94206,7 @@ iteration 22: trace = 5.529271313719439 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 -elapsed time for k point: 0.07184863090515137 +elapsed time for k point: 0.07693862915039062 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94223,7 +94259,7 @@ iteration 24: trace = 5.53215360606891 (8.05311e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 -elapsed time for k point: 0.07804155349731445 +elapsed time for k point: 0.08248448371887207 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94276,7 +94312,7 @@ iteration 24: trace = 5.534695993739176 (6.50404e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 -elapsed time for k point: 0.07812023162841797 +elapsed time for k point: 0.0819234848022461 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94327,7 +94363,7 @@ iteration 23: trace = 5.527140023966947 (5.31897e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 -elapsed time for k point: 0.07517600059509277 +elapsed time for k point: 0.0780019760131836 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94376,7 +94412,7 @@ iteration 22: trace = 5.514581486526159 (5.58717e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 -elapsed time for k point: 0.07211613655090332 +elapsed time for k point: 0.1079859733581543 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94419,7 +94455,7 @@ iteration 19: trace = 5.508642232131606 (7.07332e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 -elapsed time for k point: 0.06235837936401367 +elapsed time for k point: 0.12839937210083008 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94466,7 +94502,7 @@ iteration 21: trace = 5.538947612933673 (6.49263e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 -elapsed time for k point: 0.06890177726745605 +elapsed time for k point: 0.17710018157958984 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. @@ -94515,7 +94551,7 @@ iteration 22: trace = 5.636892705526574 (7.80263e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 -elapsed time for k point: 0.07238912582397461 +elapsed time for k point: 0.15710735321044922 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94574,7 +94610,7 @@ iteration 27: trace = 5.807436111839939 (8.667e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 -elapsed time for k point: 0.0878603458404541 +elapsed time for k point: 0.13059735298156738 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94645,7 +94681,7 @@ iteration 33: trace = 6.03914874547851 (4.55623e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 -elapsed time for k point: 0.10661005973815918 +elapsed time for k point: 0.26883959770202637 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. @@ -94720,7 +94756,7 @@ iteration 35: trace = 6.205337647122201 (8.2916e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 -elapsed time for k point: 0.09411120414733887 +elapsed time for k point: 0.10714054107666016 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675777 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4730722390280759 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714032 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839753 at Vector3<0.0, 0.0, 0.0> @@ -94731,7 +94767,7 @@ Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.1168107191255356 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714032) to band 3 (0.5631505198559037), 0.007916844195590661% Gap from band 4 (0.8214230044191522) to band 5 (0.865194814441527), 5.190483526605094% -total elapsed time for run: 1.3710074424743652 +total elapsed time for run: 1.9797706604003906 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors @@ -94741,9 +94777,9 @@ Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 -./tmp/meepREy4kN/test_tri_rods-0: 2.11s +./tmp/meepuUBjUW/test_tri_rods-0: 2.90s -/tmp/meepREy4kN/test_triangular_lattice-0 +/tmp/meepuUBjUW/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance @@ -94786,7 +94822,7 @@ Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> -elapsed time for initialization: 0.0014548301696777344 +elapsed time for initialization: 0.0014820098876953125 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... @@ -94841,7 +94877,7 @@ iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 -elapsed time for k point: 0.06618070602416992 +elapsed time for k point: 0.07219076156616211 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -94882,7 +94918,7 @@ iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 -elapsed time for k point: 0.06033587455749512 +elapsed time for k point: 0.06438016891479492 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94917,7 +94953,7 @@ iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 -elapsed time for k point: 0.05080246925354004 +elapsed time for k point: 0.05670285224914551 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94950,7 +94986,7 @@ iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 -elapsed time for k point: 0.04791831970214844 +elapsed time for k point: 0.05390620231628418 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -94981,7 +95017,7 @@ iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 -elapsed time for k point: 0.04458332061767578 +elapsed time for k point: 0.047020673751831055 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95012,7 +95048,7 @@ iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 -elapsed time for k point: 0.044484615325927734 +elapsed time for k point: 0.048957109451293945 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95041,7 +95077,7 @@ iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 -elapsed time for k point: 0.041573286056518555 +elapsed time for k point: 0.04481816291809082 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95070,7 +95106,7 @@ iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 -elapsed time for k point: 0.04140472412109375 +elapsed time for k point: 0.04480576515197754 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95095,7 +95131,7 @@ iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 -elapsed time for k point: 0.03475499153137207 +elapsed time for k point: 0.03725838661193848 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95120,7 +95156,7 @@ iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 -elapsed time for k point: 0.03496956825256348 +elapsed time for k point: 0.03775382041931152 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95143,7 +95179,7 @@ iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 -elapsed time for k point: 0.03137016296386719 +elapsed time for k point: 0.03371620178222656 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95170,7 +95206,7 @@ iteration 11: trace = 4.1978540503093 (1.3266e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 -elapsed time for k point: 0.037930965423583984 +elapsed time for k point: 0.03794240951538086 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95199,7 +95235,7 @@ iteration 12: trace = 4.283266488990684 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 -elapsed time for k point: 0.04100298881530762 +elapsed time for k point: 0.042270660400390625 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. @@ -95230,7 +95266,7 @@ iteration 13: trace = 4.410102274545239 (2.51544e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 -elapsed time for k point: 0.044402122497558594 +elapsed time for k point: 0.045470237731933594 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. @@ -95269,7 +95305,7 @@ iteration 17: trace = 4.534517622757202 (7.84853e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 -elapsed time for k point: 0.05785512924194336 +elapsed time for k point: 0.05890941619873047 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. @@ -95362,10 +95398,10 @@ AssertionError: -0.9945407488966614 != -0.9950905165813099 within 3 places (0.0005497676846484278 difference) ---------------------------------------------------------------------- -Ran 47 tests in 262.204s +Ran 47 tests in 520.819s FAILED (failures=5) -elapsed time for k point: 0.04467511177062988 +elapsed time for k point: 0.046523332595825195 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797745 at Vector3<0.0, 0.0, 0.0> @@ -95379,37 +95415,39 @@ Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% -total elapsed time for run: 0.7268800735473633 +total elapsed time for run: 0.7752690315246582 done -/tmp/meepREy4kN/test_triangular_lattice-0: 0.73s +/tmp/meepuUBjUW/test_triangular_lattice-0: 0.78s -/tmp/meepREy4kN/test_update_band_range_data-0 +/tmp/meepuUBjUW/test_update_band_range_data-0 ======================== -/tmp/meepREy4kN/test_update_band_range_data-0: 0.00s +/tmp/meepuUBjUW/test_update_band_range_data-0: 0.00s -Elapsed run time = 262.2308 s +Elapsed run time = 520.8790 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_multilevel_atom ================================ -Matplotlib created a temporary cache directory at /tmp/matplotlib-62qog9rq because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-f2jik2et because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... -time for choose_chunkdivision = 3.50475e-05 s +time for choose_chunkdivision = 3.19481e-05 s Working in 1D dimensions. Computational cell is 0 x 0 x 3 with resolution 40 block, center = (0,0,-1) size (1e+20,1e+20,1) axes (1,0,0), (0,1,0), (0,0,1) dielectric constant epsilon diagonal = (2.25,2.25,2.25) -time for set_epsilon = 8.70228e-05 s +time for set_epsilon = 6.29425e-05 s multilevel atom susceptibility ----------- -Meep progress: 3000.4875/7000.0 = 42.9% done in 4.0s, 5.3s to go -on time step 240039 (time=3000.49), 1.66641e-05 s/step -Meep progress: 6001.725/7000.0 = 85.7% done in 8.0s, 1.3s to go -on time step 480141 (time=6001.76), 1.66597e-05 s/step +Meep progress: 2003.275/7000.0 = 28.6% done in 4.0s, 10.0s to go +on time step 160262 (time=2003.28), 2.49777e-05 s/step +Meep progress: 3421.8/7000.0 = 48.9% done in 8.0s, 8.4s to go +on time step 273747 (time=3421.84), 3.52471e-05 s/step +Meep progress: 4783.225/7000.0 = 68.3% done in 12.0s, 5.6s to go +on time step 382658 (time=4783.23), 3.67896e-05 s/step F ====================================================================== FAIL: test_multilevel_atom (__main__.TestMultiLevelAtom.test_multilevel_atom) @@ -95432,11 +95470,11 @@ AssertionError: -0.04452311652305546 != -2.7110969214986387 within 7 places (2.666573804975583 difference) ---------------------------------------------------------------------- -Ran 1 test in 9.333s +Ran 1 test in 15.581s FAILED (failures=1) -Elapsed run time = 9.3348 s +Elapsed run time = 15.5832 s FAIL tests/test_multilevel_atom.py (exit status: 1) FAIL: tests/test_refl_angular @@ -95451,11 +95489,11 @@ FAIL: tests/test_ring ===================== -Matplotlib created a temporary cache directory at /tmp/matplotlib-44b8qz88 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary cache directory at /tmp/matplotlib-ro4v5jse because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... Halving computational cell along direction y -time for choose_chunkdivision = 0.000152826 s +time for choose_chunkdivision = 0.000144958 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) @@ -95464,10 +95502,10 @@ cylinder, center = (0,0,0) radius 1, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (1,1,1) -time for set_epsilon = 0.025064 s +time for set_epsilon = 0.061486 s ----------- -Meep: using output directory '/tmp/meepxrUs6c' -creating output file "/tmp/meepxrUs6c/test_ring-eps-000000.00.h5"... +Meep: using output directory '/tmp/meepxbUgxQ' +creating output file "/tmp/meepxbUgxQ/test_ring-eps-000000.00.h5"... F ====================================================================== FAIL: test_harminv (__main__.TestRing.test_harminv) @@ -95478,7 +95516,7 @@ AssertionError: -0.0031020183525550154 != -0.00304951667301 within 4 places (5.250167954501525e-05 difference) ---------------------------------------------------------------------- -Ran 1 test in 1.185s +Ran 1 test in 2.788s FAILED (failures=1) harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error @@ -95487,7 +95525,7 @@ harminv0:, 0.17525083979308353, -4.9446086493087175e-05, 1772.1406507831973, 0.007182967821382197, -0.000788530544160479-0.00713955504943677i, 7.57711145955344e-07+0.0i run 0 finished at t = 400.0 (8000 timesteps) -Elapsed run time = 1.1865 s +Elapsed run time = 2.7945 s FAIL tests/test_ring.py (exit status: 1) FAIL: tests/test_special_kz @@ -95525,7 +95563,7 @@ make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.25.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.30.0.0 /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.30.0.0 libmeep.so.30 || { rm -f libmeep.so.30 && ln -s libmeep.so.30.0.0 libmeep.so.30; }; }) libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.30.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.30.0.0 libmeep.so; }; }) @@ -95555,7 +95593,7 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' - /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' + /bin/sh ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.25.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/share/meep' @@ -95567,9 +95605,9 @@ make[3]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' - /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' + /bin/sh ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: warning: relinking 'libpympb.la' -libtool: install: (cd /build/reproducible-path/meep-1.25.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.25.0/libpympb; /bin/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.30 -o .libs/libpympb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.30.0.0 libpympb.so.30 || { rm -f libpympb.so.30 && ln -s libpympb.so.30.0.0 libpympb.so.30; }; }) @@ -95589,9 +95627,9 @@ make[4]: Entering directory '/build/reproducible-path/meep-1.25.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.25.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' - /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' + /bin/sh ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep' libtool: warning: relinking '_meep.la' -libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.12/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.30 -o .libs/_meep.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/_meep.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep && { ln -s -f _meep.so.30.0.0 _meep.so.30 || { rm -f _meep.so.30 && ln -s _meep.so.30.0.0 _meep.so.30; }; }) @@ -95614,9 +95652,9 @@ Byte-compiling python modules (optimized versions) ... __init__.pybinary_partition_utils.pychunk_balancer.pygeom.pysimulation.pysource.pytiming_measurements.pyvisualization.pymaterials.pyverbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' - /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' + /bin/sh ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' -libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/bash "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) +libtool: install: (cd /build/reproducible-path/meep-1.25.0/python; /bin/sh "/build/reproducible-path/meep-1.25.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.25.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 30:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.12/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.25.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -fstack-protector-strong -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.30 -o .libs/_mpb.so.30.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.30.0.0T /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb/_mpb.so.30.0.0 libtool: install: (cd /build/reproducible-path/meep-1.25.0/debian/tmp/usr/lib/python3.12/site-packages/meep/mpb && { ln -s -f _mpb.so.30.0.0 _mpb.so.30 || { rm -f _mpb.so.30 && ln -s _mpb.so.30.0.0 _mpb.so.30; }; }) @@ -95690,21 +95728,21 @@ diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.30.0.0 contains an unresolvable reference to symbol PyUnicode_AsUTF8AndSize: it's probably a plugin -dpkg-shlibdeps: warning: 97 other similar warnings have been skipped (use -v to see them all) -dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.30.0.0 contains an unresolvable reference to symbol PyFunction_Type: it's probably a plugin +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.30.0.0 contains an unresolvable reference to symbol PyObject_HasAttrString: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) +dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.30.0.0 contains an unresolvable reference to symbol PyObject_IsTrue: it's probably a plugin +dpkg-shlibdeps: warning: 97 other similar warnings have been skipped (use -v to see them all) dh_installdeb dh_gencontrol dh_md5sums dh_builddeb dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.25.0-4_arm64.deb'. -dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.25.0-4_arm64.deb'. dpkg-deb: building package 'meep' in '../meep_1.25.0-4_arm64.deb'. +dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.25.0-4_arm64.deb'. dpkg-deb: building package 'libmeep30-dbgsym' in '../libmeep30-dbgsym_1.25.0-4_arm64.deb'. -dpkg-deb: building package 'libmeep30' in '../libmeep30_1.25.0-4_arm64.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.25.0-4_arm64.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.25.0-4_arm64.deb'. +dpkg-deb: building package 'libmeep30' in '../libmeep30_1.25.0-4_arm64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.25.0-4_arm64.buildinfo dpkg-genchanges --build=binary -O../meep_1.25.0-4_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -95712,12 +95750,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/3798377/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/2107519 and its subdirectories -I: Current time: Fri Sep 27 20:28:12 -12 2024 -I: pbuilder-time-stamp: 1727512092 +I: removing directory /srv/workspace/pbuilder/3798377 and its subdirectories +I: Current time: Sat Nov 1 05:59:27 +14 2025 +I: pbuilder-time-stamp: 1761926367 Compressing the 2nd log... /var/lib/jenkins/userContent/reproducible/debian/logdiffs/trixie/arm64/meep_1.25.0-4.diff: 87.6% -- replaced with /var/lib/jenkins/userContent/reproducible/debian/logdiffs/trixie/arm64/meep_1.25.0-4.diff.gz b2/build.log: 84.7% -- replaced with stdout Compressing the 1st log... b1/build.log: 84.8% -- replaced with stdout Sat Sep 28 09:36:34 UTC 2024 I: diffoscope 278 will be used to compare the two builds: ++ date -u +%s + DIFFOSCOPE_STAMP=/var/log/reproducible-builds/diffoscope_stamp_meep_trixie_arm64_1727516194 + touch /var/log/reproducible-builds/diffoscope_stamp_meep_trixie_arm64_1727516194 + RESULT=0 + systemd-run '--description=diffoscope on meep/1.25.0-4 in trixie/arm64' --slice=rb-build-diffoscope.slice -u rb-diffoscope-arm64_7-37883 '--property=SuccessExitStatus=1 124' --user --send-sighup --pipe --wait -E TMPDIR timeout 155m nice schroot --directory /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH --run-session -c jenkins-reproducible-trixie-diffoscope-c97ed181-bbdf-4a8a-82a1-5976b63a8de2 -- sh -c 'export TMPDIR=/srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/dbd-tmp-5VaC2jp ; timeout 150m diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/meep_1.25.0-4.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/meep_1.25.0-4.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/meep_1.25.0-4.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b1/meep_1.25.0-4_arm64.changes /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b2/meep_1.25.0-4_arm64.changes' + false + set +x Running as unit: rb-diffoscope-arm64_7-37883.service Warning: program compiled against libxml 212 using older 209 # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/meep_1.25.0-4.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/meep_1.25.0-4.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/meep_1.25.0-4.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b1/meep_1.25.0-4_arm64.changes /srv/reproducible-results/rbuild-debian/r-b-build.86QOyszH/b2/meep_1.25.0-4_arm64.changes ## command (total time: 0.000s) 0.000s 1 call cmp (internal) ## has_same_content_as (total time: 0.000s) 0.000s 1 call abc.DotChangesFile ## main (total time: 0.504s) 0.504s 2 calls outputs 0.000s 1 call cleanup ## recognizes (total time: 0.143s) 0.143s 12 calls diffoscope.comparators.binary.FilesystemFile ## specialize (total time: 0.000s) 0.000s 1 call specialize Finished with result: success Main processes terminated with: code=exited/status=0 Service runtime: 826ms CPU time consumed: 827ms _ __ ___ ___ ___ _ __ | '_ ` _ \ / _ \/ _ \ '_ \ | | | | | | __/ __/ |_) | |_| |_| |_|\___|\___| .__/ |_| Sat Sep 28 09:36:35 UTC 2024 I: diffoscope 278 found no differences in the changes files, and a .buildinfo file also exists. Sat Sep 28 09:36:35 UTC 2024 I: meep from trixie built successfully and reproducibly on arm64. INSERT 0 1 INSERT 0 1 DELETE 1 [2024-09-28 09:36:36] INFO: Starting at 2024-09-28 09:36:36.062754 [2024-09-28 09:36:36] INFO: Generating the pages of 1 package(s) [2024-09-28 09:36:36] CRITICAL: https://tests.reproducible-builds.org/debian/trixie/arm64/meep didn't produce a buildlog, even though it has been built. [2024-09-28 09:36:36] INFO: Finished at 2024-09-28 09:36:36.624132, took: 0:00:00.561385 Sat Sep 28 09:36:36 UTC 2024 - successfully updated the database and updated https://tests.reproducible-builds.org/debian/rb-pkg/trixie/arm64/meep.html Sat Sep 28 09:36:36 UTC 2024 I: Submitting .buildinfo files to external archives: Sat Sep 28 09:36:36 UTC 2024 I: Submitting 16K b1/meep_1.25.0-4_arm64.buildinfo.asc https://buildinfo.debian.net/bf0c141b77278455c359b22723163b142579e976/meep_1.25.0-4_arm64 Sat Sep 28 09:36:37 UTC 2024 I: Submitting 16K b2/meep_1.25.0-4_arm64.buildinfo.asc https://buildinfo.debian.net/2ae65b69d8f3a154534a7233657267043cd63b2a/meep_1.25.0-4_arm64 Sat Sep 28 09:36:38 UTC 2024 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Sat Sep 28 09:36:38 UTC 2024 I: Done submitting .buildinfo files. Sat Sep 28 09:36:38 UTC 2024 I: Removing signed meep_1.25.0-4_arm64.buildinfo.asc files: removed './b1/meep_1.25.0-4_arm64.buildinfo.asc' removed './b2/meep_1.25.0-4_arm64.buildinfo.asc' 1727516198 arm64 trixie meep Starting cleanup. /var/lib/jenkins/userContent/reproducible/debian/rbuild/trixie/arm64/meep_1.25.0-4.rbuild.log: 84.7% -- replaced with /var/lib/jenkins/userContent/reproducible/debian/rbuild/trixie/arm64/meep_1.25.0-4.rbuild.log.gz [2024-09-28 09:36:39] INFO: Starting at 2024-09-28 09:36:39.127949 [2024-09-28 09:36:39] INFO: Generating the pages of 1 package(s) [2024-09-28 09:36:39] INFO: Finished at 2024-09-28 09:36:39.664609, took: 0:00:00.536668 All cleanup done. Sat Sep 28 09:36:39 UTC 2024 - total duration: 1h 41m 3s. Sat Sep 28 09:36:39 UTC 2024 - reproducible_build.sh stopped running as /tmp/jenkins-script-KWVyjNUG, removing. Finished with result: success Main processes terminated with: code=exited/status=0 Service runtime: 1h 41min 7.720s CPU time consumed: 11.671s